##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section B. It has been peer reviewed under the auspices  #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary may be obtained from        #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#           Copyright International Union of Crystallography                 #
#                                                                            #
##############################################################################

data_kc
_audit_creation_method     'WinGX routine CIF_UPDATE'
_audit_conform_dict_name     cif_core.dic
_audit_conform_dict_version     2.3
_journal_date_recd_electronic     2005-08-10
_journal_date_accepted     2005-10-09
_journal_name_full     'Acta Crystallographica, Section B'
_journal_year     2005
_journal_volume     61
_journal_issue      6
_journal_page_first     663
_journal_page_last     668
_journal_paper_category     FA
_journal_coeditor_code     DE5022
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety     'H4 Cl1 Na9 O20 S4'
_chemical_formula_sum     'Cl1 H4 Na9 O20 S4'
_chemical_formula_weight     694.63
_symmetry_cell_setting     tetragonal
_symmetry_space_group_name_H-M     'P 4/n'
_symmetry_space_group_name_Hall     '-P 4a'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y+1/2, z'
    '-y+1/2, x, z'
    'y, -x+1/2, z'
    '-x, -y, -z'
    'x-1/2, y-1/2, -z'
    'y-1/2, -x, -z'
    '-y, x-1/2, -z'
_cell_length_a     29.6829(3)
_cell_length_b     29.6829(3)
_cell_length_c     8.40180(10)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     7402.61(14)
_cell_formula_units_Z     16
_cell_measurement_reflns_used     87529
_cell_measurement_theta_min     1.018
_cell_measurement_theta_max     27.485
_cell_measurement_temperature     150(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.1
_exptl_crystal_size_mid     0.1
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     2.493
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     5504
_exptl_absorpt_coefficient_mu     0.973
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
 R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_absorpt_correction_T_min     0.909
_exptl_absorpt_correction_T_max     0.953
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     KappaCCD
_diffrn_measurement_device     '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method     'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean     9
_diffrn_reflns_number     65291
_diffrn_reflns_av_R_equivalents     0.0904
_diffrn_reflns_theta_min     1.37
_diffrn_reflns_theta_max     27.45
_diffrn_reflns_theta_full     27.45
_diffrn_measured_fraction_theta_max     0.992
_diffrn_measured_fraction_theta_full     0.992
_diffrn_reflns_limit_h_min     -38
_diffrn_reflns_limit_h_max     37
_diffrn_reflns_limit_k_min     -38
_diffrn_reflns_limit_k_max     38
_diffrn_reflns_limit_l_min     -10
_diffrn_reflns_limit_l_max     10
_diffrn_reflns_reduction_process
;
 Scaled and merged with SORTAV
 R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     8402
_reflns_number_gt     4855
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1108
_refine_ls_R_factor_gt     0.0605
_refine_ls_wR_factor_gt     0.1236
_refine_ls_wR_factor_ref     0.1466
_refine_ls_goodness_of_fit_ref     1.236
_refine_ls_restrained_S_all     1.236
_refine_ls_number_reflns     8402
_refine_ls_number_parameters     649
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
        'calc w=1/[σ²(Fo²)+(0.0244P)²+19.2938P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.011
_refine_ls_shift/su_mean     0.002
_refine_diff_density_max     0.587
_refine_diff_density_min     -0.534
_refine_ls_extinction_method     none
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'Collect (Nonius BV, 1997-2000)'
_computing_cell_refinement     'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
                             'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution     'SIR92 (Giacovazzo et al, 1993)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
                                   'WinGX publication routines (Farrugia, 1999)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Cl1 0.5 0.5 0.5 0.0199(4) Uani d S 1 . . Cl
    Cl2 0.25 0.25 0.4967(2) 0.0221(5) Uani d S 1 . . Cl
    Cl3 0.50129(4) 0.24869(4) -0.00132(10) 0.01858(19) Uani d . 1 . . Cl
    Cl4 0.75 0.25 0.5 0.0171(5) Uani d S 1 . . Cl
    Na1 0.44071(5) 0.69788(5) 0.18103(18) 0.0174(3) Uani d . 1 . . Na
    Na2 0.56244(5) 0.67803(5) 0.21408(18) 0.0188(3) Uani d . 1 . . Na
    Na3 0.68905(5) 0.68139(5) 0.3066(2) 0.0193(4) Uani d . 1 . . Na
    Na4 0.43877(5) 0.55061(5) 0.32099(19) 0.0167(3) Uani d . 1 . . Na
    Na5 0.55257(5) 0.55940(5) 0.32492(19) 0.0178(3) Uani d . 1 . . Na
    Na6 0.69977(5) 0.56102(5) 0.18434(18) 0.0169(3) Uani d . 1 . . Na
    Na7 0.43867(5) 0.42897(5) 0.2925(2) 0.0201(4) Uani d . 1 . . Na
    Na8 0.56912(5) 0.43795(5) 0.2956(2) 0.0215(4) Uani d . 1 . . Na
    Na9 0.68833(5) 0.44778(5) 0.18338(19) 0.0179(3) Uani d . 1 . . Na
    Na10 0.30152(5) 0.31147(5) 0.31134(19) 0.0178(3) Uani d . 1 . . Na
    Na11 0.44919(5) 0.30913(5) 0.17069(17) 0.0158(3) Uani d . 1 . . Na
    Na12 0.57066(5) 0.31119(5) 0.20173(19) 0.0205(4) Uani d . 1 . . Na
    Na13 0.69097(5) 0.30080(5) 0.32344(18) 0.0158(3) Uani d . 1 . . Na
    Na14 0.43117(5) 0.18784(5) 0.1989(2) 0.0199(4) Uani d . 1 . . Na
    Na15 0.56092(5) 0.18157(5) 0.19786(19) 0.0195(3) Uani d . 1 . . Na
    Na16 0.68755(5) 0.17876(5) 0.29231(19) 0.0190(3) Uani d . 1 . . Na
    Na17 0.5 0.5 0 0.0168(6) Uani d S 1 . . Na
    Na18 0.25 0.25 -0.0227(4) 0.0168(7) Uani d S 1 . . Na
    Na19 0.50038(5) 0.24998(5) 0.48907(16) 0.0173(3) Uani d . 1 . . Na
    Na20 0.75 0.25 0 0.0169(8) Uani d S 1 . . Na
    O1 0.57626(9) 0.50738(9) -0.1411(3) 0.0168(6) Uani d . 1 . . O
    O2 0.57508(9) 0.50595(9) 0.1443(3) 0.0164(6) Uani d . 1 . . O
    O3 0.63396(10) 0.54737(10) 0.0057(3) 0.0167(7) Uani d . 1 . . O
    O4 0.63297(11) 0.46536(10) 0.0031(3) 0.0194(7) Uani d . 1 . . O
    O5 0.61719(10) 0.54852(10) 0.5058(3) 0.0174(7) Uani d . 1 . . O
    O6 0.61645(10) 0.46682(10) 0.4978(3) 0.0176(7) Uani d . 1 . . O
    O7 0.67484(9) 0.50791(9) 0.3611(3) 0.0172(6) Uani d . 1 . . O
    O8 0.67405(9) 0.50580(9) 0.6461(3) 0.0181(6) Uani d . 1 . . O
    O9 0.46628(10) 0.38335(11) 0.5001(3) 0.0180(7) Uani d . 1 . . O
    O10 0.54772(10) 0.38354(10) 0.4994(3) 0.0174(7) Uani d . 1 . . O
    O11 0.50646(9) 0.32504(9) 0.6376(3) 0.0167(6) Uani d . 1 . . O
    O12 0.50694(9) 0.32678(9) 0.3522(3) 0.0163(6) Uani d . 1 . . O
    O13 0.46711(10) 0.36584(10) -0.0050(3) 0.0163(7) Uani d . 1 . . O
    O14 0.54846(10) 0.36687(10) -0.0006(3) 0.0169(7) Uani d . 1 . . O
    O15 0.50595(9) 0.42416(9) 0.1387(3) 0.0169(6) Uani d . 1 . . O
    O16 0.50710(9) 0.42446(9) -0.1450(3) 0.0161(6) Uani d . 1 . . O
    O17 0.38332(10) 0.29828(10) -0.0111(3) 0.0174(7) Uani d . 1 . . O
    O18 0.38381(10) 0.21691(10) -0.0027(3) 0.0167(7) Uani d . 1 . . O
    O19 0.32545(8) 0.25809(9) 0.1334(3) 0.0157(6) Uani d . 1 . . O
    O20 0.32640(9) 0.25577(9) -0.1516(3) 0.0159(6) Uani d . 1 . . O
    O21 0.36625(10) 0.29802(10) 0.4889(3) 0.0164(7) Uani d . 1 . . O
    O22 0.36655(10) 0.21632(10) 0.4923(3) 0.0142(7) Uani d . 1 . . O
    O23 0.42375(9) 0.25776(8) 0.6362(3) 0.0157(6) Uani d . 1 . . O
    O24 0.42485(9) 0.25628(9) 0.3501(3) 0.0152(6) Uani d . 1 . . O
    O25 0.63388(11) 0.28343(11) 0.5002(3) 0.0186(7) Uani d . 1 . . O
    O26 0.63342(10) 0.20204(10) 0.4957(3) 0.0165(7) Uani d . 1 . . O
    O27 0.57612(9) 0.24391(8) 0.3556(3) 0.0156(6) Uani d . 1 . . O
    O28 0.57583(9) 0.24263(8) 0.6402(3) 0.0149(6) Uani d . 1 . . O
    O29 0.61650(11) 0.28337(10) -0.0048(3) 0.0160(7) Uani d . 1 . . O
    O30 0.61665(10) 0.20203(10) -0.0040(3) 0.0156(7) Uani d . 1 . . O
    O31 0.67499(9) 0.24349(9) -0.1431(3) 0.0158(6) Uani d . 1 . . O
    O32 0.67322(9) 0.24285(9) 0.1428(3) 0.0158(6) Uani d . 1 . . O
    O33 0.38864(9) 0.64518(8) 0.2992(3) 0.0181(6) Uani d . 1 . . O
    O34 0.38725(9) 0.60382(8) 0.2042(3) 0.0193(6) Uani d . 1 . . O
    O35 0.60498(8) 0.61115(9) 0.2063(3) 0.0186(6) Uani d . 1 . . O
    O36 0.64643(8) 0.61274(9) 0.3010(3) 0.0190(6) Uani d . 1 . . O
    O37 0.35516(8) 0.36249(8) 0.1936(3) 0.0165(6) Uani d . 1 . . O
    O38 0.39644(8) 0.36147(9) 0.2892(3) 0.0177(6) Uani d . 1 . . O
    O39 0.63763(9) 0.39457(8) 0.3008(3) 0.0189(6) Uani d . 1 . . O
    O40 0.63859(9) 0.35339(8) 0.2061(3) 0.0196(6) Uani d . 1 . . O
    S1 0.60498(4) 0.50632(4) 0.00275(9) 0.0114(2) Uani d . 1 . . S
    S2 0.64521(4) 0.50688(4) 0.50257(9) 0.0113(2) Uani d . 1 . . S
    S3 0.50636(4) 0.35506(4) 0.49707(10) 0.0126(2) Uani d . 1 . . S
    S4 0.50693(4) 0.39517(4) -0.00308(10) 0.0122(2) Uani d . 1 . . S
    S5 0.35487(4) 0.25691(4) -0.00769(10) 0.0114(2) Uani d . 1 . . S
    S6 0.39513(4) 0.25690(4) 0.49202(10) 0.0113(2) Uani d . 1 . . S
    S7 0.60486(4) 0.24334(4) 0.49809(9) 0.0122(2) Uani d . 1 . . S
    S8 0.64508(4) 0.24332(4) -0.00216(9) 0.0121(2) Uani d . 1 . . S
    H33 0.4078(19) 0.6337(18) 0.388(7) 0.060(18) Uiso d . 1 . . H
    H34 0.4035(17) 0.6108(18) 0.107(7) 0.052(16) Uiso d . 1 . . H
    H35 0.6148(14) 0.5935(14) 0.134(5) 0.023(12) Uiso d . 1 . . H
    H36 0.6391(16) 0.5975(17) 0.378(6) 0.038(15) Uiso d . 1 . . H
    H37 0.3635(18) 0.3428(18) 0.110(7) 0.053(17) Uiso d . 1 . . H
    H38 0.388(2) 0.339(2) 0.369(10) 0.11(3) Uiso d . 1 . . H
    H39 0.6535(17) 0.3861(16) 0.386(6) 0.042(15) Uiso d . 1 . . H
    H40 0.658(2) 0.361(2) 0.108(9) 0.09(2) Uiso d . 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Cl1 Na5 5_666 2.7764(16) ?
    Cl1 Na5 . 2.7764(16) ?
    Cl1 Na4 5_666 2.7967(15) ?
    Cl1 Na4 . 2.7967(15) ?
    Cl1 Na8 5_666 3.2484(17) ?
    Cl1 Na8 . 3.2484(17) ?
    Cl1 Na7 . 3.2863(16) ?
    Cl1 Na7 5_666 3.2863(16) ?
    Cl2 Na10 2 2.8448(18) ?
    Cl2 Na10 3 2.8448(18) ?
    Cl2 Na10 4 2.8448(18) ?
    Cl2 Na10 . 2.8448(19) ?
    Cl2 Na3 5_666 3.1860(19) ?
    Cl2 Na3 6_556 3.1860(19) ?
    Cl2 Na3 8_656 3.1860(19) ?
    Cl2 Na3 7_566 3.1860(19) ?
    Cl3 Na11 . 2.7746(18) ?
    Cl3 Na1 5_665 2.7856(19) ?
    Cl3 Na9 8_655 2.7990(19) ?
    Cl3 Na6 8_655 2.8095(19) ?
    Cl3 Na15 . 3.1469(19) ?
    Cl3 Na14 . 3.2285(19) ?
    Cl3 Na12 . 3.2546(19) ?
    Cl4 Na13 7_666 2.7466(15) ?
    Cl4 Na13 8_656 2.7466(15) ?
    Cl4 Na13 2_655 2.7466(15) ?
    Cl4 Na13 . 2.7466(15) ?
    Cl4 Na16 . 3.3096(16) ?
    Cl4 Na16 8_656 3.3096(16) ?
    Cl4 Na16 2_655 3.3096(16) ?
    Cl4 Na16 7_666 3.3096(16) ?
    Na1 O11 5_666 2.290(3) ?
    Na1 O29 5_665 2.321(3) ?
    Na1 O28 5_666 2.370(3) ?
    Na1 O33 . 2.413(3) ?
    Na1 O14 5_665 2.469(3) ?
    Na1 Cl3 5_665 2.7856(19) ?
    Na1 Na12 5_665 3.245(2) ?
    Na1 Na9 4_565 3.384(2) ?
    Na1 Na19 5_666 3.624(2) ?
    Na1 Na2 . 3.672(2) ?
    Na1 Na16 3 3.680(2) ?
    Na2 O23 5_666 2.320(3) ?
    Na2 O35 . 2.353(3) ?
    Na2 O13 5_665 2.356(3) ?
    Na2 O11 5_666 2.397(3) ?
    Na2 O17 5_665 2.448(3) ?
    Na2 Na11 5_665 3.273(2) ?
    Na2 S3 5_666 3.3203(18) ?
    Na2 S6 5_666 3.3785(17) ?
    Na2 Na6 4_565 3.636(2) ?
    Na2 Na5 . 3.654(2) ?
    Na2 Na19 5_666 3.777(2) ?
    Na3 O20 5_665 2.321(3) ?
    Na3 O22 7_666 2.352(3) ?
    Na3 O20 7_665 2.382(3) ?
    Na3 O36 . 2.399(3) ?
    Na3 O21 5_666 2.453(3) ?
    Na3 Cl2 5_666 3.1860(19) ?
    Na3 Na10 5_666 3.229(3) ?
    Na3 S5 5_665 3.3709(18) ?
    Na3 Na18 5_665 3.621(3) ?
    Na3 Na6 . 3.731(2) ?
    Na3 Na3 3_655 3.852(2) ?
    Na4 O6 5_666 2.296(3) ?
    Na4 O16 5_665 2.306(3) ?
    Na4 O1 5_665 2.334(3) ?
    Na4 O34 . 2.408(3) ?
    Na4 O10 5_666 2.502(3) ?
    Na4 Na8 5_666 3.248(2) ?
    Na4 S2 5_666 3.3652(17) ?
    Na4 Na5 . 3.388(2) ?
    Na4 Na17 . 3.5822(15) ?
    Na4 Na7 . 3.618(2) ?
    Na4 Na15 3 3.731(2) ?
    Na5 O2 . 2.295(3) ?
    Na5 O9 5_666 2.315(3) ?
    Na5 O16 5_665 2.378(3) ?
    Na5 O35 . 2.403(3) ?
    Na5 O5 . 2.468(3) ?
    Na5 Na7 5_666 3.243(2) ?
    Na5 Na17 . 3.6051(15) ?
    Na5 Na8 . 3.647(2) ?
    Na5 H35 . 2.64(4) ?
    Na6 O7 . 2.289(3) ?
    Na6 O18 7_665 2.295(3) ?
    Na6 O23 7_666 2.333(3) ?
    Na6 O36 . 2.413(3) ?
    Na6 O3 . 2.496(3) ?
    Na6 Cl3 7_665 2.8095(19) ?
    Na6 Na14 7_665 3.247(2) ?
    Na6 S5 7_665 3.3632(17) ?
    Na6 Na9 . 3.378(2) ?
    Na6 Na19 7_666 3.615(2) ?
    Na6 Na2 3_655 3.636(2) ?
    Na6 H36 . 2.66(5) ?
    Na7 O1 5_665 2.320(3) ?
    Na7 O9 . 2.355(3) ?
    Na7 O38 . 2.363(3) ?
    Na7 O15 . 2.383(3) ?
    Na7 O5 5_666 2.463(3) ?
    Na7 Na5 5_666 3.243(2) ?
    Na7 S4 . 3.3584(19) ?
    Na7 Na17 . 3.7147(15) ?
    Na7 Na11 . 3.715(2) ?
    Na7 Na14 3 3.837(2) ?
    Na8 O15 . 2.328(3) ?
    Na8 O6 . 2.365(3) ?
    Na8 O2 . 2.392(3) ?
    Na8 O39 . 2.407(3) ?
    Na8 O10 . 2.438(3) ?
    Na8 Na4 5_666 3.248(2) ?
    Na8 S1 . 3.3620(18) ?
    Na8 S4 . 3.3639(18) ?
    Na8 Na9 . 3.674(2) ?
    Na8 Na17 . 3.7104(15) ?
    Na9 O4 . 2.295(3) ?
    Na9 O28 7_666 2.299(3) ?
    Na9 O7 . 2.361(3) ?
    Na9 O39 . 2.394(3) ?
    Na9 O30 7_665 2.469(3) ?
    Na9 Cl3 7_665 2.7990(19) ?
    Na9 Na15 7_665 3.220(2) ?
    Na9 S1 . 3.3829(18) ?
    Na9 Na1 3_655 3.384(2) ?
    Na9 Na19 7_666 3.645(2) ?
    Na10 O19 . 2.291(3) ?
    Na10 O22 3 2.295(3) ?
    Na10 O19 3 2.353(3) ?
    Na10 O37 . 2.410(3) ?
    Na10 O21 . 2.465(3) ?
    Na10 Na3 5_666 3.229(3) ?
    Na10 Na10 3 3.367(2) ?
    Na10 Na10 4 3.367(2) ?
    Na10 S6 3 3.3881(18) ?
    Na10 Na18 . 3.680(3) ?
    Na10 Na14 3 3.690(2) ?
    Na10 H37 . 2.67(6) ?
    Na11 O24 . 2.293(3) ?
    Na11 O13 . 2.301(3) ?
    Na11 O12 . 2.354(3) ?
    Na11 O38 . 2.420(3) ?
    Na11 O17 . 2.502(3) ?
    Na11 Na2 5_665 3.273(2) ?
    Na11 Na19 . 3.542(2) ?
    Na11 Na12 . 3.615(2) ?
    Na11 Na14 . 3.647(2) ?
    Na11 H38 . 2.63(8) ?
    Na12 O12 . 2.321(3) ?
    Na12 O29 . 2.355(3) ?
    Na12 O40 . 2.374(3) ?
    Na12 O27 . 2.384(3) ?
    Na12 O14 . 2.461(3) ?
    Na12 Na1 5_665 3.245(2) ?
    Na12 S7 . 3.3595(18) ?
    Na12 Na19 . 3.672(2) ?
    Na12 Na13 . 3.728(2) ?
    Na13 O31 7_665 2.290(3) ?
    Na13 O25 . 2.312(3) ?
    Na13 O32 . 2.354(3) ?
    Na13 O40 . 2.414(3) ?
    Na13 O26 7_666 2.496(3) ?
    Na13 Na16 7_666 3.267(2) ?
    Na13 Na20 . 3.5676(15) ?
    Na13 Na16 . 3.633(2) ?
    Na13 Na16 2_655 3.6658(19) ?
    Na14 O8 8_656 2.316(3) ?
    Na14 O18 . 2.364(3) ?
    Na14 O24 . 2.404(3) ?
    Na14 O37 4 2.406(3) ?
    Na14 O3 8_655 2.433(3) ?
    Na14 Na6 8_655 3.247(2) ?
    Na14 S2 8_656 3.3579(18) ?
    Na14 S6 . 3.3782(18) ?
    Na14 Na19 . 3.683(2) ?
    Na14 Na10 4 3.690(2) ?
    Na15 O27 . 2.321(3) ?
    Na15 O4 8_655 2.354(3) ?
    Na15 O8 8_656 2.385(3) ?
    Na15 O34 4 2.408(3) ?
    Na15 O30 . 2.446(3) ?
    Na15 Na9 8_655 3.220(2) ?
    Na15 S7 . 3.3804(18) ?
    Na15 Na19 . 3.652(2) ?
    Na15 Na4 4 3.731(2) ?
    Na15 Na16 . 3.843(2) ?
    Na16 O32 . 2.319(3) ?
    Na16 O25 8_656 2.357(3) ?
    Na16 O33 4 2.364(3) ?
    Na16 O31 8_655 2.403(3) ?
    Na16 O26 . 2.446(3) ?
    Na16 Na13 8_656 3.267(2) ?
    Na16 S8 8_655 3.3395(18) ?
    Na16 S8 . 3.3739(18) ?
    Na16 Na13 2_655 3.6658(19) ?
    Na16 Na1 4 3.680(2) ?
    Na17 O15 . 2.541(3) ?
    Na17 O15 5_665 2.541(3) ?
    Na17 O2 . 2.543(3) ?
    Na17 O2 5_665 2.543(3) ?
    Na17 O16 . 2.561(3) ?
    Na17 O16 5_665 2.561(3) ?
    Na17 O1 5_665 2.565(3) ?
    Na17 O1 . 2.565(3) ?
    Na17 S4 5_665 3.1186(11) ?
    Na17 S4 . 3.1186(11) ?
    Na17 S1 5_665 3.1218(11) ?
    Na17 S1 . 3.1218(11) ?
    Na18 O20 2 2.519(3) ?
    Na18 O20 4 2.519(3) ?
    Na18 O20 3 2.519(3) ?
    Na18 O20 . 2.519(3) ?
    Na18 O19 3 2.606(3) ?
    Na18 O19 . 2.607(3) ?
    Na18 O19 2 2.607(3) ?
    Na18 O19 4 2.607(3) ?
    Na18 S5 3 3.1223(11) ?
    Na18 S5 2 3.1223(11) ?
    Na18 S5 4 3.1223(11) ?
    Na18 S5 . 3.1223(11) ?
    Na19 O27 . 2.519(3) ?
    Na19 O8 8_656 2.531(3) ?
    Na19 O24 . 2.534(3) ?
    Na19 O11 . 2.560(3) ?
    Na19 O12 . 2.561(3) ?
    Na19 O7 8_656 2.573(3) ?
    Na19 O28 . 2.584(3) ?
    Na19 O23 . 2.599(3) ?
    Na19 S7 . 3.1086(19) ?
    Na19 S2 8_656 3.1181(19) ?
    Na19 S3 . 3.1249(19) ?
    Na19 S6 . 3.1308(19) ?
    Na20 O31 . 2.538(3) ?
    Na20 O31 7_665 2.538(3) ?
    Na20 O31 2_655 2.538(3) ?
    Na20 O31 8_655 2.538(3) ?
    Na20 O32 2_655 2.584(3) ?
    Na20 O32 8_655 2.584(3) ?
    Na20 O32 . 2.584(3) ?
    Na20 O32 7_665 2.584(3) ?
    Na20 S8 . 3.1206(11) ?
    Na20 S8 2_655 3.1206(11) ?
    Na20 S8 8_655 3.1206(11) ?
    Na20 S8 7_665 3.1206(11) ?
    O1 S1 . 1.479(3) ?
    O1 Na7 5_665 2.320(3) ?
    O1 Na4 5_665 2.334(3) ?
    O2 S1 . 1.484(3) ?
    O3 S1 . 1.492(3) ?
    O3 Na14 7_665 2.433(3) ?
    O4 S1 . 1.473(3) ?
    O4 Na15 7_665 2.354(3) ?
    O5 S2 . 1.490(3) ?
    O5 Na7 5_666 2.463(3) ?
    O6 S2 . 1.465(3) ?
    O6 Na4 5_666 2.296(3) ?
    O7 S2 . 1.479(3) ?
    O7 Na19 7_666 2.573(3) ?
    O8 S2 . 1.479(3) ?
    O8 Na14 7_666 2.316(3) ?
    O8 Na15 7_666 2.385(3) ?
    O8 Na19 7_666 2.531(3) ?
    O9 S3 . 1.456(3) ?
    O9 Na5 5_666 2.315(3) ?
    O10 S3 . 1.491(3) ?
    O10 Na4 5_666 2.502(3) ?
    O11 S3 . 1.479(3) ?
    O11 Na1 5_666 2.290(3) ?
    O11 Na2 5_666 2.397(3) ?
    O12 S3 . 1.479(3) ?
    O13 S4 . 1.468(3) ?
    O13 Na2 5_665 2.356(3) ?
    O14 S4 . 1.492(3) ?
    O14 Na1 5_665 2.469(3) ?
    O15 S4 . 1.470(3) ?
    O16 S4 . 1.475(3) ?
    O16 Na4 5_665 2.306(3) ?
    O16 Na5 5_665 2.378(3) ?
    O17 S5 . 1.491(3) ?
    O17 Na2 5_665 2.448(3) ?
    O18 S5 . 1.466(3) ?
    O18 Na6 8_655 2.295(3) ?
    O19 S5 . 1.473(3) ?
    O19 Na10 4 2.353(3) ?
    O20 S5 . 1.476(3) ?
    O20 Na3 5_665 2.321(3) ?
    O20 Na3 8_655 2.382(3) ?
    O21 S6 . 1.492(3) ?
    O21 Na3 5_666 2.453(3) ?
    O22 S6 . 1.473(3) ?
    O22 Na10 4 2.295(3) ?
    O22 Na3 8_656 2.352(3) ?
    O23 S6 . 1.480(3) ?
    O23 Na2 5_666 2.320(3) ?
    O23 Na6 8_656 2.333(3) ?
    O24 S6 . 1.483(3) ?
    O25 S7 . 1.469(3) ?
    O25 Na16 7_666 2.357(3) ?
    O26 S7 . 1.491(3) ?
    O26 Na13 8_656 2.496(3) ?
    O27 S7 . 1.470(3) ?
    O28 S7 . 1.473(3) ?
    O28 Na9 8_656 2.299(3) ?
    O28 Na1 5_666 2.370(3) ?
    O29 S8 . 1.460(3) ?
    O29 Na1 5_665 2.321(3) ?
    O30 S8 . 1.488(3) ?
    O30 Na9 8_655 2.469(3) ?
    O31 S8 . 1.480(3) ?
    O31 Na13 8_655 2.290(3) ?
    O31 Na16 7_665 2.403(3) ?
    O32 S8 . 1.477(3) ?
    O33 O34 . 1.465(3) ?
    O33 Na16 3 2.364(3) ?
    O33 H33 . 1.00(6) ?
    O34 Na15 3 2.408(3) ?
    O34 H34 . 0.97(6) ?
    O35 O36 . 1.466(4) ?
    O35 H35 . 0.85(5) ?
    O36 H36 . 0.82(5) ?
    O37 O38 . 1.465(3) ?
    O37 Na14 3 2.406(3) ?
    O37 H37 . 0.95(6) ?
    O38 H38 . 0.98(8) ?
    O39 O40 . 1.459(4) ?
    O39 H39 . 0.89(5) ?
    O40 H40 . 1.03(7) ?
    S2 Na19 7_666 3.1181(19) ?
    S2 Na14 7_666 3.3579(18) ?
    S2 Na4 5_666 3.3652(18) ?
    S3 Na2 5_666 3.3203(18) ?
    S5 Na6 8_655 3.3632(17) ?
    S5 Na3 5_665 3.3709(18) ?
    S6 Na2 5_666 3.3785(17) ?
    S6 Na10 4 3.3881(18) ?
    S8 Na16 7_665 3.3395(18) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Na5 Cl1 Na5 5_666 . 180.00(5) ?
    Na5 Cl1 Na4 5_666 5_666 74.88(4) ?
    Na5 Cl1 Na4 . 5_666 105.12(4) ?
    Na5 Cl1 Na4 5_666 . 105.12(4) ?
    Na5 Cl1 Na4 . . 74.88(4) ?
    Na4 Cl1 Na4 5_666 . 180 ?
    Na5 Cl1 Na8 5_666 5_666 74.03(4) ?
    Na5 Cl1 Na8 . 5_666 105.97(4) ?
    Na4 Cl1 Na8 5_666 5_666 115.50(4) ?
    Na4 Cl1 Na8 . 5_666 64.50(4) ?
    Na5 Cl1 Na8 5_666 . 105.97(4) ?
    Na5 Cl1 Na8 . . 74.03(4) ?
    Na4 Cl1 Na8 5_666 . 64.50(4) ?
    Na4 Cl1 Na8 . . 115.50(4) ?
    Na8 Cl1 Na8 5_666 . 180.0000(10) ?
    Na5 Cl1 Na7 5_666 . 64.04(4) ?
    Na5 Cl1 Na7 . . 115.96(4) ?
    Na4 Cl1 Na7 5_666 . 107.50(4) ?
    Na4 Cl1 Na7 . . 72.50(4) ?
    Na8 Cl1 Na7 5_666 . 107.12(4) ?
    Na8 Cl1 Na7 . . 72.88(4) ?
    Na5 Cl1 Na7 5_666 5_666 115.96(4) ?
    Na5 Cl1 Na7 . 5_666 64.04(4) ?
    Na4 Cl1 Na7 5_666 5_666 72.50(4) ?
    Na4 Cl1 Na7 . 5_666 107.50(4) ?
    Na8 Cl1 Na7 5_666 5_666 72.88(4) ?
    Na8 Cl1 Na7 . 5_666 107.12(4) ?
    Na7 Cl1 Na7 . 5_666 180.00(4) ?
    Na10 Cl2 Na10 2 3 72.57(4) ?
    Na10 Cl2 Na10 2 4 72.57(4) ?
    Na10 Cl2 Na10 3 4 113.63(9) ?
    Na10 Cl2 Na10 2 . 113.63(9) ?
    Na10 Cl2 Na10 3 . 72.57(4) ?
    Na10 Cl2 Na10 4 . 72.57(4) ?
    Na10 Cl2 Na3 2 5_666 177.61(6) ?
    Na10 Cl2 Na3 3 5_666 107.72(4) ?
    Na10 Cl2 Na3 4 5_666 105.27(4) ?
    Na10 Cl2 Na3 . 5_666 64.45(5) ?
    Na10 Cl2 Na3 2 6_556 64.45(5) ?
    Na10 Cl2 Na3 3 6_556 105.27(4) ?
    Na10 Cl2 Na3 4 6_556 107.72(4) ?
    Na10 Cl2 Na3 . 6_556 177.61(6) ?
    Na3 Cl2 Na3 5_666 6_556 117.51(8) ?
    Na10 Cl2 Na3 2 8_656 105.27(4) ?
    Na10 Cl2 Na3 3 8_656 177.61(6) ?
    Na10 Cl2 Na3 4 8_656 64.45(5) ?
    Na10 Cl2 Na3 . 8_656 107.72(4) ?
    Na3 Cl2 Na3 5_666 8_656 74.39(4) ?
    Na3 Cl2 Na3 6_556 8_656 74.39(4) ?
    Na10 Cl2 Na3 2 7_566 107.72(4) ?
    Na10 Cl2 Na3 3 7_566 64.45(5) ?
    Na10 Cl2 Na3 4 7_566 177.61(6) ?
    Na10 Cl2 Na3 . 7_566 105.27(4) ?
    Na3 Cl2 Na3 5_666 7_566 74.39(4) ?
    Na3 Cl2 Na3 6_556 7_566 74.39(4) ?
    Na3 Cl2 Na3 8_656 7_566 117.51(8) ?
    Na11 Cl3 Na1 . 5_665 104.99(6) ?
    Na11 Cl3 Na9 . 8_655 178.19(6) ?
    Na1 Cl3 Na9 5_665 8_655 74.60(5) ?
    Na11 Cl3 Na6 . 8_655 104.62(6) ?
    Na1 Cl3 Na6 5_665 8_655 113.86(5) ?
    Na9 Cl3 Na6 8_655 8_655 74.08(5) ?
    Na11 Cl3 Na15 . . 116.48(5) ?
    Na1 Cl3 Na15 5_665 . 107.52(5) ?
    Na9 Cl3 Na15 8_655 . 65.27(5) ?
    Na6 Cl3 Na15 8_655 . 109.52(5) ?
    Na11 Cl3 Na14 . . 74.40(5) ?
    Na1 Cl3 Na14 5_665 . 177.98(6) ?
    Na9 Cl3 Na14 8_655 . 105.95(5) ?
    Na6 Cl3 Na14 8_655 . 64.63(5) ?
    Na15 Cl3 Na14 . . 74.42(5) ?
    Na11 Cl3 Na12 . . 73.20(5) ?
    Na1 Cl3 Na12 5_665 . 64.44(5) ?
    Na9 Cl3 Na12 8_655 . 108.04(5) ?
    Na6 Cl3 Na12 8_655 . 176.36(6) ?
    Na15 Cl3 Na12 . . 74.11(5) ?
    Na14 Cl3 Na12 . . 116.98(5) ?
    Na13 Cl4 Na13 7_666 8_656 114.62(6) ?
    Na13 Cl4 Na13 7_666 2_655 106.96(3) ?
    Na13 Cl4 Na13 8_656 2_655 106.96(3) ?
    Na13 Cl4 Na13 7_666 . 106.96(3) ?
    Na13 Cl4 Na13 8_656 . 106.96(3) ?
    Na13 Cl4 Na13 2_655 . 114.62(6) ?
    Na13 Cl4 Na16 7_666 . 179.02(4) ?
    Na13 Cl4 Na16 8_656 . 64.51(4) ?
    Na13 Cl4 Na16 2_655 . 73.84(4) ?
    Na13 Cl4 Na16 . . 73.07(4) ?
    Na13 Cl4 Na16 7_666 8_656 73.84(4) ?
    Na13 Cl4 Na16 8_656 8_656 73.07(4) ?
    Na13 Cl4 Na16 2_655 8_656 64.51(4) ?
    Na13 Cl4 Na16 . 8_656 179.02(4) ?
    Na16 Cl4 Na16 . 8_656 106.14(2) ?
    Na13 Cl4 Na16 7_666 2_655 64.51(4) ?
    Na13 Cl4 Na16 8_656 2_655 179.02(4) ?
    Na13 Cl4 Na16 2_655 2_655 73.07(4) ?
    Na13 Cl4 Na16 . 2_655 73.84(4) ?
    Na16 Cl4 Na16 . 2_655 116.36(5) ?
    Na16 Cl4 Na16 8_656 2_655 106.14(2) ?
    Na13 Cl4 Na16 7_666 7_666 73.07(4) ?
    Na13 Cl4 Na16 8_656 7_666 73.84(4) ?
    Na13 Cl4 Na16 2_655 7_666 179.02(4) ?
    Na13 Cl4 Na16 . 7_666 64.51(4) ?
    Na16 Cl4 Na16 . 7_666 106.14(2) ?
    Na16 Cl4 Na16 8_656 7_666 116.36(5) ?
    Na16 Cl4 Na16 2_655 7_666 106.14(2) ?
    O11 Na1 O29 5_666 5_665 175.48(12) ?
    O11 Na1 O28 5_666 5_666 86.64(10) ?
    O29 Na1 O28 5_665 5_666 94.26(11) ?
    O11 Na1 O33 5_666 . 88.41(11) ?
    O29 Na1 O33 5_665 . 87.11(11) ?
    O28 Na1 O33 5_666 . 95.14(10) ?
    O11 Na1 O14 5_666 5_665 95.05(11) ?
    O29 Na1 O14 5_665 5_665 83.70(11) ?
    O28 Na1 O14 5_666 5_665 175.06(12) ?
    O33 Na1 O14 . 5_665 80.29(10) ?
    O11 Na1 Cl3 5_666 5_665 96.11(8) ?
    O29 Na1 Cl3 5_665 5_665 88.27(9) ?
    O28 Na1 Cl3 5_666 5_665 92.72(8) ?
    O33 Na1 Cl3 . 5_665 171.16(9) ?
    O14 Na1 Cl3 5_665 5_665 91.72(8) ?
    O11 Na1 Na12 5_666 5_665 134.91(9) ?
    O29 Na1 Na12 5_665 5_665 46.48(7) ?
    O28 Na1 Na12 5_666 5_665 131.96(9) ?
    O33 Na1 Na12 . 5_665 106.71(9) ?
    O14 Na1 Na12 5_665 5_665 48.74(7) ?
    Cl3 Na1 Na12 5_665 5_665 64.80(5) ?
    O11 Na1 Na9 5_666 4_565 104.48(9) ?
    O29 Na1 Na9 5_665 4_565 79.04(9) ?
    O28 Na1 Na9 5_666 4_565 42.73(7) ?
    O33 Na1 Na9 . 4_565 133.19(8) ?
    O14 Na1 Na9 5_665 4_565 140.58(9) ?
    Cl3 Na1 Na9 5_665 4_565 52.88(4) ?
    Na12 Na1 Na9 5_665 4_565 95.45(5) ?
    O11 Na1 Na19 5_666 5_666 44.57(8) ?
    O29 Na1 Na19 5_665 5_666 137.61(9) ?
    O28 Na1 Na19 5_666 5_666 45.33(7) ?
    O33 Na1 Na19 . 5_666 105.73(8) ?
    O14 Na1 Na19 5_665 5_666 137.65(9) ?
    Cl3 Na1 Na19 5_665 5_666 82.71(5) ?
    Na12 Na1 Na19 5_665 5_666 147.52(6) ?
    Na9 Na1 Na19 4_565 5_666 62.58(4) ?
    O11 Na1 Na2 5_666 . 39.47(7) ?
    O29 Na1 Na2 5_665 . 143.78(9) ?
    O28 Na1 Na2 5_666 . 106.00(8) ?
    O33 Na1 Na2 . . 119.68(8) ?
    O14 Na1 Na2 5_665 . 78.07(8) ?
    Cl3 Na1 Na2 5_665 . 61.58(4) ?
    Na12 Na1 Na2 5_665 . 99.44(5) ?
    Na9 Na1 Na2 4_565 . 95.66(5) ?
    Na19 Na1 Na2 5_666 . 62.35(4) ?
    O11 Na1 Na16 5_666 3 117.78(9) ?
    O29 Na1 Na16 5_665 3 58.47(8) ?
    O28 Na1 Na16 5_666 3 72.63(8) ?
    O33 Na1 Na16 . 3 39.12(7) ?
    O14 Na1 Na16 5_665 3 102.51(9) ?
    Cl3 Na1 Na16 5_665 3 141.33(6) ?
    Na12 Na1 Na16 5_665 3 98.32(5) ?
    Na9 Na1 Na16 4_565 3 98.14(5) ?
    Na19 Na1 Na16 5_666 3 107.83(5) ?
    Na2 Na1 Na16 . 3 156.31(6) ?
    O23 Na2 O35 5_666 . 127.82(11) ?
    O23 Na2 O13 5_666 5_665 157.53(12) ?
    O35 Na2 O13 . 5_665 73.31(11) ?
    O23 Na2 O11 5_666 5_666 84.26(10) ?
    O35 Na2 O11 . 5_666 116.12(11) ?
    O13 Na2 O11 5_665 5_666 92.81(11) ?
    O23 Na2 O17 5_666 5_665 91.46(10) ?
    O35 Na2 O17 . 5_665 82.54(11) ?
    O13 Na2 O17 5_665 5_665 83.36(11) ?
    O11 Na2 O17 5_666 5_665 159.09(12) ?
    O23 Na2 Na11 5_666 5_665 117.28(9) ?
    O35 Na2 Na11 . 5_665 97.31(9) ?
    O13 Na2 Na11 5_665 5_665 44.67(8) ?
    O11 Na2 Na11 5_666 5_665 115.33(9) ?
    O17 Na2 Na11 5_665 5_665 49.32(7) ?
    O23 Na2 S3 5_666 5_666 87.44(8) ?
    O35 Na2 S3 . 5_666 95.79(9) ?
    O13 Na2 S3 5_665 5_666 98.77(8) ?
    O11 Na2 S3 5_666 5_666 23.64(7) ?
    O17 Na2 S3 5_665 5_666 176.82(9) ?
    Na11 Na2 S3 5_665 5_666 133.74(6) ?
    O23 Na2 S6 5_666 5_666 21.28(7) ?
    O35 Na2 S6 . 5_666 107.62(9) ?
    O13 Na2 S6 5_665 5_666 178.62(9) ?
    O11 Na2 S6 5_666 5_666 87.69(8) ?
    O17 Na2 S6 5_665 5_666 95.72(8) ?
    Na11 Na2 S6 5_665 5_666 133.99(5) ?
    S3 Na2 S6 5_666 5_666 82.19(4) ?
    O23 Na2 Na6 5_666 4_565 38.73(7) ?
    O35 Na2 Na6 . 4_565 147.75(9) ?
    O13 Na2 Na6 5_665 4_565 119.72(9) ?
    O11 Na2 Na6 5_666 4_565 93.65(8) ?
    O17 Na2 Na6 5_665 4_565 70.92(8) ?
    Na11 Na2 Na6 5_665 4_565 79.32(5) ?
    S3 Na2 Na6 5_666 4_565 109.77(5) ?
    S6 Na2 Na6 5_666 4_565 58.95(4) ?
    O23 Na2 Na5 5_666 . 131.88(9) ?
    O35 Na2 Na5 . . 40.30(7) ?
    O13 Na2 Na5 5_665 . 68.13(8) ?
    O11 Na2 Na5 5_666 . 76.26(8) ?
    O17 Na2 Na5 5_665 . 120.47(9) ?
    Na11 Na2 Na5 5_665 . 110.82(5) ?
    S3 Na2 Na5 5_666 . 58.63(4) ?
    S6 Na2 Na5 5_666 . 113.24(5) ?
    Na6 Na2 Na5 4_565 . 167.93(6) ?
    O23 Na2 Na1 5_666 . 94.76(8) ?
    O35 Na2 Na1 . . 131.39(8) ?
    O13 Na2 Na1 5_665 . 70.48(9) ?
    O11 Na2 Na1 5_666 . 37.40(7) ?
    O17 Na2 Na1 5_665 . 123.25(9) ?
    Na11 Na2 Na1 5_665 . 78.63(5) ?
    S3 Na2 Na1 5_666 . 59.83(4) ?
    S6 Na2 Na1 5_666 . 109.29(5) ?
    Na6 Na2 Na1 4_565 . 79.82(4) ?
    Na5 Na2 Na1 . . 95.46(5) ?
    O23 Na2 Na19 5_666 5_666 42.64(7) ?
    O35 Na2 Na19 . 5_666 139.51(9) ?
    O13 Na2 Na19 5_665 5_666 128.41(9) ?
    O11 Na2 Na19 5_666 5_666 42.00(7) ?
    O17 Na2 Na19 5_665 5_666 128.46(9) ?
    Na11 Na2 Na19 5_665 5_666 122.29(6) ?
    S3 Na2 Na19 5_666 5_666 51.76(4) ?
    S6 Na2 Na19 5_666 5_666 51.53(4) ?
    Na6 Na2 Na19 4_565 5_666 58.35(4) ?
    Na5 Na2 Na19 . 5_666 109.72(5) ?
    Na1 Na2 Na19 . 5_666 58.21(4) ?
    O20 Na3 O22 5_665 7_666 163.18(13) ?
    O20 Na3 O20 5_665 7_665 86.30(14) ?
    O22 Na3 O20 7_666 7_665 92.74(11) ?
    O20 Na3 O36 5_665 . 124.56(12) ?
    O22 Na3 O36 7_666 . 71.44(11) ?
    O20 Na3 O36 7_665 . 110.19(11) ?
    O20 Na3 O21 5_665 5_666 93.47(11) ?
    O22 Na3 O21 7_666 5_666 83.00(10) ?
    O20 Na3 O21 7_665 5_666 164.48(12) ?
    O36 Na3 O21 . 5_666 82.68(11) ?
    O20 Na3 Cl2 5_665 5_666 83.66(8) ?
    O22 Na3 Cl2 7_666 5_666 79.56(9) ?
    O20 Na3 Cl2 7_665 5_666 82.74(8) ?
    O36 Na3 Cl2 . 5_666 148.50(10) ?
    O21 Na3 Cl2 5_666 5_666 81.81(9) ?
    O20 Na3 Na10 5_665 5_666 121.49(9) ?
    O22 Na3 Na10 7_666 5_666 45.26(7) ?
    O20 Na3 Na10 7_665 5_666 118.56(9) ?
    O36 Na3 Na10 . 5_666 96.95(9) ?
    O21 Na3 Na10 5_666 5_666 49.13(8) ?
    Cl2 Na3 Na10 5_666 5_666 52.65(5) ?
    O20 Na3 S5 5_665 5_665 21.36(7) ?
    O22 Na3 S5 7_666 5_665 175.43(10) ?
    O20 Na3 S5 7_665 5_665 88.10(8) ?
    O36 Na3 S5 . 5_665 104.05(9) ?
    O21 Na3 S5 5_666 5_665 97.33(8) ?
    Cl2 Na3 S5 5_666 5_665 105.00(5) ?
    Na10 Na3 S5 5_666 5_665 137.61(5) ?
    O20 Na3 Na18 5_665 5_665 43.70(7) ?
    O22 Na3 Na18 7_666 5_665 129.90(9) ?
    O20 Na3 Na18 7_665 5_665 43.85(7) ?
    O36 Na3 Na18 . 5_665 136.73(10) ?
    O21 Na3 Na18 5_666 5_665 130.96(9) ?
    Cl2 Na3 Na18 5_666 5_665 72.46(6) ?
    Na10 Na3 Na18 5_666 5_665 125.08(7) ?
    S5 Na3 Na18 5_665 5_665 52.90(4) ?
    O20 Na3 Na6 5_665 . 129.19(9) ?
    O22 Na3 Na6 7_666 . 65.74(8) ?
    O20 Na3 Na6 7_665 . 71.67(7) ?
    O36 Na3 Na6 . . 39.30(7) ?
    O21 Na3 Na6 5_666 . 119.23(9) ?
    Cl2 Na3 Na6 5_666 . 134.95(5) ?
    Na10 Na3 Na6 5_666 . 109.22(5) ?
    S5 Na3 Na6 5_665 . 110.37(5) ?
    Na18 Na3 Na6 5_665 . 108.33(5) ?
    O20 Na3 Na2 5_665 . 73.36(8) ?
    O22 Na3 Na2 7_666 . 117.81(9) ?
    O20 Na3 Na2 7_665 . 134.48(9) ?
    O36 Na3 Na2 . . 57.16(7) ?
    O21 Na3 Na2 5_666 . 59.55(8) ?
    Cl2 Na3 Na2 5_666 . 132.65(5) ?
    Na10 Na3 Na2 5_666 . 106.73(5) ?
    S5 Na3 Na2 5_665 . 58.97(4) ?
    Na18 Na3 Na2 5_665 . 111.73(5) ?
    Na6 Na3 Na2 . . 90.16(5) ?
    O20 Na3 Na3 5_665 3_655 98.62(7) ?
    O22 Na3 Na3 7_666 3_655 72.07(9) ?
    O20 Na3 Na3 7_665 3_655 34.48(8) ?
    O36 Na3 Na3 . 3_655 125.21(9) ?
    O21 Na3 Na3 5_666 3_655 130.79(8) ?
    Cl2 Na3 Na3 5_666 3_655 52.803(18) ?
    Na10 Na3 Na3 5_666 3_655 84.82(3) ?
    S5 Na3 Na3 5_665 3_655 110.74(3) ?
    Na18 Na3 Na3 5_665 3_655 57.86(3) ?
    Na6 Na3 Na3 . 3_655 88.36(5) ?
    Na2 Na3 Na3 . 3_655 168.17(3) ?
    O6 Na4 O16 5_666 5_665 174.28(12) ?
    O6 Na4 O1 5_666 5_665 97.29(11) ?
    O16 Na4 O1 5_665 5_665 87.40(11) ?
    O6 Na4 O34 5_666 . 87.97(11) ?
    O16 Na4 O34 5_665 . 88.32(11) ?
    O1 Na4 O34 5_665 . 95.65(10) ?
    O6 Na4 O10 5_666 5_666 83.71(11) ?
    O16 Na4 O10 5_665 5_666 91.40(10) ?
    O1 Na4 O10 5_665 5_666 176.01(12) ?
    O34 Na4 O10 . 5_666 80.50(10) ?
    O6 Na4 Cl1 5_666 . 89.21(9) ?
    O16 Na4 Cl1 5_665 . 93.70(8) ?
    O1 Na4 Cl1 5_665 . 94.38(8) ?
    O34 Na4 Cl1 . . 169.84(9) ?
    O10 Na4 Cl1 5_666 . 89.49(8) ?
    O6 Na4 Na8 5_666 5_666 46.71(8) ?
    O16 Na4 Na8 5_665 5_666 130.76(9) ?
    O1 Na4 Na8 5_665 5_666 134.89(9) ?
    O34 Na4 Na8 . 5_666 106.85(9) ?
    O10 Na4 Na8 5_666 5_666 48.05(7) ?
    Cl1 Na4 Na8 . 5_666 64.51(4) ?
    O6 Na4 S2 5_666 5_666 20.75(7) ?
    O16 Na4 S2 5_665 5_666 164.06(9) ?
    O1 Na4 S2 5_665 5_666 76.68(8) ?
    O34 Na4 S2 . 5_666 92.39(8) ?
    O10 Na4 S2 5_666 5_666 104.43(8) ?
    Cl1 Na4 S2 . 5_666 88.40(4) ?
    Na8 Na4 S2 5_666 5_666 64.06(4) ?
    O6 Na4 Na5 5_666 . 136.27(10) ?
    O16 Na4 Na5 5_665 . 44.51(8) ?
    O1 Na4 Na5 5_665 . 104.70(8) ?
    O34 Na4 Na5 . . 125.92(9) ?
    O10 Na4 Na5 5_666 . 76.95(8) ?
    Cl1 Na4 Na5 . . 52.29(3) ?
    Na8 Na4 Na5 5_666 . 93.11(5) ?
    S2 Na4 Na5 5_666 . 140.65(6) ?
    O6 Na4 Na17 5_666 . 140.08(9) ?
    O16 Na4 Na17 5_665 . 45.43(7) ?
    O1 Na4 Na17 5_665 . 45.58(7) ?
    O34 Na4 Na17 . . 106.89(8) ?
    O10 Na4 Na17 5_666 . 134.46(8) ?
    Cl1 Na4 Na17 . . 81.37(3) ?
    Na8 Na4 Na17 5_666 . 145.81(6) ?
    S2 Na4 Na17 5_666 . 119.66(4) ?
    Na5 Na4 Na17 . . 62.22(3) ?
    O6 Na4 Na7 5_666 . 79.54(9) ?
    O16 Na4 Na7 5_665 . 106.17(8) ?
    O1 Na4 Na7 5_665 . 38.83(7) ?
    O34 Na4 Na7 . . 128.84(8) ?
    O10 Na4 Na7 5_666 . 145.05(9) ?
    Cl1 Na4 Na7 . . 60.01(4) ?
    Na8 Na4 Na7 5_666 . 99.78(5) ?
    S2 Na4 Na7 5_666 . 61.48(4) ?
    Na5 Na4 Na7 . . 94.50(5) ?
    Na17 Na4 Na7 . . 62.11(3) ?
    O6 Na4 Na15 5_666 3 61.25(8) ?
    O16 Na4 Na15 5_665 3 117.57(9) ?
    O1 Na4 Na15 5_665 3 72.42(8) ?
    O34 Na4 Na15 . 3 39.21(7) ?
    O10 Na4 Na15 5_666 3 104.86(9) ?
    Cl1 Na4 Na15 . 3 144.61(5) ?
    Na8 Na4 Na15 5_666 3 101.38(5) ?
    S2 Na4 Na15 5_666 3 56.95(4) ?
    Na5 Na4 Na15 . 3 161.95(6) ?
    Na17 Na4 Na15 . 3 108.14(5) ?
    Na7 Na4 Na15 . 3 93.59(5) ?
    O2 Na5 O9 . 5_666 175.97(13) ?
    O2 Na5 O16 . 5_665 86.32(11) ?
    O9 Na5 O16 5_666 5_665 94.35(11) ?
    O2 Na5 O35 . . 88.81(11) ?
    O9 Na5 O35 5_666 . 87.17(11) ?
    O16 Na5 O35 5_665 . 95.14(10) ?
    O2 Na5 O5 . . 95.18(11) ?
    O9 Na5 O5 5_666 . 83.86(11) ?
    O16 Na5 O5 5_665 . 175.41(12) ?
    O35 Na5 O5 . . 80.56(10) ?
    O2 Na5 Cl1 . . 94.29(8) ?
    O9 Na5 Cl1 5_666 . 89.65(9) ?
    O16 Na5 Cl1 5_665 . 92.65(8) ?
    O35 Na5 Cl1 . . 171.79(9) ?
    O5 Na5 Cl1 . . 91.57(8) ?
    O2 Na5 Na7 . 5_666 134.87(9) ?
    O9 Na5 Na7 5_666 5_666 46.53(8) ?
    O16 Na5 Na7 5_665 5_666 131.95(9) ?
    O35 Na5 Na7 . 5_666 106.93(9) ?
    O5 Na5 Na7 . 5_666 48.82(7) ?
    Cl1 Na5 Na7 . 5_666 65.64(4) ?
    O2 Na5 Na4 . . 103.33(8) ?
    O9 Na5 Na4 5_666 . 79.74(9) ?
    O16 Na5 Na4 5_665 . 42.83(7) ?
    O35 Na5 Na4 . . 133.68(9) ?
    O5 Na5 Na4 . . 140.41(9) ?
    Cl1 Na5 Na4 . . 52.83(4) ?
    Na7 Na5 Na4 5_666 . 95.61(5) ?
    O2 Na5 Na17 . . 44.54(7) ?
    O9 Na5 Na17 5_666 . 137.31(9) ?
    O16 Na5 Na17 5_665 . 45.13(7) ?
    O35 Na5 Na17 . . 106.19(8) ?
    O5 Na5 Na17 . . 137.60(9) ?
    Cl1 Na5 Na17 . . 81.21(4) ?
    Na7 Na5 Na17 5_666 . 146.85(6) ?
    Na4 Na5 Na17 . . 61.53(3) ?
    O2 Na5 Na8 . . 39.87(7) ?
    O9 Na5 Na8 5_666 . 143.22(9) ?
    O16 Na5 Na8 5_665 . 104.86(8) ?
    O35 Na5 Na8 . . 121.11(9) ?
    O5 Na5 Na8 . . 78.91(8) ?
    Cl1 Na5 Na8 . . 58.92(4) ?
    Na7 Na5 Na8 5_666 . 99.29(5) ?
    Na4 Na5 Na8 . . 93.29(5) ?
    Na17 Na5 Na8 . . 61.55(3) ?
    O2 Na5 Na2 . . 118.32(9) ?
    O9 Na5 Na2 5_666 . 58.26(8) ?
    O16 Na5 Na2 5_665 . 72.75(8) ?
    O35 Na5 Na2 . . 39.31(7) ?
    O5 Na5 Na2 . . 102.75(9) ?
    Cl1 Na5 Na2 . . 142.38(6) ?
    Na7 Na5 Na2 5_666 . 98.26(5) ?
    Na4 Na5 Na2 . . 98.73(5) ?
    Na17 Na5 Na2 . . 108.24(5) ?
    Na8 Na5 Na2 . . 157.61(6) ?
    O2 Na5 H35 . . 70.2(10) ?
    O9 Na5 H35 5_666 . 105.8(10) ?
    O16 Na5 H35 5_665 . 93.3(9) ?
    O35 Na5 H35 . . 18.6(9) ?
    O5 Na5 H35 . . 83.1(10) ?
    Cl1 Na5 H35 . . 162.9(10) ?
    Na7 Na5 H35 5_666 . 120.2(10) ?
    Na4 Na5 H35 . . 136.0(9) ?
    Na17 Na5 H35 . . 91.8(10) ?
    Na8 Na5 H35 . . 104.1(10) ?
    Na2 Na5 H35 . . 54.6(9) ?
    O7 Na6 O18 . 7_665 173.93(12) ?
    O7 Na6 O23 . 7_666 87.28(10) ?
    O18 Na6 O23 7_665 7_666 97.35(11) ?
    O7 Na6 O36 . . 87.85(11) ?
    O18 Na6 O36 7_665 . 87.80(11) ?
    O23 Na6 O36 7_666 . 95.64(10) ?
    O7 Na6 O3 . . 91.45(10) ?
    O18 Na6 O3 7_665 . 83.66(11) ?
    O23 Na6 O3 7_666 . 175.94(12) ?
    O36 Na6 O3 . . 80.45(10) ?
    O7 Na6 Cl3 . 7_665 93.95(8) ?
    O18 Na6 Cl3 7_665 7_665 89.50(9) ?
    O23 Na6 Cl3 7_666 7_665 95.74(8) ?
    O36 Na6 Cl3 . 7_665 168.55(9) ?
    O3 Na6 Cl3 . 7_665 88.20(8) ?
    O7 Na6 Na14 . 7_665 131.09(9) ?
    O18 Na6 Na14 7_665 7_665 46.70(8) ?
    O23 Na6 Na14 7_666 7_665 135.04(9) ?
    O36 Na6 Na14 . 7_665 106.60(9) ?
    O3 Na6 Na14 . 7_665 47.95(7) ?
    Cl3 Na6 Na14 7_665 7_665 63.94(5) ?
    O7 Na6 S5 . 7_665 163.87(9) ?
    O18 Na6 S5 7_665 7_665 20.82(7) ?
    O23 Na6 S5 7_666 7_665 76.66(8) ?
    O36 Na6 S5 . 7_665 92.17(8) ?
    O3 Na6 S5 . 7_665 104.46(8) ?
    Cl3 Na6 S5 7_665 7_665 89.23(5) ?
    Na14 Na6 S5 7_665 7_665 64.18(4) ?
    O7 Na6 Na9 . . 44.26(8) ?
    O18 Na6 Na9 7_665 . 136.93(10) ?
    O23 Na6 Na9 7_666 . 105.58(8) ?
    O36 Na6 Na9 . . 124.60(9) ?
    O3 Na6 Na9 . . 76.02(8) ?
    Cl3 Na6 Na9 7_665 . 52.82(4) ?
    Na14 Na6 Na9 7_665 . 93.31(5) ?
    S5 Na6 Na9 7_665 . 142.01(6) ?
    O7 Na6 Na19 . 7_666 45.06(8) ?
    O18 Na6 Na19 7_665 7_666 140.60(9) ?
    O23 Na6 Na19 7_666 7_666 45.81(7) ?
    O36 Na6 Na19 . 7_666 106.43(9) ?
    O3 Na6 Na19 . 7_666 134.18(9) ?
    Cl3 Na6 Na19 7_665 7_666 82.56(5) ?
    Na14 Na6 Na19 7_665 7_666 146.45(6) ?
    S5 Na6 Na19 7_665 7_666 120.08(5) ?
    Na9 Na6 Na19 . 7_666 62.72(4) ?
    O7 Na6 Na2 . 3_655 106.62(9) ?
    O18 Na6 Na2 7_665 3_655 79.41(9) ?
    O23 Na6 Na2 7_666 3_655 38.48(7) ?
    O36 Na6 Na2 . 3_655 128.26(8) ?
    O3 Na6 Na2 . 3_655 145.46(9) ?
    Cl3 Na6 Na2 7_665 3_655 61.95(4) ?
    Na14 Na6 Na2 7_665 3_655 100.14(5) ?
    S5 Na6 Na2 7_665 3_655 61.23(4) ?
    Na9 Na6 Na2 . 3_655 96.43(5) ?
    Na19 Na6 Na2 7_666 3_655 62.77(4) ?
    O7 Na6 Na3 . . 116.95(9) ?
    O18 Na6 Na3 7_665 . 61.24(8) ?
    O23 Na6 Na3 7_666 . 72.50(8) ?
    O36 Na6 Na3 . . 39.02(7) ?
    O3 Na6 Na3 . . 104.73(9) ?
    Cl3 Na6 Na3 7_665 . 145.60(6) ?
    Na14 Na6 Na3 7_665 . 101.27(5) ?
    S5 Na6 Na3 7_665 . 56.89(4) ?
    Na9 Na6 Na3 . . 160.87(6) ?
    Na19 Na6 Na3 7_666 . 107.99(5) ?
    Na2 Na6 Na3 3_655 . 93.15(5) ?
    O7 Na6 H36 . . 70.4(11) ?
    O18 Na6 H36 7_665 . 105.5(11) ?
    O23 Na6 H36 7_666 . 91.4(11) ?
    O36 Na6 H36 . . 17.8(11) ?
    O3 Na6 H36 . . 84.5(11) ?
    Cl3 Na6 H36 7_665 . 162.5(11) ?
    Na14 Na6 H36 7_665 . 120.3(11) ?
    S5 Na6 H36 7_665 . 108.0(11) ?
    Na9 Na6 H36 . . 109.8(11) ?
    Na19 Na6 H36 7_666 . 91.1(11) ?
    Na2 Na6 H36 3_655 . 128.9(11) ?
    Na3 Na6 H36 . . 51.9(11) ?
    O1 Na7 O9 5_665 . 160.14(13) ?
    O1 Na7 O38 5_665 . 125.63(12) ?
    O9 Na7 O38 . . 72.90(11) ?
    O1 Na7 O15 5_665 . 84.93(11) ?
    O9 Na7 O15 . . 94.33(11) ?
    O38 Na7 O15 . . 112.78(11) ?
    O1 Na7 O5 5_665 5_666 91.59(11) ?
    O9 Na7 O5 . 5_666 83.14(11) ?
    O38 Na7 O5 . 5_666 83.18(11) ?
    O15 Na7 O5 . 5_666 162.44(12) ?
    O1 Na7 Na5 5_665 5_666 118.16(9) ?
    O9 Na7 Na5 . 5_666 45.51(8) ?
    O38 Na7 Na5 . 5_666 98.30(9) ?
    O15 Na7 Na5 . 5_666 118.46(9) ?
    O5 Na7 Na5 5_666 5_666 48.94(7) ?
    O1 Na7 Cl1 5_665 . 82.77(8) ?
    O9 Na7 Cl1 . . 77.48(9) ?
    O38 Na7 Cl1 . . 147.56(9) ?
    O15 Na7 Cl1 . . 82.05(8) ?
    O5 Na7 Cl1 5_666 . 80.43(8) ?
    Na5 Na7 Cl1 5_666 . 50.32(4) ?
    O1 Na7 S4 5_665 . 87.31(8) ?
    O9 Na7 S4 . . 99.56(8) ?
    O38 Na7 S4 . . 93.32(8) ?
    O15 Na7 S4 . . 22.41(7) ?
    O5 Na7 S4 5_666 . 174.79(10) ?
    Na5 Na7 S4 5_666 . 135.75(6) ?
    Cl1 Na7 S4 . . 104.46(5) ?
    O1 Na7 Na4 5_665 . 39.10(7) ?
    O9 Na7 Na4 . . 121.62(10) ?
    O38 Na7 Na4 . . 147.90(9) ?
    O15 Na7 Na4 . . 95.45(8) ?
    O5 Na7 Na4 5_666 . 71.60(8) ?
    Na5 Na7 Na4 5_666 . 80.11(5) ?
    Cl1 Na7 Na4 . . 47.49(3) ?
    S4 Na7 Na4 . . 110.27(5) ?
    O1 Na7 Na17 5_665 . 43.01(7) ?
    O9 Na7 Na17 . . 130.22(9) ?
    O38 Na7 Na17 . . 137.16(9) ?
    O15 Na7 Na17 . . 42.66(7) ?
    O5 Na7 Na17 5_666 . 129.13(9) ?
    Na5 Na7 Na17 5_666 . 123.78(6) ?
    Cl1 Na7 Na17 . . 73.46(3) ?
    S4 Na7 Na17 . . 52.03(3) ?
    Na4 Na7 Na17 . . 58.47(3) ?
    O1 Na7 Na11 5_665 . 130.15(9) ?
    O9 Na7 Na11 . . 67.93(8) ?
    O38 Na7 Na11 . . 39.61(7) ?
    O15 Na7 Na11 . . 73.91(8) ?
    O5 Na7 Na11 5_666 . 120.39(9) ?
    Na5 Na7 Na11 5_666 . 111.60(5) ?
    Cl1 Na7 Na11 . . 135.56(5) ?
    S4 Na7 Na11 . . 57.28(4) ?
    Na4 Na7 Na11 . . 166.82(6) ?
    Na17 Na7 Na11 . . 108.67(5) ?
    O1 Na7 Na14 5_665 3 71.76(8) ?
    O9 Na7 Na14 . 3 120.14(10) ?
    O38 Na7 Na14 . 3 59.54(7) ?
    O15 Na7 Na14 . 3 135.24(9) ?
    O5 Na7 Na14 5_666 3 58.52(8) ?
    Na5 Na7 Na14 5_666 3 106.25(5) ?
    Cl1 Na7 Na14 . 3 129.79(5) ?
    S4 Na7 Na14 . 3 116.35(6) ?
    Na4 Na7 Na14 . 3 89.85(5) ?
    Na17 Na7 Na14 . 3 109.53(5) ?
    Na11 Na7 Na14 . 3 92.41(5) ?
    O15 Na8 O6 . . 161.57(13) ?
    O15 Na8 O2 . . 84.68(11) ?
    O6 Na8 O2 . . 91.83(11) ?
    O15 Na8 O39 . . 126.63(11) ?
    O6 Na8 O39 . . 71.26(11) ?
    O2 Na8 O39 . . 113.50(11) ?
    O15 Na8 O10 . . 94.09(11) ?
    O6 Na8 O10 . . 83.68(11) ?
    O2 Na8 O10 . . 162.08(12) ?
    O39 Na8 O10 . . 81.54(11) ?
    O15 Na8 Na4 . 5_666 121.45(9) ?
    O6 Na8 Na4 . 5_666 44.96(8) ?
    O2 Na8 Na4 . 5_666 116.36(9) ?
    O39 Na8 Na4 . 5_666 95.66(9) ?
    O10 Na8 Na4 . 5_666 49.73(7) ?
    O15 Na8 Cl1 . . 83.71(8) ?
    O6 Na8 Cl1 . . 77.87(9) ?
    O2 Na8 Cl1 . . 81.32(8) ?
    O39 Na8 Cl1 . . 145.80(9) ?
    O10 Na8 Cl1 . . 80.77(9) ?
    Na4 Na8 Cl1 5_666 . 51.00(4) ?
    O15 Na8 S1 . . 86.96(8) ?
    O6 Na8 S1 . . 96.83(8) ?
    O2 Na8 S1 . . 22.84(7) ?
    O39 Na8 S1 . . 93.95(9) ?
    O10 Na8 S1 . . 175.05(10) ?
    Na4 Na8 S1 5_666 . 133.28(6) ?
    Cl1 Na8 S1 . . 104.16(5) ?
    O15 Na8 S4 . . 21.47(7) ?
    O6 Na8 S4 . . 176.85(10) ?
    O2 Na8 S4 . . 87.88(8) ?
    O39 Na8 S4 . . 105.99(9) ?
    O10 Na8 S4 . . 97.53(8) ?
    Na4 Na8 S4 5_666 . 137.71(6) ?
    Cl1 Na8 S4 . . 105.18(5) ?
    S1 Na8 S4 . . 81.71(4) ?
    O15 Na8 Na5 . . 95.95(8) ?
    O6 Na8 Na5 . . 70.93(9) ?
    O2 Na8 Na5 . . 37.96(7) ?
    O39 Na8 Na5 . . 129.89(9) ?
    O10 Na8 Na5 . . 124.90(9) ?
    Na4 Na8 Na5 5_666 . 79.62(5) ?
    Cl1 Na8 Na5 . . 47.05(3) ?
    S1 Na8 Na5 . . 59.70(4) ?
    S4 Na8 Na5 . . 110.47(5) ?
    O15 Na8 Na9 . . 130.13(9) ?
    O6 Na8 Na9 . . 65.38(8) ?
    O2 Na8 Na9 . . 74.06(8) ?
    O39 Na8 Na9 . . 39.96(7) ?
    O10 Na8 Na9 . . 118.93(9) ?
    Na4 Na8 Na9 5_666 . 108.40(5) ?
    Cl1 Na8 Na9 . . 134.35(5) ?
    S1 Na8 Na9 . . 57.27(4) ?
    S4 Na8 Na9 . . 111.55(5) ?
    Na5 Na8 Na9 . . 93.93(5) ?
    O15 Na8 Na17 . . 42.54(7) ?
    O6 Na8 Na17 . . 129.00(9) ?
    O2 Na8 Na17 . . 42.82(7) ?
    O39 Na8 Na17 . . 138.15(9) ?
    O10 Na8 Na17 . . 130.91(9) ?
    Na4 Na8 Na17 5_666 . 124.89(6) ?
    Cl1 Na8 Na17 . . 73.93(3) ?
    S1 Na8 Na17 . . 52.10(3) ?
    S4 Na8 Na17 . . 52.03(3) ?
    Na5 Na8 Na17 . . 58.68(3) ?
    Na9 Na8 Na17 . . 108.75(5) ?
    O4 Na9 O28 . 7_666 175.39(13) ?
    O4 Na9 O7 . . 97.12(11) ?
    O28 Na9 O7 7_666 . 86.65(10) ?
    O4 Na9 O39 . . 88.39(11) ?
    O28 Na9 O39 7_666 . 88.50(11) ?
    O7 Na9 O39 . . 97.55(11) ?
    O4 Na9 O30 . 7_665 83.75(11) ?
    O28 Na9 O30 7_666 7_665 92.41(10) ?
    O7 Na9 O30 . 7_665 178.32(12) ?
    O39 Na9 O30 . 7_665 81.03(10) ?
    O4 Na9 Cl3 . 7_665 88.56(9) ?
    O28 Na9 Cl3 7_666 7_665 93.92(8) ?
    O7 Na9 Cl3 . 7_665 92.64(8) ?
    O39 Na9 Cl3 . 7_665 169.66(10) ?
    O30 Na9 Cl3 7_665 7_665 88.82(8) ?
    O4 Na9 Na15 . 7_665 46.93(8) ?
    O28 Na9 Na15 7_666 7_665 131.35(9) ?
    O7 Na9 Na15 . 7_665 132.78(9) ?
    O39 Na9 Na15 . 7_665 108.53(9) ?
    O30 Na9 Na15 7_665 7_665 48.76(7) ?
    Cl3 Na9 Na15 7_665 7_665 62.59(5) ?
    O4 Na9 Na6 . . 81.22(9) ?
    O28 Na9 Na6 7_666 . 103.38(9) ?
    O7 Na9 Na6 . . 42.57(7) ?
    O39 Na9 Na6 . . 135.93(9) ?
    O30 Na9 Na6 7_665 . 139.08(9) ?
    Cl3 Na9 Na6 7_665 . 53.10(4) ?
    Na15 Na9 Na6 7_665 . 95.07(5) ?
    O4 Na9 S1 . . 20.51(8) ?
    O28 Na9 S1 7_666 . 163.44(9) ?
    O7 Na9 S1 . . 76.79(8) ?
    O39 Na9 S1 . . 93.67(8) ?
    O30 Na9 S1 7_665 . 104.15(8) ?
    Cl3 Na9 S1 7_665 . 86.88(5) ?
    Na15 Na9 S1 7_665 . 63.21(4) ?
    Na6 Na9 S1 . . 64.12(4) ?
    O4 Na9 Na1 . 3_655 136.47(10) ?
    O28 Na9 Na1 7_666 3_655 44.37(7) ?
    O7 Na9 Na1 . 3_655 102.70(8) ?
    O39 Na9 Na1 . 3_655 126.07(9) ?
    O30 Na9 Na1 7_665 3_655 77.52(8) ?
    Cl3 Na9 Na1 7_665 3_655 52.52(4) ?
    Na15 Na9 Na1 7_665 3_655 92.95(5) ?
    Na6 Na9 Na1 . 3_655 87.79(5) ?
    S1 Na9 Na1 . 3_655 139.40(6) ?
    O4 Na9 Na19 . 7_666 139.61(10) ?
    O28 Na9 Na19 7_666 7_666 44.77(8) ?
    O7 Na9 Na19 . 7_666 44.66(7) ?
    O39 Na9 Na19 . 7_666 106.43(9) ?
    O30 Na9 Na19 7_665 7_666 134.85(9) ?
    Cl3 Na9 Na19 7_665 7_666 82.14(5) ?
    Na15 Na9 Na19 7_665 7_666 144.70(6) ?
    Na6 Na9 Na19 . 7_666 61.82(4) ?
    S1 Na9 Na19 . 7_666 119.27(5) ?
    Na1 Na9 Na19 3_655 7_666 61.94(4) ?
    O4 Na9 Na8 . . 59.84(8) ?
    O28 Na9 Na8 7_666 . 119.05(9) ?
    O7 Na9 Na8 . . 74.60(8) ?
    O39 Na9 Na8 . . 40.22(7) ?
    O30 Na9 Na8 7_665 . 104.70(9) ?
    Cl3 Na9 Na8 7_665 . 143.09(6) ?
    Na15 Na9 Na8 7_665 . 100.88(5) ?
    Na6 Na9 Na8 . . 100.09(5) ?
    S1 Na9 Na8 . . 56.73(4) ?
    Na1 Na9 Na8 3_655 . 163.33(6) ?
    Na19 Na9 Na8 7_666 . 108.87(5) ?
    O19 Na10 O22 . 3 175.27(12) ?
    O19 Na10 O19 . 3 86.60(14) ?
    O22 Na10 O19 3 3 96.99(11) ?
    O19 Na10 O37 . . 87.82(10) ?
    O22 Na10 O37 3 . 88.67(11) ?
    O19 Na10 O37 3 . 97.19(10) ?
    O19 Na10 O21 . . 92.36(10) ?
    O22 Na10 O21 3 . 83.93(11) ?
    O19 Na10 O21 3 . 177.53(12) ?
    O37 Na10 O21 . . 80.51(10) ?
    O19 Na10 Cl2 . . 94.60(8) ?
    O22 Na10 Cl2 3 . 88.29(9) ?
    O19 Na10 Cl2 3 . 93.24(8) ?
    O37 Na10 Cl2 . . 169.41(9) ?
    O21 Na10 Cl2 . . 89.08(9) ?
    O19 Na10 Na3 . 5_666 131.84(9) ?
    O22 Na10 Na3 3 5_666 46.73(8) ?
    O19 Na10 Na3 3 5_666 133.23(9) ?
    O37 Na10 Na3 . 5_666 108.03(9) ?
    O21 Na10 Na3 . 5_666 48.82(7) ?
    Cl2 Na10 Na3 . 5_666 62.91(5) ?
    O19 Na10 Na10 . 3 104.37(7) ?
    O22 Na10 Na10 3 3 80.36(9) ?
    O19 Na10 Na10 3 3 42.81(8) ?
    O37 Na10 Na10 . 3 135.50(8) ?
    O21 Na10 Na10 . 3 139.66(7) ?
    Cl2 Na10 Na10 . 3 53.72(2) ?
    Na3 Na10 Na10 5_666 3 95.28(4) ?
    O19 Na10 Na10 . 4 44.27(8) ?
    O22 Na10 Na10 3 4 136.89(8) ?
    O19 Na10 Na10 3 4 103.98(7) ?
    O37 Na10 Na10 . 4 124.62(9) ?
    O21 Na10 Na10 . 4 76.72(9) ?
    Cl2 Na10 Na10 . 4 53.72(2) ?
    Na3 Na10 Na10 5_666 4 93.31(4) ?
    Na10 Na10 Na10 3 4 90 ?
    O19 Na10 S6 . 3 163.31(9) ?
    O22 Na10 S6 3 3 20.40(7) ?
    O19 Na10 S6 3 3 76.73(8) ?
    O37 Na10 S6 . 3 93.52(8) ?
    O21 Na10 S6 . 3 104.27(8) ?
    Cl2 Na10 S6 . 3 87.12(5) ?
    Na3 Na10 S6 5_666 3 63.31(4) ?
    Na10 Na10 S6 3 3 63.54(5) ?
    Na10 Na10 S6 4 3 140.81(4) ?
    O19 Na10 Na18 . . 44.64(7) ?
    O22 Na10 Na18 3 . 139.69(9) ?
    O19 Na10 Na18 3 . 44.81(7) ?
    O37 Na10 Na18 . . 105.85(9) ?
    O21 Na10 Na18 . . 134.84(9) ?
    Cl2 Na10 Na18 . . 82.88(6) ?
    Na3 Na10 Na18 5_666 . 145.75(6) ?
    Na10 Na10 Na18 3 . 62.78(2) ?
    Na10 Na10 Na18 4 . 62.78(2) ?
    S6 Na10 Na18 3 . 119.50(4) ?
    O19 Na10 Na14 . 3 118.18(9) ?
    O22 Na10 Na14 3 3 60.23(8) ?
    O19 Na10 Na14 3 3 74.45(8) ?
    O37 Na10 Na14 . 3 39.93(7) ?
    O21 Na10 Na14 . 3 104.13(9) ?
    Cl2 Na10 Na14 . 3 143.49(6) ?
    Na3 Na10 Na14 5_666 3 100.60(5) ?
    Na10 Na10 Na14 3 3 99.77(6) ?
    Na10 Na10 Na14 4 3 162.11(5) ?
    S6 Na10 Na14 3 3 56.82(4) ?
    Na18 Na10 Na14 . 3 108.52(5) ?
    O19 Na10 H37 . . 67.3(12) ?
    O22 Na10 H37 3 . 109.3(12) ?
    O19 Na10 H37 3 . 93.1(12) ?
    O37 Na10 H37 . . 20.7(12) ?
    O21 Na10 H37 . . 84.4(12) ?
    Cl2 Na10 H37 . . 160.4(12) ?
    Na3 Na10 H37 5_666 . 123.2(12) ?
    Na10 Na10 H37 3 . 135.9(12) ?
    Na10 Na10 H37 4 . 106.7(12) ?
    S6 Na10 H37 3 . 112.4(12) ?
    Na18 Na10 H37 . . 88.6(12) ?
    Na14 Na10 H37 3 . 56.1(12) ?
    O24 Na11 O13 . . 174.40(12) ?
    O24 Na11 O12 . . 87.46(10) ?
    O13 Na11 O12 . . 94.85(11) ?
    O24 Na11 O38 . . 87.99(10) ?
    O13 Na11 O38 . . 86.78(11) ?
    O12 Na11 O38 . . 93.54(10) ?
    O24 Na11 O17 . . 93.85(10) ?
    O13 Na11 O17 . . 83.28(11) ?
    O12 Na11 O17 . . 173.46(12) ?
    O38 Na11 O17 . . 80.11(10) ?
    O24 Na11 Cl3 . . 94.34(8) ?
    O13 Na11 Cl3 . . 90.57(9) ?
    O12 Na11 Cl3 . . 94.33(8) ?
    O38 Na11 Cl3 . . 171.88(9) ?
    O17 Na11 Cl3 . . 91.96(8) ?
    O24 Na11 Na2 . 5_665 134.10(9) ?
    O13 Na11 Na2 . 5_665 46.02(7) ?
    O12 Na11 Na2 . 5_665 133.70(9) ?
    O38 Na11 Na2 . 5_665 105.26(8) ?
    O17 Na11 Na2 . 5_665 47.90(7) ?
    Cl3 Na11 Na2 . 5_665 67.65(5) ?
    O24 Na11 Na19 . . 45.52(7) ?
    O13 Na11 Na19 . . 138.41(9) ?
    O12 Na11 Na19 . . 46.26(7) ?
    O38 Na11 Na19 . . 106.57(8) ?
    O17 Na11 Na19 . . 137.10(9) ?
    Cl3 Na11 Na19 . . 80.43(5) ?
    Na2 Na11 Na19 5_665 . 148.08(6) ?
    O24 Na11 Na12 . . 106.17(8) ?
    O13 Na11 Na12 . . 78.67(9) ?
    O12 Na11 Na12 . . 39.02(7) ?
    O38 Na11 Na12 . . 127.21(8) ?
    O17 Na11 Na12 . . 145.64(9) ?
    Cl3 Na11 Na12 . . 59.52(4) ?
    Na2 Na11 Na12 5_665 . 100.05(5) ?
    Na19 Na11 Na12 . . 61.71(4) ?
    O24 Na11 Na14 . . 40.15(7) ?
    O13 Na11 Na14 . . 142.89(9) ?
    O12 Na11 Na14 . . 106.53(8) ?
    O38 Na11 Na14 . . 120.81(8) ?
    O17 Na11 Na14 . . 78.34(8) ?
    Cl3 Na11 Na14 . . 58.49(4) ?
    Na2 Na11 Na14 5_665 . 99.42(5) ?
    Na19 Na11 Na14 . . 61.62(4) ?
    Na12 Na11 Na14 . . 99.11(5) ?
    O24 Na11 Na7 . . 116.59(8) ?
    O13 Na11 Na7 . . 59.72(8) ?
    O12 Na11 Na7 . . 70.70(8) ?
    O38 Na11 Na7 . . 38.50(7) ?
    O17 Na11 Na7 . . 103.05(9) ?
    Cl3 Na11 Na7 . . 144.05(6) ?
    Na2 Na11 Na7 5_665 . 98.72(5) ?
    Na19 Na11 Na7 . . 107.62(5) ?
    Na12 Na11 Na7 . . 92.74(5) ?
    Na14 Na11 Na7 . . 156.21(6) ?
    O24 Na11 H38 . . 66.0(16) ?
    O13 Na11 H38 . . 108.8(17) ?
    O12 Na11 H38 . . 91.2(16) ?
    O38 Na11 H38 . . 22.0(16) ?
    O17 Na11 H38 . . 83.5(17) ?
    Cl3 Na11 H38 . . 159.4(16) ?
    Na2 Na11 H38 5_665 . 120.9(17) ?
    Na19 Na11 H38 . . 89.2(17) ?
    Na12 Na11 H38 . . 130.0(16) ?
    Na14 Na11 H38 . . 100.9(16) ?
    Na7 Na11 H38 . . 56.3(16) ?
    O12 Na12 O29 . . 160.40(13) ?
    O12 Na12 O40 . . 125.32(12) ?
    O29 Na12 O40 . . 72.89(11) ?
    O12 Na12 O27 . . 85.82(10) ?
    O29 Na12 O27 . . 93.81(11) ?
    O40 Na12 O27 . . 112.07(11) ?
    O12 Na12 O14 . . 91.39(11) ?
    O29 Na12 O14 . . 83.18(11) ?
    O40 Na12 O14 . . 83.33(11) ?
    O27 Na12 O14 . . 162.79(12) ?
    O12 Na12 Na1 . 5_665 118.14(9) ?
    O29 Na12 Na1 . 5_665 45.62(8) ?
    O40 Na12 Na1 . 5_665 98.48(9) ?
    O27 Na12 Na1 . 5_665 118.36(9) ?
    O14 Na12 Na1 . 5_665 48.94(7) ?
    O12 Na12 Cl3 . . 83.32(8) ?
    O29 Na12 Cl3 . . 77.26(9) ?
    O40 Na12 Cl3 . . 147.81(9) ?
    O27 Na12 Cl3 . . 81.37(8) ?
    O14 Na12 Cl3 . . 81.45(8) ?
    Na1 Na12 Cl3 5_665 . 50.76(4) ?
    O12 Na12 S7 . . 87.83(8) ?
    O29 Na12 S7 . . 99.28(8) ?
    O40 Na12 S7 . . 92.76(8) ?
    O27 Na12 S7 . . 22.41(7) ?
    O14 Na12 S7 . . 174.59(10) ?
    Na1 Na12 S7 5_665 . 135.75(6) ?
    Cl3 Na12 S7 . . 103.77(5) ?
    O12 Na12 Na11 . . 39.67(7) ?
    O29 Na12 Na11 . . 121.15(9) ?
    O40 Na12 Na11 . . 148.98(9) ?
    O27 Na12 Na11 . . 95.32(8) ?
    O14 Na12 Na11 . . 72.21(8) ?
    Na1 Na12 Na11 5_665 . 79.83(5) ?
    Cl3 Na12 Na11 . . 47.28(4) ?
    S7 Na12 Na11 . . 110.17(5) ?
    O12 Na12 Na19 . . 43.76(8) ?
    O29 Na12 Na19 . . 129.74(10) ?
    O40 Na12 Na19 . . 137.17(9) ?
    O27 Na12 Na19 . . 42.92(7) ?
    O14 Na12 Na19 . . 129.38(9) ?
    Na1 Na12 Na19 5_665 . 123.47(6) ?
    Cl3 Na12 Na19 . . 72.73(4) ?
    S7 Na12 Na19 . . 52.25(4) ?
    Na11 Na12 Na19 . . 58.16(4) ?
    O12 Na12 Na13 . . 130.36(9) ?
    O29 Na12 Na13 . . 67.63(8) ?
    O40 Na12 Na13 . . 39.26(7) ?
    O27 Na12 Na13 . . 73.55(8) ?
    O14 Na12 Na13 . . 120.11(9) ?
    Na1 Na12 Na13 5_665 . 111.38(5) ?
    Cl3 Na12 Na13 . . 134.65(6) ?
    S7 Na12 Na13 . . 57.15(4) ?
    Na11 Na12 Na13 . . 166.86(6) ?
    Na19 Na12 Na13 . . 108.85(5) ?
    O12 Na12 Na8 . . 71.55(8) ?
    O29 Na12 Na8 . . 120.08(9) ?
    O40 Na12 Na8 . . 59.37(7) ?
    O27 Na12 Na8 . . 135.18(9) ?
    O14 Na12 Na8 . . 58.75(8) ?
    Na1 Na12 Na8 5_665 . 106.45(5) ?
    Cl3 Na12 Na8 . . 131.14(5) ?
    S7 Na12 Na8 . . 116.00(5) ?
    Na11 Na12 Na8 . . 91.12(5) ?
    Na19 Na12 Na8 . . 110.04(5) ?
    Na13 Na12 Na8 . . 92.07(5) ?
    O31 Na13 O25 7_665 . 173.89(12) ?
    O31 Na13 O32 7_665 . 87.42(12) ?
    O25 Na13 O32 . . 95.00(11) ?
    O31 Na13 O40 7_665 . 88.01(11) ?
    O25 Na13 O40 . . 86.23(11) ?
    O32 Na13 O40 . . 93.74(10) ?
    O31 Na13 O26 7_665 7_666 93.88(10) ?
    O25 Na13 O26 . 7_666 83.10(11) ?
    O32 Na13 O26 . 7_666 173.60(11) ?
    O40 Na13 O26 . 7_666 80.06(10) ?
    O31 Na13 Cl4 7_665 . 95.48(8) ?
    O25 Na13 Cl4 . . 89.90(9) ?
    O32 Na13 Cl4 . . 95.16(8) ?
    O40 Na13 Cl4 . . 170.58(9) ?
    O26 Na13 Cl4 7_666 . 90.96(8) ?
    O31 Na13 Na16 7_665 7_666 134.13(9) ?
    O25 Na13 Na16 . 7_666 46.16(8) ?
    O32 Na13 Na16 . 7_666 133.60(9) ?
    O40 Na13 Na16 . 7_666 105.28(9) ?
    O26 Na13 Na16 7_666 7_666 47.95(7) ?
    Cl4 Na13 Na16 . 7_666 66.12(4) ?
    O31 Na13 Na20 7_665 . 45.10(7) ?
    O25 Na13 Na20 . . 139.04(9) ?
    O32 Na13 Na20 . . 46.37(7) ?
    O40 Na13 Na20 . . 106.18(8) ?
    O26 Na13 Na20 7_666 . 136.86(8) ?
    Cl4 Na13 Na20 . . 82.30(3) ?
    Na16 Na13 Na20 7_666 . 148.42(6) ?
    O31 Na13 Na16 7_665 . 106.52(8) ?
    O25 Na13 Na16 . . 78.66(9) ?
    O32 Na13 Na16 . . 38.62(7) ?
    O40 Na13 Na16 . . 126.69(8) ?
    O26 Na13 Na16 7_666 . 145.85(9) ?
    Cl4 Na13 Na16 . . 60.62(4) ?
    Na16 Na13 Na16 7_666 . 100.00(5) ?
    Na20 Na13 Na16 . . 62.45(3) ?
    O31 Na13 Na16 7_665 2_655 39.75(7) ?
    O25 Na13 Na16 . 2_655 143.50(9) ?
    O32 Na13 Na16 . 2_655 107.17(8) ?
    O40 Na13 Na16 . 2_655 119.83(9) ?
    O26 Na13 Na16 7_666 2_655 77.55(8) ?
    Cl4 Na13 Na16 . 2_655 60.13(4) ?
    Na16 Na13 Na16 7_666 2_655 99.33(5) ?
    Na20 Na13 Na16 . 2_655 62.13(3) ?
    Na16 Na13 Na16 . 2_655 100.80(5) ?
    O31 Na13 Na12 7_665 . 116.41(9) ?
    O25 Na13 Na12 . . 59.49(8) ?
    O32 Na13 Na12 . . 70.67(7) ?
    O40 Na13 Na12 . . 38.49(7) ?
    O26 Na13 Na12 7_666 . 103.20(9) ?
    Cl4 Na13 Na12 . . 143.58(6) ?
    Na16 Na13 Na12 7_666 . 98.97(5) ?
    Na20 Na13 Na12 . . 107.25(5) ?
    Na16 Na13 Na12 . . 92.06(5) ?
    Na16 Na13 Na12 2_655 . 155.38(6) ?
    O8 Na14 O18 8_656 . 161.38(13) ?
    O8 Na14 O24 8_656 . 85.13(10) ?
    O18 Na14 O24 . . 91.37(11) ?
    O8 Na14 O37 8_656 4 126.95(11) ?
    O18 Na14 O37 . 4 71.14(11) ?
    O24 Na14 O37 . 4 113.08(11) ?
    O8 Na14 O3 8_656 8_655 93.99(11) ?
    O18 Na14 O3 . 8_655 83.66(11) ?
    O24 Na14 O3 . 8_655 161.74(12) ?
    O37 Na14 O3 4 8_655 81.96(11) ?
    O8 Na14 Cl3 8_656 . 82.59(8) ?
    O18 Na14 Cl3 . . 78.81(9) ?
    O24 Na14 Cl3 . . 81.54(8) ?
    O37 Na14 Cl3 4 . 146.47(9) ?
    O3 Na14 Cl3 8_655 . 80.26(9) ?
    O8 Na14 Na6 8_656 8_655 121.27(9) ?
    O18 Na14 Na6 . 8_655 44.96(8) ?
    O24 Na14 Na6 . 8_655 115.95(9) ?
    O37 Na14 Na6 4 8_655 95.75(9) ?
    O3 Na14 Na6 8_655 8_655 49.64(7) ?
    Cl3 Na14 Na6 . 8_655 51.42(4) ?
    O8 Na14 S2 8_656 8_656 21.71(7) ?
    O18 Na14 S2 . 8_656 176.72(10) ?
    O24 Na14 S2 . 8_656 88.06(8) ?
    O37 Na14 S2 4 8_656 106.13(8) ?
    O3 Na14 S2 8_655 8_656 97.86(8) ?
    Cl3 Na14 S2 . 8_656 104.30(5) ?
    Na6 Na14 S2 8_655 8_656 137.96(5) ?
    O8 Na14 S6 8_656 . 87.31(8) ?
    O18 Na14 S6 . . 96.47(8) ?
    O24 Na14 S6 . . 22.63(7) ?
    O37 Na14 S6 4 . 93.84(8) ?
    O3 Na14 S6 8_655 . 175.54(10) ?
    Cl3 Na14 S6 . . 104.15(5) ?
    Na6 Na14 S6 8_655 . 132.79(5) ?
    S2 Na14 S6 8_656 . 81.80(4) ?
    O8 Na14 Na11 8_656 . 95.31(8) ?
    O18 Na14 Na11 . . 71.36(8) ?
    O24 Na14 Na11 . . 37.96(7) ?
    O37 Na14 Na11 4 . 130.30(8) ?
    O3 Na14 Na11 8_655 . 124.38(9) ?
    Cl3 Na14 Na11 . . 47.11(4) ?
    Na6 Na14 Na11 8_655 . 79.49(5) ?
    S2 Na14 Na11 8_656 . 109.88(5) ?
    S6 Na14 Na11 . . 59.66(4) ?
    O8 Na14 Na19 8_656 . 42.76(8) ?
    O18 Na14 Na19 . . 128.54(9) ?
    O24 Na14 Na19 . . 43.14(7) ?
    O37 Na14 Na19 4 . 138.63(9) ?
    O3 Na14 Na19 8_655 . 130.61(9) ?
    Cl3 Na14 Na19 . . 72.85(4) ?
    Na6 Na14 Na19 8_655 . 124.18(6) ?
    S2 Na14 Na19 8_656 . 52.32(4) ?
    S6 Na14 Na19 . . 52.42(4) ?
    Na11 Na14 Na19 . . 57.78(4) ?
    O8 Na14 Na10 8_656 4 130.46(9) ?
    O18 Na14 Na10 . 4 65.15(8) ?
    O24 Na14 Na10 . 4 73.57(8) ?
    O37 Na14 Na10 4 4 40.01(7) ?
    O3 Na14 Na10 8_655 4 119.30(9) ?
    Cl3 Na14 Na10 . 4 134.94(5) ?
    Na6 Na14 Na10 8_655 4 108.26(5) ?
    S2 Na14 Na10 8_656 4 111.60(5) ?
    S6 Na14 Na10 . 4 57.08(4) ?
    Na11 Na14 Na10 . 4 94.21(5) ?
    Na19 Na14 Na10 . 4 108.94(5) ?
    O27 Na15 O4 . 8_655 164.34(13) ?
    O27 Na15 O8 . 8_656 85.54(10) ?
    O4 Na15 O8 8_655 8_656 93.55(11) ?
    O27 Na15 O34 . 4 124.13(11) ?
    O4 Na15 O34 8_655 4 70.81(11) ?
    O8 Na15 O34 8_656 4 110.34(11) ?
    O27 Na15 O30 . . 93.81(10) ?
    O4 Na15 O30 8_655 . 83.04(11) ?
    O8 Na15 O30 8_656 . 164.98(12) ?
    O34 Na15 O30 4 . 82.43(11) ?
    O27 Na15 Cl3 . . 84.74(8) ?
    O4 Na15 Cl3 8_655 . 79.63(9) ?
    O8 Na15 Cl3 8_656 . 83.37(8) ?
    O34 Na15 Cl3 4 . 147.82(9) ?
    O30 Na15 Cl3 . . 81.63(9) ?
    O27 Na15 Na9 . 8_655 122.28(9) ?
    O4 Na15 Na9 8_655 8_655 45.41(8) ?
    O8 Na15 Na9 8_656 8_655 119.08(9) ?
    O34 Na15 Na9 4 8_655 96.74(9) ?
    O30 Na15 Na9 . 8_655 49.38(7) ?
    Cl3 Na15 Na9 . 8_655 52.15(4) ?
    O27 Na15 S7 . . 20.96(7) ?
    O4 Na15 S7 8_655 . 174.64(10) ?
    O8 Na15 S7 8_656 . 87.77(8) ?
    O34 Na15 S7 4 . 103.86(8) ?
    O30 Na15 S7 . . 96.99(8) ?
    Cl3 Na15 S7 . . 105.69(5) ?
    Na9 Na15 S7 8_655 . 137.68(5) ?
    O27 Na15 Na19 . . 43.09(8) ?
    O4 Na15 Na19 8_655 . 131.17(10) ?
    O8 Na15 Na19 8_656 . 43.57(7) ?
    O34 Na15 Na19 4 . 135.82(9) ?
    O30 Na15 Na19 . . 131.24(9) ?
    Cl3 Na15 Na19 . . 74.19(4) ?
    Na9 Na15 Na19 8_655 . 126.32(6) ?
    S7 Na15 Na19 . . 52.29(4) ?
    O27 Na15 Na4 . 4 128.39(9) ?
    O4 Na15 Na4 8_655 4 65.49(8) ?
    O8 Na15 Na4 8_656 4 71.94(8) ?
    O34 Na15 Na4 4 4 39.20(7) ?
    O30 Na15 Na4 . 4 119.04(9) ?
    Cl3 Na15 Na4 . 4 135.02(6) ?
    Na9 Na15 Na4 8_655 4 109.20(5) ?
    S7 Na15 Na4 . 4 110.13(5) ?
    Na19 Na15 Na4 . 4 107.83(5) ?
    O27 Na15 Na16 . . 73.09(8) ?
    O4 Na15 Na16 8_655 . 117.32(9) ?
    O8 Na15 Na16 8_656 . 134.15(9) ?
    O34 Na15 Na16 4 . 57.29(7) ?
    O30 Na15 Na16 . . 59.13(8) ?
    Cl3 Na15 Na16 . . 132.36(5) ?
    Na9 Na15 Na16 8_655 . 106.57(5) ?
    S7 Na15 Na16 . . 58.68(4) ?
    Na19 Na15 Na16 . . 110.79(5) ?
    Na4 Na15 Na16 4 . 90.13(5) ?
    O27 Na15 Na14 . . 98.89(8) ?
    O4 Na15 Na14 8_655 . 72.55(9) ?
    O8 Na15 Na14 8_656 . 34.32(7) ?
    O34 Na15 Na14 4 . 124.70(8) ?
    O30 Na15 Na14 . . 131.69(9) ?
    Cl3 Na15 Na14 . . 53.76(4) ?
    Na9 Na15 Na14 8_655 . 85.36(5) ?
    S7 Na15 Na14 . . 110.95(5) ?
    Na19 Na15 Na14 . . 58.68(4) ?
    Na4 Na15 Na14 4 . 87.92(4) ?
    Na16 Na15 Na14 . . 167.87(6) ?
    O32 Na16 O25 . 8_656 158.63(13) ?
    O32 Na16 O33 . 4 127.59(11) ?
    O25 Na16 O33 8_656 4 72.42(11) ?
    O32 Na16 O31 . 8_655 84.94(11) ?
    O25 Na16 O31 8_656 8_655 92.77(11) ?
    O33 Na16 O31 4 8_655 115.26(11) ?
    O32 Na16 O26 . . 91.50(11) ?
    O25 Na16 O26 8_656 . 83.28(11) ?
    O33 Na16 O26 4 . 82.67(11) ?
    O31 Na16 O26 8_655 . 159.63(12) ?
    O32 Na16 Na13 . 8_656 117.62(9) ?
    O25 Na16 Na13 8_656 8_656 45.02(8) ?
    O33 Na16 Na13 4 8_656 97.24(9) ?
    O31 Na16 Na13 8_655 8_656 115.50(9) ?
    O26 Na16 Na13 . 8_656 49.27(7) ?
    O32 Na16 Cl4 . . 82.19(8) ?
    O25 Na16 Cl4 8_656 . 76.49(9) ?
    O33 Na16 Cl4 4 . 145.68(9) ?
    O31 Na16 Cl4 8_655 . 80.08(7) ?
    O26 Na16 Cl4 . . 79.57(8) ?
    Na13 Na16 Cl4 8_656 . 49.37(4) ?
    O32 Na16 S8 . 8_655 87.87(8) ?
    O25 Na16 S8 8_656 8_655 98.41(8) ?
    O33 Na16 S8 4 8_655 95.25(8) ?
    O31 Na16 S8 8_655 8_655 23.34(7) ?
    O26 Na16 S8 . 8_655 176.83(10) ?
    Na13 Na16 S8 8_656 8_655 133.59(6) ?
    Cl4 Na16 S8 . 8_655 103.41(4) ?
    O32 Na16 S8 . . 21.30(7) ?
    O25 Na16 S8 8_656 . 179.39(10) ?
    O33 Na16 S8 4 . 107.46(8) ?
    O31 Na16 S8 8_655 . 87.83(8) ?
    O26 Na16 S8 . . 96.11(8) ?
    Na13 Na16 S8 8_656 . 134.52(5) ?
    Cl4 Na16 S8 . . 103.47(4) ?
    S8 Na16 S8 8_655 . 82.20(4) ?
    O32 Na16 Na13 . . 39.30(7) ?
    O25 Na16 Na13 8_656 . 120.00(10) ?
    O33 Na16 Na13 4 . 148.97(9) ?
    O31 Na16 Na13 8_655 . 93.44(8) ?
    O26 Na16 Na13 . . 71.72(8) ?
    Na13 Na16 Na13 8_656 . 79.35(5) ?
    Cl4 Na16 Na13 . . 46.32(3) ?
    S8 Na16 Na13 8_655 . 109.50(5) ?
    S8 Na16 Na13 . . 59.79(4) ?
    O32 Na16 Na13 . 2_655 94.77(8) ?
    O25 Na16 Na13 8_656 2_655 71.42(9) ?
    O33 Na16 Na13 4 2_655 131.43(8) ?
    O31 Na16 Na13 8_655 2_655 37.54(7) ?
    O26 Na16 Na13 . 2_655 123.34(9) ?
    Na13 Na16 Na13 8_656 2_655 78.87(5) ?
    Cl4 Na16 Na13 . 2_655 46.03(3) ?
    S8 Na16 Na13 8_655 2_655 59.82(4) ?
    S8 Na16 Na13 . 2_655 109.01(5) ?
    Na13 Na16 Na13 . 2_655 78.60(5) ?
    O32 Na16 Na1 . 4 131.93(9) ?
    O25 Na16 Na1 8_656 4 67.22(8) ?
    O33 Na16 Na1 4 4 40.10(7) ?
    O31 Na16 Na1 8_655 4 75.62(8) ?
    O26 Na16 Na1 . 4 120.31(9) ?
    Na13 Na16 Na1 8_656 4 110.44(5) ?
    Cl4 Na16 Na1 . 4 134.67(5) ?
    S8 Na16 Na1 8_655 4 58.33(4) ?
    S8 Na16 Na1 . 4 113.09(5) ?
    Na13 Na16 Na1 . 4 167.60(6) ?
    Na13 Na16 Na1 2_655 4 95.49(5) ?
    O15 Na17 O15 . 5_665 180.00(5) ?
    O15 Na17 O2 . . 77.40(8) ?
    O15 Na17 O2 5_665 . 102.60(8) ?
    O15 Na17 O2 . 5_665 102.60(8) ?
    O15 Na17 O2 5_665 5_665 77.40(8) ?
    O2 Na17 O2 . 5_665 180.00(13) ?
    O15 Na17 O16 . . 55.71(10) ?
    O15 Na17 O16 5_665 . 124.29(10) ?
    O2 Na17 O16 . . 102.45(8) ?
    O2 Na17 O16 5_665 . 77.55(8) ?
    O15 Na17 O16 . 5_665 124.29(10) ?
    O15 Na17 O16 5_665 5_665 55.71(10) ?
    O2 Na17 O16 . 5_665 77.55(8) ?
    O2 Na17 O16 5_665 5_665 102.45(8) ?
    O16 Na17 O16 . 5_665 180.00(6) ?
    O15 Na17 O1 . 5_665 76.92(8) ?
    O15 Na17 O1 5_665 5_665 103.08(8) ?
    O2 Na17 O1 . 5_665 123.98(10) ?
    O2 Na17 O1 5_665 5_665 56.02(10) ?
    O16 Na17 O1 . 5_665 102.58(8) ?
    O16 Na17 O1 5_665 5_665 77.42(8) ?
    O15 Na17 O1 . . 103.08(8) ?
    O15 Na17 O1 5_665 . 76.92(8) ?
    O2 Na17 O1 . . 56.02(10) ?
    O2 Na17 O1 5_665 . 123.98(10) ?
    O16 Na17 O1 . . 77.42(8) ?
    O16 Na17 O1 5_665 . 102.58(8) ?
    O1 Na17 O1 5_665 . 180.00(12) ?
    O15 Na17 S4 . 5_665 152.22(6) ?
    O15 Na17 S4 5_665 5_665 27.78(6) ?
    O2 Na17 S4 . 5_665 89.11(6) ?
    O2 Na17 S4 5_665 5_665 90.89(6) ?
    O16 Na17 S4 . 5_665 152.03(6) ?
    O16 Na17 S4 5_665 5_665 27.97(6) ?
    O1 Na17 S4 5_665 5_665 91.33(6) ?
    O1 Na17 S4 . 5_665 88.67(6) ?
    O15 Na17 S4 . . 27.78(6) ?
    O15 Na17 S4 5_665 . 152.22(6) ?
    O2 Na17 S4 . . 90.89(6) ?
    O2 Na17 S4 5_665 . 89.11(6) ?
    O16 Na17 S4 . . 27.97(6) ?
    O16 Na17 S4 5_665 . 152.03(6) ?
    O1 Na17 S4 5_665 . 88.67(6) ?
    O1 Na17 S4 . . 91.33(6) ?
    S4 Na17 S4 5_665 . 180 ?
    O15 Na17 S1 . 5_665 91.12(6) ?
    O15 Na17 S1 5_665 5_665 88.88(6) ?
    O2 Na17 S1 . 5_665 151.93(6) ?
    O2 Na17 S1 5_665 5_665 28.07(6) ?
    O16 Na17 S1 . 5_665 91.49(6) ?
    O16 Na17 S1 5_665 5_665 88.51(6) ?
    O1 Na17 S1 5_665 5_665 28.03(6) ?
    O1 Na17 S1 . 5_665 151.97(6) ?
    S4 Na17 S1 5_665 5_665 89.67(3) ?
    S4 Na17 S1 . 5_665 90.33(3) ?
    O15 Na17 S1 . . 88.88(6) ?
    O15 Na17 S1 5_665 . 91.12(6) ?
    O2 Na17 S1 . . 28.07(6) ?
    O2 Na17 S1 5_665 . 151.93(6) ?
    O16 Na17 S1 . . 88.51(6) ?
    O16 Na17 S1 5_665 . 91.49(6) ?
    O1 Na17 S1 5_665 . 151.97(6) ?
    O1 Na17 S1 . . 28.03(6) ?
    S4 Na17 S1 5_665 . 90.33(3) ?
    S4 Na17 S1 . . 89.67(3) ?
    S1 Na17 S1 5_665 . 180.00(4) ?
    O20 Na18 O20 2 4 79.34(7) ?
    O20 Na18 O20 2 3 79.34(7) ?
    O20 Na18 O20 4 3 129.06(17) ?
    O20 Na18 O20 2 . 129.06(17) ?
    O20 Na18 O20 4 . 79.34(7) ?
    O20 Na18 O20 3 . 79.34(7) ?
    O20 Na18 O19 2 3 101.06(8) ?
    O20 Na18 O19 4 3 174.99(13) ?
    O20 Na18 O19 3 3 55.71(9) ?
    O20 Na18 O19 . 3 103.94(8) ?
    O20 Na18 O19 2 . 174.99(13) ?
    O20 Na18 O19 4 . 103.94(8) ?
    O20 Na18 O19 3 . 101.06(8) ?
    O20 Na18 O19 . . 55.71(9) ?
    O19 Na18 O19 3 . 75.33(7) ?
    O20 Na18 O19 2 2 55.71(9) ?
    O20 Na18 O19 4 2 101.06(8) ?
    O20 Na18 O19 3 2 103.94(8) ?
    O20 Na18 O19 . 2 174.99(13) ?
    O19 Na18 O19 3 2 75.33(7) ?
    O19 Na18 O19 . 2 119.57(16) ?
    O20 Na18 O19 2 4 103.94(8) ?
    O20 Na18 O19 4 4 55.71(9) ?
    O20 Na18 O19 3 4 174.99(13) ?
    O20 Na18 O19 . 4 101.06(8) ?
    O19 Na18 O19 3 4 119.57(16) ?
    O19 Na18 O19 . 4 75.33(7) ?
    O19 Na18 O19 2 4 75.33(7) ?
    O20 Na18 S5 2 3 91.49(7) ?
    O20 Na18 S5 4 3 156.84(13) ?
    O20 Na18 S5 3 3 27.79(6) ?
    O20 Na18 S5 . 3 90.50(7) ?
    O19 Na18 S5 3 3 27.99(6) ?
    O19 Na18 S5 . 3 86.81(7) ?
    O19 Na18 S5 2 3 90.87(7) ?
    O19 Na18 S5 4 3 147.40(13) ?
    O20 Na18 S5 2 2 27.79(6) ?
    O20 Na18 S5 4 2 91.49(7) ?
    O20 Na18 S5 3 2 90.50(7) ?
    O20 Na18 S5 . 2 156.84(13) ?
    O19 Na18 S5 3 2 86.81(7) ?
    O19 Na18 S5 . 2 147.40(13) ?
    O19 Na18 S5 2 2 27.99(6) ?
    O19 Na18 S5 4 2 90.87(7) ?
    S5 Na18 S5 3 2 89.907(5) ?
    O20 Na18 S5 2 4 90.50(7) ?
    O20 Na18 S5 4 4 27.79(6) ?
    O20 Na18 S5 3 4 156.84(13) ?
    O20 Na18 S5 . 4 91.49(7) ?
    O19 Na18 S5 3 4 147.40(13) ?
    O19 Na18 S5 . 4 90.87(7) ?
    O19 Na18 S5 2 4 86.81(7) ?
    O19 Na18 S5 4 4 27.99(6) ?
    S5 Na18 S5 3 4 175.38(11) ?
    S5 Na18 S5 2 4 89.907(5) ?
    O20 Na18 S5 2 . 156.84(13) ?
    O20 Na18 S5 4 . 90.50(7) ?
    O20 Na18 S5 3 . 91.49(7) ?
    O20 Na18 S5 . . 27.79(6) ?
    O19 Na18 S5 3 . 90.87(7) ?
    O19 Na18 S5 . . 27.99(6) ?
    O19 Na18 S5 2 . 147.40(13) ?
    O19 Na18 S5 4 . 86.81(7) ?
    S5 Na18 S5 3 . 89.907(5) ?
    S5 Na18 S5 2 . 175.38(11) ?
    S5 Na18 S5 4 . 89.907(5) ?
    O27 Na19 O8 . 8_656 78.53(10) ?
    O27 Na19 O24 . . 126.14(10) ?
    O8 Na19 O24 8_656 . 78.17(10) ?
    O27 Na19 O11 . . 102.49(10) ?
    O8 Na19 O11 8_656 . 177.49(11) ?
    O24 Na19 O11 . . 102.87(10) ?
    O27 Na19 O12 . . 78.22(9) ?
    O8 Na19 O12 8_656 . 126.65(10) ?
    O24 Na19 O12 . . 78.16(9) ?
    O11 Na19 O12 . . 55.86(10) ?
    O27 Na19 O7 . 8_656 103.95(10) ?
    O8 Na19 O7 8_656 8_656 55.98(10) ?
    O24 Na19 O7 . 8_656 101.81(10) ?
    O11 Na19 O7 . 8_656 121.51(10) ?
    O12 Na19 O7 . 8_656 177.11(10) ?
    O27 Na19 O28 . . 55.87(10) ?
    O8 Na19 O28 8_656 . 102.01(10) ?
    O24 Na19 O28 . . 177.87(10) ?
    O11 Na19 O28 . . 76.87(9) ?
    O12 Na19 O28 . . 103.29(10) ?
    O7 Na19 O28 8_656 . 76.66(9) ?
    O27 Na19 O23 . . 177.76(10) ?
    O8 Na19 O23 8_656 . 103.25(10) ?
    O24 Na19 O23 . . 55.83(10) ?
    O11 Na19 O23 . . 75.67(9) ?
    O12 Na19 O23 . . 101.60(10) ?
    O7 Na19 O23 8_656 . 76.16(9) ?
    O28 Na19 O23 . . 122.17(10) ?
    O27 Na19 S7 . . 27.85(6) ?
    O8 Na19 S7 8_656 . 91.53(8) ?
    O24 Na19 S7 . . 153.95(8) ?
    O11 Na19 S7 . . 88.45(7) ?
    O12 Na19 S7 . . 89.51(7) ?
    O7 Na19 S7 8_656 . 91.64(8) ?
    O28 Na19 S7 . . 28.10(6) ?
    O23 Na19 S7 . . 150.13(8) ?
    O27 Na19 S2 . 8_656 90.02(7) ?
    O8 Na19 S2 8_656 8_656 27.97(6) ?
    O24 Na19 S2 . 8_656 91.31(8) ?
    O11 Na19 S2 . 8_656 149.52(8) ?
    O12 Na19 S2 . 8_656 154.59(8) ?
    O7 Na19 S2 8_656 8_656 28.09(6) ?
    O28 Na19 S2 . 8_656 87.97(7) ?
    O23 Na19 S2 . 8_656 91.00(7) ?
    S7 Na19 S2 . 8_656 90.30(5) ?
    O27 Na19 S3 . . 91.73(8) ?
    O8 Na19 S3 8_656 . 154.53(8) ?
    O24 Na19 S3 . . 89.23(8) ?
    O11 Na19 S3 . . 27.98(6) ?
    O12 Na19 S3 . . 27.96(6) ?
    O7 Na19 S3 8_656 . 149.34(8) ?
    O28 Na19 S3 . . 91.40(7) ?
    O23 Na19 S3 . . 87.18(7) ?
    S7 Na19 S3 . . 90.35(5) ?
    S2 Na19 S3 8_656 . 177.38(6) ?
    O27 Na19 S6 . . 154.01(8) ?
    O8 Na19 S6 8_656 . 89.41(8) ?
    O24 Na19 S6 . . 27.90(6) ?
    O11 Na19 S6 . . 90.54(7) ?
    O12 Na19 S6 . . 91.21(7) ?
    O7 Na19 S6 8_656 . 87.57(7) ?
    O28 Na19 S6 . . 150.06(8) ?
    O23 Na19 S6 . . 28.01(6) ?
    S7 Na19 S6 . . 178.14(5) ?
    S2 Na19 S6 8_656 . 89.78(5) ?
    S3 Na19 S6 . . 89.49(5) ?
    O31 Na20 O31 . 7_665 102.97(5) ?
    O31 Na20 O31 . 2_655 123.45(12) ?
    O31 Na20 O31 7_665 2_655 102.97(5) ?
    O31 Na20 O31 . 8_655 102.97(5) ?
    O31 Na20 O31 7_665 8_655 123.45(12) ?
    O31 Na20 O31 2_655 8_655 102.97(5) ?
    O31 Na20 O32 . 2_655 179.31(7) ?
    O31 Na20 O32 7_665 2_655 77.01(7) ?
    O31 Na20 O32 2_655 2_655 55.94(9) ?
    O31 Na20 O32 8_655 2_655 77.58(7) ?
    O31 Na20 O32 . 8_655 77.58(7) ?
    O31 Na20 O32 7_665 8_655 179.31(7) ?
    O31 Na20 O32 2_655 8_655 77.01(7) ?
    O31 Na20 O32 8_655 8_655 55.94(9) ?
    O32 Na20 O32 2_655 8_655 102.45(5) ?
    O31 Na20 O32 . . 55.94(9) ?
    O31 Na20 O32 7_665 . 77.58(7) ?
    O31 Na20 O32 2_655 . 179.31(7) ?
    O31 Na20 O32 8_655 . 77.01(7) ?
    O32 Na20 O32 2_655 . 124.67(12) ?
    O32 Na20 O32 8_655 . 102.45(5) ?
    O31 Na20 O32 . 7_665 77.01(7) ?
    O31 Na20 O32 7_665 7_665 55.94(9) ?
    O31 Na20 O32 2_655 7_665 77.58(7) ?
    O31 Na20 O32 8_655 7_665 179.31(7) ?
    O32 Na20 O32 2_655 7_665 102.45(5) ?
    O32 Na20 O32 8_655 7_665 124.67(12) ?
    O32 Na20 O32 . 7_665 102.45(5) ?
    O31 Na20 S8 . . 27.97(6) ?
    O31 Na20 S8 7_665 . 88.99(6) ?
    O31 Na20 S8 2_655 . 151.36(6) ?
    O31 Na20 S8 8_655 . 91.32(6) ?
    O32 Na20 S8 2_655 . 152.62(6) ?
    O32 Na20 S8 8_655 . 91.33(6) ?
    O32 Na20 S8 . . 28.04(6) ?
    O32 Na20 S8 7_665 . 88.36(6) ?
    O31 Na20 S8 . 2_655 151.36(6) ?
    O31 Na20 S8 7_665 2_655 91.32(6) ?
    O31 Na20 S8 2_655 2_655 27.97(6) ?
    O31 Na20 S8 8_655 2_655 88.99(6) ?
    O32 Na20 S8 2_655 2_655 28.04(6) ?
    O32 Na20 S8 8_655 2_655 88.36(6) ?
    O32 Na20 S8 . 2_655 152.62(6) ?
    O32 Na20 S8 7_665 2_655 91.33(6) ?
    S8 Na20 S8 . 2_655 179.33(3) ?
    O31 Na20 S8 . 8_655 88.99(6) ?
    O31 Na20 S8 7_665 8_655 151.36(6) ?
    O31 Na20 S8 2_655 8_655 91.32(6) ?
    O31 Na20 S8 8_655 8_655 27.97(6) ?
    O32 Na20 S8 2_655 8_655 91.33(6) ?
    O32 Na20 S8 8_655 8_655 28.04(6) ?
    O32 Na20 S8 . 8_655 88.36(6) ?
    O32 Na20 S8 7_665 8_655 152.62(6) ?
    S8 Na20 S8 . 8_655 90 ?
    S8 Na20 S8 2_655 8_655 90 ?
    O31 Na20 S8 . 7_665 91.32(6) ?
    O31 Na20 S8 7_665 7_665 27.97(6) ?
    O31 Na20 S8 2_655 7_665 88.99(6) ?
    O31 Na20 S8 8_655 7_665 151.36(6) ?
    O32 Na20 S8 2_655 7_665 88.36(6) ?
    O32 Na20 S8 8_655 7_665 152.62(6) ?
    O32 Na20 S8 . 7_665 91.33(6) ?
    O32 Na20 S8 7_665 7_665 28.04(6) ?
    S8 Na20 S8 . 7_665 90 ?
    S8 Na20 S8 2_655 7_665 90 ?
    S8 Na20 S8 8_655 7_665 179.33(3) ?
    S1 O1 Na7 . 5_665 125.11(16) ?
    S1 O1 Na4 . 5_665 128.58(16) ?
    Na7 O1 Na4 5_665 5_665 102.07(12) ?
    S1 O1 Na17 . . 97.42(13) ?
    Na7 O1 Na17 5_665 . 98.89(10) ?
    Na4 O1 Na17 5_665 . 93.88(10) ?
    S1 O2 Na5 . . 134.34(16) ?
    S1 O2 Na8 . . 118.44(15) ?
    Na5 O2 Na8 . . 102.17(12) ?
    S1 O2 Na17 . . 98.18(13) ?
    Na5 O2 Na17 . . 96.21(10) ?
    Na8 O2 Na17 . . 97.46(10) ?
    S1 O3 Na14 . 7_665 125.54(15) ?
    S1 O3 Na6 . . 126.43(16) ?
    Na14 O3 Na6 7_665 . 82.41(10) ?
    S1 O4 Na9 . . 126.39(16) ?
    S1 O4 Na15 . 7_665 128.15(16) ?
    Na9 O4 Na15 . 7_665 87.67(12) ?
    S2 O5 Na7 . 5_666 127.82(15) ?
    S2 O5 Na5 . . 122.09(16) ?
    Na7 O5 Na5 5_666 . 82.24(11) ?
    S2 O6 Na4 . 5_666 125.51(16) ?
    S2 O6 Na8 . . 131.30(16) ?
    Na4 O6 Na8 5_666 . 88.33(12) ?
    S2 O7 Na6 . . 136.72(17) ?
    S2 O7 Na9 . . 126.41(16) ?
    Na6 O7 Na9 . . 93.17(11) ?
    S2 O7 Na19 . 7_666 96.92(14) ?
    Na6 O7 Na19 . 7_666 95.91(10) ?
    Na9 O7 Na19 . 7_666 95.17(10) ?
    S2 O8 Na14 . 7_666 122.90(16) ?
    S2 O8 Na15 . 7_666 121.35(16) ?
    Na14 O8 Na15 7_666 7_666 110.18(12) ?
    S2 O8 Na19 . 7_666 98.69(14) ?
    Na14 O8 Na19 7_666 7_666 98.83(11) ?
    Na15 O8 Na19 7_666 7_666 95.92(10) ?
    S3 O9 Na5 . 5_666 129.18(16) ?
    S3 O9 Na7 . . 127.06(15) ?
    Na5 O9 Na7 5_666 . 87.95(12) ?
    S3 O10 Na8 . . 125.50(15) ?
    S3 O10 Na4 . 5_666 125.66(16) ?
    Na8 O10 Na4 . 5_666 82.21(11) ?
    S3 O11 Na1 . 5_666 135.35(16) ?
    S3 O11 Na2 . 5_666 115.85(15) ?
    Na1 O11 Na2 5_666 5_666 103.13(12) ?
    S3 O11 Na19 . . 97.76(14) ?
    Na1 O11 Na19 5_666 . 96.55(10) ?
    Na2 O11 Na19 5_666 . 99.22(10) ?
    S3 O12 Na12 . . 124.83(16) ?
    S3 O12 Na11 . . 130.63(16) ?
    Na12 O12 Na11 . . 101.31(11) ?
    S3 O12 Na19 . . 97.76(14) ?
    Na12 O12 Na19 . . 97.42(10) ?
    Na11 O12 Na19 . . 92.14(10) ?
    S4 O13 Na11 . . 127.78(16) ?
    S4 O13 Na2 . 5_665 129.49(15) ?
    Na11 O13 Na2 . 5_665 89.32(12) ?
    S4 O14 Na12 . . 127.51(15) ?
    S4 O14 Na1 . 5_665 122.52(16) ?
    Na12 O14 Na1 . 5_665 82.32(11) ?
    S4 O15 Na8 . . 123.09(16) ?
    S4 O15 Na7 . . 119.40(15) ?
    Na8 O15 Na7 . . 110.95(12) ?
    S4 O15 Na17 . . 98.53(14) ?
    Na8 O15 Na17 . . 99.20(10) ?
    Na7 O15 Na17 . . 97.89(10) ?
    S4 O16 Na4 . 5_665 135.22(16) ?
    S4 O16 Na5 . 5_665 129.04(16) ?
    Na4 O16 Na5 5_665 5_665 92.67(11) ?
    S4 O16 Na17 . . 97.55(13) ?
    Na4 O16 Na17 5_665 . 94.66(10) ?
    Na5 O16 Na17 5_665 . 93.71(9) ?
    S5 O17 Na2 . 5_665 128.52(16) ?
    S5 O17 Na11 . . 122.47(16) ?
    Na2 O17 Na11 5_665 . 82.78(10) ?
    S5 O18 Na6 . 8_655 125.35(16) ?
    S5 O18 Na14 . . 131.64(16) ?
    Na6 O18 Na14 8_655 . 88.35(12) ?
    S5 O19 Na10 . . 136.50(16) ?
    S5 O19 Na10 . 4 126.72(16) ?
    Na10 O19 Na10 . 4 92.92(12) ?
    S5 O19 Na18 . . 95.87(14) ?
    Na10 O19 Na18 . . 97.22(10) ?
    Na10 O19 Na18 4 . 95.67(10) ?
    S5 O20 Na3 . 5_665 123.69(16) ?
    S5 O20 Na3 . 8_655 121.52(15) ?
    Na3 O20 Na3 5_665 8_655 110.00(13) ?
    S5 O20 Na18 . . 99.48(15) ?
    Na3 O20 Na18 5_665 . 96.78(10) ?
    Na3 O20 Na18 8_655 . 95.23(10) ?
    S6 O21 Na3 . 5_666 125.17(15) ?
    S6 O21 Na10 . . 126.23(16) ?
    Na3 O21 Na10 5_666 . 82.06(11) ?
    S6 O22 Na10 . 4 126.73(15) ?
    S6 O22 Na3 . 8_656 129.12(15) ?
    Na10 O22 Na3 4 8_656 88.01(12) ?
    S6 O23 Na2 . 5_666 124.03(15) ?
    S6 O23 Na6 . 8_656 128.87(16) ?
    Na2 O23 Na6 5_666 8_656 102.79(11) ?
    S6 O23 Na19 . . 96.40(13) ?
    Na2 O23 Na19 5_666 . 100.15(10) ?
    Na6 O23 Na19 8_656 . 94.14(10) ?
    S6 O24 Na11 . . 135.04(16) ?
    S6 O24 Na14 . . 118.80(15) ?
    Na11 O24 Na14 . . 101.89(11) ?
    S6 O24 Na19 . . 99.02(14) ?
    Na11 O24 Na19 . . 94.28(10) ?
    Na14 O24 Na19 . . 96.44(10) ?
    S7 O25 Na13 . . 127.07(16) ?
    S7 O25 Na16 . 7_666 129.52(15) ?
    Na13 O25 Na16 . 7_666 88.82(12) ?
    S7 O26 Na16 . . 127.97(15) ?
    S7 O26 Na13 . 8_656 123.03(16) ?
    Na16 O26 Na13 . 8_656 82.77(11) ?
    S7 O27 Na15 . . 124.67(16) ?
    S7 O27 Na12 . . 119.38(15) ?
    Na15 O27 Na12 . . 110.18(12) ?
    S7 O27 Na19 . . 98.99(14) ?
    Na15 O27 Na19 . . 97.91(11) ?
    Na12 O27 Na19 . . 96.94(10) ?
    S7 O28 Na9 . 8_656 135.34(16) ?
    S7 O28 Na1 . 5_666 128.64(15) ?
    Na9 O28 Na1 8_656 5_666 92.89(11) ?
    S7 O28 Na19 . . 96.18(13) ?
    Na9 O28 Na19 8_656 . 96.41(10) ?
    Na1 O28 Na19 5_666 . 93.96(10) ?
    S8 O29 Na1 . 5_665 129.03(16) ?
    S8 O29 Na12 . . 127.60(15) ?
    Na1 O29 Na12 5_665 . 87.89(12) ?
    S8 O30 Na15 . . 125.52(15) ?
    S8 O30 Na9 . 8_655 125.54(16) ?
    Na15 O30 Na9 . 8_655 81.86(11) ?
    S8 O31 Na13 . 8_655 135.69(16) ?
    S8 O31 Na16 . 7_665 116.62(15) ?
    Na13 O31 Na16 8_655 7_665 102.71(11) ?
    S8 O31 Na20 . . 98.49(13) ?
    Na13 O31 Na20 8_655 . 95.17(10) ?
    Na16 O31 Na20 7_665 . 98.14(10) ?
    S8 O32 Na16 . . 123.93(16) ?
    S8 O32 Na13 . . 130.65(16) ?
    Na16 O32 Na13 . . 102.08(11) ?
    S8 O32 Na20 . . 96.60(13) ?
    Na16 O32 Na20 . . 99.04(10) ?
    Na13 O32 Na20 . . 92.40(9) ?
    O34 O33 Na16 . 3 114.12(18) ?
    O34 O33 Na1 . . 109.70(18) ?
    Na16 O33 Na1 3 . 100.78(11) ?
    O34 O33 H33 . . 98(3) ?
    Na16 O33 H33 3 . 133(3) ?
    Na1 O33 H33 . . 99(3) ?
    O33 O34 Na4 . . 108.05(18) ?
    O33 O34 Na15 . 3 118.63(18) ?
    Na4 O34 Na15 . 3 101.59(11) ?
    O33 O34 H34 . . 105(3) ?
    Na4 O34 H34 . . 100(3) ?
    Na15 O34 H34 3 . 121(3) ?
    O36 O35 Na2 . . 114.08(18) ?
    O36 O35 Na5 . . 109.80(19) ?
    Na2 O35 Na5 . . 100.39(11) ?
    O36 O35 H35 . . 97(3) ?
    Na2 O35 H35 . . 136(3) ?
    Na5 O35 H35 . . 97(3) ?
    O35 O36 Na3 . . 118.73(19) ?
    O35 O36 Na6 . . 108.04(18) ?
    Na3 O36 Na6 . . 101.68(11) ?
    O35 O36 H36 . . 101(4) ?
    Na3 O36 H36 . . 126(4) ?
    Na6 O36 H36 . . 98(4) ?
    O38 O37 Na14 . 3 116.82(18) ?
    O38 O37 Na10 . . 108.35(18) ?
    Na14 O37 Na10 3 . 100.05(11) ?
    O38 O37 H37 . . 100(3) ?
    Na14 O37 H37 3 . 133(3) ?
    Na10 O37 H37 . . 95(3) ?
    O37 O38 Na7 . . 115.63(18) ?
    O37 O38 Na11 . . 109.21(18) ?
    Na7 O38 Na11 . . 101.89(11) ?
    O37 O38 H38 . . 99(4) ?
    Na7 O38 H38 . . 135(4) ?
    Na11 O38 H38 . . 91(4) ?
    O40 O39 Na9 . . 108.40(19) ?
    O40 O39 Na8 . . 117.04(18) ?
    Na9 O39 Na8 . . 99.82(11) ?
    O40 O39 H39 . . 101(3) ?
    Na9 O39 H39 . . 101(3) ?
    Na8 O39 H39 . . 128(3) ?
    O39 O40 Na12 . . 115.73(18) ?
    O39 O40 Na13 . . 109.38(18) ?
    Na12 O40 Na13 . . 102.25(11) ?
    O39 O40 H40 . . 105(4) ?
    Na12 O40 H40 . . 126(4) ?
    Na13 O40 H40 . . 96(4) ?
    O4 S1 O1 . . 110.16(16) ?
    O4 S1 O2 . . 109.24(16) ?
    O1 S1 O2 . . 108.08(18) ?
    O4 S1 O3 . . 110.42(19) ?
    O1 S1 O3 . . 109.19(16) ?
    O2 S1 O3 . . 109.72(15) ?
    O6 S2 O7 . . 109.96(15) ?
    O6 S2 O8 . . 109.99(16) ?
    O7 S2 O8 . . 108.15(18) ?
    O6 S2 O5 . . 110.41(19) ?
    O7 S2 O5 . . 109.23(15) ?
    O8 S2 O5 . . 109.05(16) ?
    O9 S3 O12 . . 110.58(15) ?
    O9 S3 O11 . . 109.57(16) ?
    O12 S3 O11 . . 108.36(18) ?
    O9 S3 O10 . . 110.22(19) ?
    O12 S3 O10 . . 108.86(16) ?
    O11 S3 O10 . . 109.23(15) ?
    O13 S4 O15 . . 109.91(16) ?
    O13 S4 O16 . . 110.07(15) ?
    O15 S4 O16 . . 108.06(18) ?
    O13 S4 O14 . . 109.36(18) ?
    O15 S4 O14 . . 109.55(16) ?
    O16 S4 O14 . . 109.87(15) ?
    O18 S5 O19 . . 110.11(15) ?
    O18 S5 O20 . . 109.90(16) ?
    O19 S5 O20 . . 108.70(18) ?
    O18 S5 O17 . . 109.62(18) ?
    O19 S5 O17 . . 109.39(16) ?
    O20 S5 O17 . . 109.11(16) ?
    O22 S6 O23 . . 110.09(15) ?
    O22 S6 O24 . . 109.50(15) ?
    O23 S6 O24 . . 108.47(17) ?
    O22 S6 O21 . . 109.75(18) ?
    O23 S6 O21 . . 109.27(15) ?
    O24 S6 O21 . . 109.74(15) ?
    O25 S7 O27 . . 109.92(16) ?
    O25 S7 O28 . . 110.18(15) ?
    O27 S7 O28 . . 108.71(18) ?
    O25 S7 O26 . . 109.45(19) ?
    O27 S7 O26 . . 109.19(15) ?
    O28 S7 O26 . . 109.37(15) ?
    O29 S8 O32 . . 110.40(15) ?
    O29 S8 O31 . . 109.50(15) ?
    O32 S8 O31 . . 108.70(18) ?
    O29 S8 O30 . . 109.92(18) ?
    O32 S8 O30 . . 108.74(16) ?
    O31 S8 O30 . . 109.55(15) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    O33 H33 O10 5_666 1.00(6) 1.70(6) 2.675(4) 164(5) yes
    O34 H34 O14 5_665 0.97(6) 1.81(6) 2.706(4) 152(5) yes
    O35 H35 O3 . 0.85(4) 1.83(4) 2.677(4) 169(4) yes
    O36 H36 O5 . 0.82(5) 1.92(5) 2.711(4) 162(5) yes
    O37 H37 O17 . 0.95(6) 1.77(6) 2.700(4) 167(5) yes
    O38 H38 O21 . 0.98(7) 1.71(6) 2.677(4) 171(6) yes
    O39 H39 O26 7_666 0.89(5) 1.84(5) 2.696(4) 159(5) yes
    O40 H40 O30 7_665 1.02(7) 1.71(6) 2.687(4) 158(6) yes
data_rgp29c
_audit_creation_method     'WinGX routine CIF_UPDATE'
_audit_conform_dict_name     cif_core.dic
_audit_conform_dict_version     2.3
_journal_date_recd_electronic     2005-08-10
_journal_date_accepted     2005-10-09
_journal_name_full     'Acta Crystallographica, Section B'
_journal_year     2005
_journal_volume     61
_journal_issue      6
_journal_page_first     663
_journal_page_last     668
_journal_paper_category     FA
_journal_coeditor_code     DE5022
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety     'H4 Br1 Na9 O20 S4'
_chemical_formula_sum     'Br1 H4 Na9 O20 S4'
_chemical_formula_weight     739.09
_symmetry_cell_setting     tetragonal
_symmetry_space_group_name_H-M     'P 4/n'
_symmetry_space_group_name_Hall     '-P 4a'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y+1/2, z'
    '-y+1/2, x, z'
    'y, -x+1/2, z'
    '-x, -y, -z'
    'x-1/2, y-1/2, -z'
    'y-1/2, -x, -z'
    '-y, x-1/2, -z'
_cell_length_a     14.9126(5)
_cell_length_b     14.9126(5)
_cell_length_c     8.4052(2)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     1869.20(10)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     5097
_cell_measurement_theta_min     1.018
_cell_measurement_theta_max     32.032
_cell_measurement_temperature     150(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.18
_exptl_crystal_size_mid     0.18
_exptl_crystal_size_min     0.07
_exptl_crystal_density_diffrn     2.626
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1448
_exptl_absorpt_coefficient_mu     2.958
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min     0.618
_exptl_absorpt_correction_T_max     0.8197
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     KappaCCD
_diffrn_measurement_device     '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method     'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean     9
_diffrn_reflns_number     8459
_diffrn_reflns_av_R_equivalents     0.0493
_diffrn_reflns_theta_min     1.93
_diffrn_reflns_theta_max     32.01
_diffrn_reflns_theta_full     32.01
_diffrn_measured_fraction_theta_max     0.987
_diffrn_measured_fraction_theta_full     0.987
_diffrn_reflns_limit_h_min     -18
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -22
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -12
_diffrn_reflns_limit_l_max     8
_diffrn_reflns_reduction_process
;
 Scaled and merged with SORTAV
 R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     3226
_reflns_number_gt     2368
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0634
_refine_ls_R_factor_gt     0.0396
_refine_ls_wR_factor_gt     0.0836
_refine_ls_wR_factor_ref     0.0927
_refine_ls_goodness_of_fit_ref     1.066
_refine_ls_restrained_S_all     1.066
_refine_ls_number_reflns     3226
_refine_ls_number_parameters     164
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0204P)²+1.5967P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0
_refine_diff_density_max     0.588
_refine_diff_density_min     -0.636
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0047(5)
_refine_ls_extinction_expression
                                    Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'Collect (Nonius BV, 1997-2000)'
_computing_cell_refinement     'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
                             'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1986)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
                                   'WinGX publication routines (Farrugia, 1999)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Br1 0.75 0.25 1 0.01417(12) Uani d S 1 . . Br
    Br11 0.25 0.25 0.48695(5) 0.01273(12) Uani d S 1 . . Br
    Na1 0.64723(7) 0.37337(6) 0.81685(12) 0.0146(2) Uani d . 1 . . Na
    Na2 0.75 0.25 0.5 0.0163(4) Uani d S 1 . . Na
    Na3 0.62673(7) 0.39174(7) 0.20464(12) 0.0163(2) Uani d . 1 . . Na
    Na11 0.35448(6) 0.37461(7) 0.68522(11) 0.0142(2) Uani d . 1 . . Na
    Na12 0.25 0.25 1.0196(2) 0.0161(4) Uani d S 1 . . Na
    Na13 0.37149(7) 0.38946(7) 1.29937(12) 0.0163(2) Uani d . 1 . . Na
    O1 0.48432(12) 0.18355(12) 0.50326(18) 0.0144(4) Uani d . 1 . . O
    O2 0.59709(11) 0.26609(11) 0.3582(2) 0.0149(3) Uani d . 1 . . O
    O3 0.48255(12) 0.34608(11) 0.50464(18) 0.0140(4) Uani d . 1 . . O
    O4 0.59943(11) 0.26410(11) 0.6435(2) 0.0142(3) Uani d . 1 . . O
    O5 0.54143(12) 0.47531(12) 0.7030(2) 0.0166(4) Uani d . 1 . . O
    O11 0.51614(12) 0.18381(12) 1.00036(18) 0.0150(4) Uani d . 1 . . O
    O12 0.40253(11) 0.26427(11) 1.1447(2) 0.0149(3) Uani d . 1 . . O
    O13 0.51716(12) 0.34647(12) 1.00146(17) 0.0146(4) Uani d . 1 . . O
    O14 0.40122(11) 0.26533(11) 0.8598(2) 0.0140(3) Uani d . 1 . . O
    O15 0.46047(12) 0.47460(12) 0.8003(2) 0.0167(4) Uani d . 1 . . O
    S1 0.54035(4) 0.26441(4) 0.50241(6) 0.01007(13) Uani d . 1 . . S
    S11 0.45972(4) 0.26436(4) 1.00141(6) 0.01007(13) Uani d . 1 . . S
    H5 0.527(2) 0.440(2) 0.628(4) 0.032(9) Uiso d . 1 . . H
    H15 0.477(3) 0.443(3) 0.881(5) 0.055(12) Uiso d . 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Br1 Na1 7_667 2.8466(10) ?
    Br1 Na1 8_657 2.8466(10) ?
    Br1 Na1 2_655 2.8466(10) ?
    Br1 Na1 . 2.8466(10) ?
    Br1 Na3 8_656 3.2872(10) ?
    Br1 Na3 1_556 3.2872(10) ?
    Br1 Na3 7_666 3.2872(10) ?
    Br1 Na3 2_656 3.2872(10) ?
    Br11 Na11 . 2.9424(10) ?
    Br11 Na11 2 2.9424(10) ?
    Br11 Na11 4 2.9424(10) ?
    Br11 Na11 3 2.9424(10) ?
    Br11 Na13 2_554 3.1770(11) ?
    Br11 Na13 1_554 3.1770(11) ?
    Br11 Na13 3_554 3.1770(11) ?
    Br11 Na13 4_554 3.1770(11) ?
    Na1 O4 . 2.2993(19) ?
    Na1 O11 7_667 2.3179(19) ?
    Na1 O2 7_666 2.345(2) ?
    Na1 O5 . 2.391(2) ?
    Na1 O13 . 2.516(2) ?
    Na1 Na3 1_556 3.2852(15) ?
    Na1 Na2 . 3.5813(10) ?
    Na1 Na3 7_666 3.6507(14) ?
    Na1 Na13 5_667 3.6798(14) ?
    Na1 Na3 8_656 3.7281(14) ?
    Na1 H5 . 2.59(3) ?
    Na2 O4 8_656 2.5574(17) ?
    Na2 O4 2_655 2.5574(17) ?
    Na2 O4 . 2.5574(17) ?
    Na2 O4 7_666 2.5574(17) ?
    Na2 O2 . 2.5842(18) ?
    Na2 O2 8_656 2.5842(18) ?
    Na2 O2 7_666 2.5842(18) ?
    Na2 O2 2_655 2.5842(18) ?
    Na2 S1 8_656 3.1339(6) ?
    Na2 S1 . 3.1339(6) ?
    Na2 S1 7_666 3.1339(6) ?
    Na2 S1 2_655 3.1339(6) ?
    Na3 O2 . 2.3178(19) ?
    Na3 O11 7_666 2.3623(19) ?
    Na3 O15 5_666 2.380(2) ?
    Na3 O4 7_666 2.4173(19) ?
    Na3 O13 1_554 2.458(2) ?
    Na3 Na1 1_554 3.2852(15) ?
    Na3 Br1 1_554 3.2872(10) ?
    Na3 S1 7_666 3.3621(11) ?
    Na3 Na11 5_666 3.6161(14) ?
    Na3 Na1 8_656 3.6507(14) ?
    Na3 Na1 7_666 3.7281(14) ?
    Na11 O14 . 2.3009(19) ?
    Na11 O1 3 2.3103(19) ?
    Na11 O14 3 2.3457(19) ?
    Na11 O15 . 2.379(2) ?
    Na11 O3 . 2.4764(19) ?
    Na11 Na13 1_554 3.2606(15) ?
    Na11 Na11 4 3.4294(14) ?
    Na11 Na11 3 3.4294(14) ?
    Na11 Na3 5_666 3.6161(14) ?
    Na11 Na12 . 3.7121(18) ?
    Na11 H15 . 2.66(4) ?
    Na12 O12 . 2.5147(19) ?
    Na12 O12 4 2.5147(19) ?
    Na12 O12 3 2.5147(19) ?
    Na12 O12 2 2.5147(19) ?
    Na12 O14 2 2.635(2) ?
    Na12 O14 4 2.635(2) ?
    Na12 O14 3 2.635(2) ?
    Na12 O14 . 2.635(2) ?
    Na12 S11 2 3.1385(6) ?
    Na12 S11 4 3.1385(6) ?
    Na12 S11 3 3.1385(6) ?
    Na12 S11 . 3.1385(6) ?
    Na13 O12 . 2.322(2) ?
    Na13 O1 3_556 2.3689(19) ?
    Na13 O5 5_667 2.399(2) ?
    Na13 O12 3 2.414(2) ?
    Na13 O3 1_556 2.4777(19) ?
    Na13 Br11 1_556 3.1770(11) ?
    Na13 Na11 1_556 3.2606(15) ?
    Na13 S11 3 3.3872(11) ?
    Na13 S11 . 3.3888(11) ?
    Na13 Na1 5_667 3.6798(14) ?
    Na13 Na3 1_556 3.8889(15) ?
    O1 S1 . 1.4670(18) ?
    O1 Na11 4 2.3103(19) ?
    O1 Na13 4_554 2.3689(19) ?
    O2 S1 . 1.4786(17) ?
    O2 Na1 8_656 2.3452(19) ?
    O3 S1 . 1.4921(17) ?
    O3 Na13 1_554 2.4777(19) ?
    O4 S1 . 1.4773(17) ?
    O4 Na3 8_656 2.4173(19) ?
    O5 O15 . 1.458(2) ?
    O5 Na13 5_667 2.399(2) ?
    O5 H5 . 0.85(3) ?
    O11 S11 . 1.4666(18) ?
    O11 Na1 8_657 2.3179(19) ?
    O11 Na3 8_656 2.3623(19) ?
    O12 S11 . 1.4755(18) ?
    O12 Na13 4 2.414(2) ?
    O13 S11 . 1.4945(18) ?
    O13 Na3 1_556 2.458(2) ?
    O14 S11 . 1.4759(17) ?
    O14 Na11 4 2.3457(19) ?
    O15 Na3 5_666 2.380(2) ?
    O15 H15 . 0.86(4) ?
    S1 Na3 8_656 3.3621(11) ?
    S11 Na13 4 3.3872(11) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Na1 Br1 Na1 7_667 8_657 114.53(4) ?
    Na1 Br1 Na1 7_667 2_655 107.005(19) ?
    Na1 Br1 Na1 8_657 2_655 107.005(19) ?
    Na1 Br1 Na1 7_667 . 107.005(19) ?
    Na1 Br1 Na1 8_657 . 107.005(19) ?
    Na1 Br1 Na1 2_655 . 114.53(4) ?
    Na1 Br1 Na3 7_667 8_656 178.43(2) ?
    Na1 Br1 Na3 8_657 8_656 64.30(3) ?
    Na1 Br1 Na3 2_655 8_656 72.65(3) ?
    Na1 Br1 Na3 . 8_656 74.47(3) ?
    Na1 Br1 Na3 7_667 1_556 74.47(3) ?
    Na1 Br1 Na3 8_657 1_556 72.65(3) ?
    Na1 Br1 Na3 2_655 1_556 178.43(2) ?
    Na1 Br1 Na3 . 1_556 64.30(3) ?
    Na3 Br1 Na3 8_656 1_556 105.890(16) ?
    Na1 Br1 Na3 7_667 7_666 64.30(3) ?
    Na1 Br1 Na3 8_657 7_666 178.43(3) ?
    Na1 Br1 Na3 2_655 7_666 74.47(3) ?
    Na1 Br1 Na3 . 7_666 72.65(3) ?
    Na3 Br1 Na3 8_656 7_666 116.90(3) ?
    Na3 Br1 Na3 1_556 7_666 105.890(16) ?
    Na1 Br1 Na3 7_667 2_656 72.65(3) ?
    Na1 Br1 Na3 8_657 2_656 74.47(3) ?
    Na1 Br1 Na3 2_655 2_656 64.30(3) ?
    Na1 Br1 Na3 . 2_656 178.43(3) ?
    Na3 Br1 Na3 8_656 2_656 105.890(16) ?
    Na3 Br1 Na3 1_556 2_656 116.90(3) ?
    Na3 Br1 Na3 7_666 2_656 105.890(16) ?
    Na11 Br11 Na11 . 2 111.00(4) ?
    Na11 Br11 Na11 . 4 71.29(2) ?
    Na11 Br11 Na11 2 4 71.29(2) ?
    Na11 Br11 Na11 . 3 71.29(2) ?
    Na11 Br11 Na11 2 3 71.29(2) ?
    Na11 Br11 Na11 4 3 111.00(4) ?
    Na11 Br11 Na13 . 2_554 175.17(3) ?
    Na11 Br11 Na13 2 2_554 64.26(3) ?
    Na11 Br11 Na13 4 2_554 107.13(3) ?
    Na11 Br11 Na13 3 2_554 105.52(3) ?
    Na11 Br11 Na13 . 1_554 64.26(3) ?
    Na11 Br11 Na13 2 1_554 175.17(3) ?
    Na11 Br11 Na13 4 1_554 105.52(3) ?
    Na11 Br11 Na13 3 1_554 107.13(3) ?
    Na13 Br11 Na13 2_554 1_554 120.49(4) ?
    Na11 Br11 Na13 . 3_554 105.52(3) ?
    Na11 Br11 Na13 2 3_554 107.13(3) ?
    Na11 Br11 Na13 4 3_554 175.17(3) ?
    Na11 Br11 Na13 3 3_554 64.26(3) ?
    Na13 Br11 Na13 2_554 3_554 75.742(17) ?
    Na13 Br11 Na13 1_554 3_554 75.742(17) ?
    Na11 Br11 Na13 . 4_554 107.13(3) ?
    Na11 Br11 Na13 2 4_554 105.52(3) ?
    Na11 Br11 Na13 4 4_554 64.26(3) ?
    Na11 Br11 Na13 3 4_554 175.17(3) ?
    Na13 Br11 Na13 2_554 4_554 75.742(17) ?
    Na13 Br11 Na13 1_554 4_554 75.742(17) ?
    Na13 Br11 Na13 3_554 4_554 120.49(4) ?
    O4 Na1 O11 . 7_667 175.40(8) ?
    O4 Na1 O2 . 7_666 88.27(7) ?
    O11 Na1 O2 7_667 7_666 96.00(7) ?
    O4 Na1 O5 . . 89.57(7) ?
    O11 Na1 O5 7_667 . 88.20(7) ?
    O2 Na1 O5 7_666 . 97.37(7) ?
    O4 Na1 O13 . . 92.23(7) ?
    O11 Na1 O13 7_667 . 83.45(6) ?
    O2 Na1 O13 7_666 . 178.06(7) ?
    O5 Na1 O13 . . 80.76(6) ?
    O4 Na1 Br1 . . 92.96(5) ?
    O11 Na1 Br1 7_667 . 88.53(5) ?
    O2 Na1 Br1 7_666 . 93.08(5) ?
    O5 Na1 Br1 . . 169.32(6) ?
    O13 Na1 Br1 . . 88.77(5) ?
    O4 Na1 Na3 . 1_556 131.23(6) ?
    O11 Na1 Na3 7_667 1_556 45.97(5) ?
    O2 Na1 Na3 7_666 1_556 132.62(6) ?
    O5 Na1 Na3 . 1_556 106.42(6) ?
    O13 Na1 Na3 . 1_556 47.91(4) ?
    Br1 Na1 Na3 . 1_556 64.37(3) ?
    O4 Na1 Na2 . . 45.36(5) ?
    O11 Na1 Na2 7_667 . 139.23(6) ?
    O2 Na1 Na2 7_666 . 46.10(5) ?
    O5 Na1 Na2 . . 108.15(6) ?
    O13 Na1 Na2 . . 134.96(5) ?
    Br1 Na1 Na2 . . 80.78(2) ?
    Na3 Na1 Na2 1_556 . 145.13(4) ?
    O4 Na1 Na3 . 7_666 106.14(5) ?
    O11 Na1 Na3 7_667 7_666 78.35(5) ?
    O2 Na1 Na3 7_666 7_666 38.21(5) ?
    O5 Na1 Na3 . 7_666 129.76(6) ?
    O13 Na1 Na3 . 7_666 143.17(5) ?
    Br1 Na1 Na3 . 7_666 59.25(2) ?
    Na3 Na1 Na3 1_556 7_666 98.17(3) ?
    Na2 Na1 Na3 . 7_666 62.33(2) ?
    O4 Na1 Na13 . 5_667 119.30(6) ?
    O11 Na1 Na13 7_667 5_667 60.70(5) ?
    O2 Na1 Na13 7_666 5_667 73.16(5) ?
    O5 Na1 Na13 . 5_667 39.87(5) ?
    O13 Na1 Na13 . 5_667 104.98(5) ?
    Br1 Na1 Na13 . 5_667 143.67(4) ?
    Na3 Na1 Na13 1_556 5_667 100.15(3) ?
    Na2 Na1 Na13 . 5_667 109.20(3) ?
    Na3 Na1 Na13 7_666 5_667 93.61(3) ?
    O4 Na1 Na3 . 8_656 38.90(5) ?
    O11 Na1 Na3 7_667 8_656 140.36(6) ?
    O2 Na1 Na3 7_666 8_656 105.83(5) ?
    O5 Na1 Na3 . 8_656 120.34(6) ?
    O13 Na1 Na3 . 8_656 75.67(5) ?
    Br1 Na1 Na3 . 8_656 58.16(2) ?
    Na3 Na1 Na3 1_556 8_656 96.65(3) ?
    Na2 Na1 Na3 . 8_656 61.57(2) ?
    Na3 Na1 Na3 7_666 8_656 98.80(3) ?
    Na13 Na1 Na3 5_667 8_656 157.45(4) ?
    O4 Na1 H5 . . 70.6(7) ?
    O11 Na1 H5 7_667 . 107.3(8) ?
    O2 Na1 H5 7_666 . 94.0(7) ?
    O5 Na1 H5 . . 19.2(7) ?
    O13 Na1 H5 . . 84.4(7) ?
    Br1 Na1 H5 . . 161.8(7) ?
    Na3 Na1 H5 1_556 . 120.7(7) ?
    Na2 Na1 H5 . . 92.2(7) ?
    Na3 Na1 H5 7_666 . 131.5(7) ?
    Na13 Na1 H5 5_667 . 54.5(7) ?
    Na3 Na1 H5 8_656 . 103.8(7) ?
    O4 Na2 O4 8_656 2_655 102.85(3) ?
    O4 Na2 O4 8_656 . 102.85(3) ?
    O4 Na2 O4 2_655 . 123.73(7) ?
    O4 Na2 O4 8_656 7_666 123.73(7) ?
    O4 Na2 O4 2_655 7_666 102.85(3) ?
    O4 Na2 O4 . 7_666 102.85(3) ?
    O4 Na2 O2 8_656 . 77.96(5) ?
    O4 Na2 O2 2_655 . 179.11(5) ?
    O4 Na2 O2 . . 55.61(6) ?
    O4 Na2 O2 7_666 . 76.91(5) ?
    O4 Na2 O2 8_656 8_656 55.61(6) ?
    O4 Na2 O2 2_655 8_656 77.96(5) ?
    O4 Na2 O2 . 8_656 76.91(5) ?
    O4 Na2 O2 7_666 8_656 179.11(5) ?
    O2 Na2 O2 . 8_656 102.28(3) ?
    O4 Na2 O2 8_656 7_666 179.11(5) ?
    O4 Na2 O2 2_655 7_666 76.91(5) ?
    O4 Na2 O2 . 7_666 77.96(5) ?
    O4 Na2 O2 7_666 7_666 55.61(6) ?
    O2 Na2 O2 . 7_666 102.28(3) ?
    O2 Na2 O2 8_656 7_666 125.06(7) ?
    O4 Na2 O2 8_656 2_655 76.91(5) ?
    O4 Na2 O2 2_655 2_655 55.61(6) ?
    O4 Na2 O2 . 2_655 179.11(5) ?
    O4 Na2 O2 7_666 2_655 77.96(5) ?
    O2 Na2 O2 . 2_655 125.06(7) ?
    O2 Na2 O2 8_656 2_655 102.28(3) ?
    O2 Na2 O2 7_666 2_655 102.28(3) ?
    O4 Na2 S1 8_656 8_656 27.80(4) ?
    O4 Na2 S1 2_655 8_656 88.92(4) ?
    O4 Na2 S1 . 8_656 91.42(4) ?
    O4 Na2 S1 7_666 8_656 151.46(4) ?
    O2 Na2 S1 . 8_656 91.67(4) ?
    O2 Na2 S1 8_656 8_656 27.91(4) ?
    O2 Na2 S1 7_666 8_656 152.83(4) ?
    O2 Na2 S1 2_655 8_656 87.99(4) ?
    O4 Na2 S1 8_656 . 88.92(4) ?
    O4 Na2 S1 2_655 . 151.46(4) ?
    O4 Na2 S1 . . 27.80(4) ?
    O4 Na2 S1 7_666 . 91.42(4) ?
    O2 Na2 S1 . . 27.91(4) ?
    O2 Na2 S1 8_656 . 87.99(4) ?
    O2 Na2 S1 7_666 . 91.67(4) ?
    O2 Na2 S1 2_655 . 152.83(4) ?
    S1 Na2 S1 8_656 . 90 ?
    O4 Na2 S1 8_656 7_666 151.46(4) ?
    O4 Na2 S1 2_655 7_666 91.42(4) ?
    O4 Na2 S1 . 7_666 88.92(4) ?
    O4 Na2 S1 7_666 7_666 27.80(4) ?
    O2 Na2 S1 . 7_666 87.99(4) ?
    O2 Na2 S1 8_656 7_666 152.83(4) ?
    O2 Na2 S1 7_666 7_666 27.91(4) ?
    O2 Na2 S1 2_655 7_666 91.67(4) ?
    S1 Na2 S1 8_656 7_666 179.259(19) ?
    S1 Na2 S1 . 7_666 90 ?
    O4 Na2 S1 8_656 2_655 91.42(4) ?
    O4 Na2 S1 2_655 2_655 27.80(4) ?
    O4 Na2 S1 . 2_655 151.46(4) ?
    O4 Na2 S1 7_666 2_655 88.92(4) ?
    O2 Na2 S1 . 2_655 152.83(4) ?
    O2 Na2 S1 8_656 2_655 91.67(4) ?
    O2 Na2 S1 7_666 2_655 87.99(4) ?
    O2 Na2 S1 2_655 2_655 27.91(4) ?
    S1 Na2 S1 8_656 2_655 90 ?
    S1 Na2 S1 . 2_655 179.259(19) ?
    S1 Na2 S1 7_666 2_655 90 ?
    O2 Na3 O11 . 7_666 160.90(8) ?
    O2 Na3 O15 . 5_666 125.63(8) ?
    O11 Na3 O15 7_666 5_666 72.37(7) ?
    O2 Na3 O4 . 7_666 84.93(7) ?
    O11 Na3 O4 7_666 7_666 92.76(7) ?
    O15 Na3 O4 5_666 7_666 115.25(7) ?
    O2 Na3 O13 . 1_554 92.18(7) ?
    O11 Na3 O13 7_666 1_554 83.83(6) ?
    O15 Na3 O13 5_666 1_554 81.64(7) ?
    O4 Na3 O13 7_666 1_554 160.94(7) ?
    O2 Na3 Na1 . 1_554 120.18(6) ?
    O11 Na3 Na1 7_666 1_554 44.87(5) ?
    O15 Na3 Na1 5_666 1_554 95.93(6) ?
    O4 Na3 Na1 7_666 1_554 116.72(6) ?
    O13 Na3 Na1 1_554 1_554 49.43(4) ?
    O2 Na3 Br1 . 1_554 83.00(5) ?
    O11 Na3 Br1 7_666 1_554 77.92(5) ?
    O15 Na3 Br1 5_666 1_554 146.60(6) ?
    O4 Na3 Br1 7_666 1_554 80.64(5) ?
    O13 Na3 Br1 1_554 1_554 80.31(5) ?
    Na1 Na3 Br1 1_554 1_554 51.33(2) ?
    O2 Na3 S1 . 7_666 87.26(5) ?
    O11 Na3 S1 7_666 7_666 97.99(5) ?
    O15 Na3 S1 5_666 7_666 95.40(6) ?
    O4 Na3 S1 7_666 7_666 22.98(4) ?
    O13 Na3 S1 1_554 7_666 175.93(6) ?
    Na1 Na3 S1 1_554 7_666 134.02(4) ?
    Br1 Na3 S1 1_554 7_666 103.62(3) ?
    O2 Na3 Na11 . 5_666 130.63(6) ?
    O11 Na3 Na11 7_666 5_666 66.33(5) ?
    O15 Na3 Na11 5_666 5_666 40.53(5) ?
    O4 Na3 Na11 7_666 5_666 75.32(5) ?
    O13 Na3 Na11 1_554 5_666 119.60(6) ?
    Na1 Na3 Na11 1_554 5_666 109.10(3) ?
    Br1 Na3 Na11 1_554 5_666 135.25(3) ?
    S1 Na3 Na11 7_666 5_666 58.33(2) ?
    O2 Na3 Na1 . 8_656 38.74(5) ?
    O11 Na3 Na1 7_666 8_656 123.02(6) ?
    O15 Na3 Na1 5_666 8_656 146.64(6) ?
    O4 Na3 Na1 7_666 8_656 94.64(5) ?
    O13 Na3 Na1 1_554 8_656 72.00(5) ?
    Na1 Na3 Na1 1_554 8_656 82.40(3) ?
    Br1 Na3 Na1 1_554 8_656 48.10(2) ?
    S1 Na3 Na1 7_666 8_656 109.71(3) ?
    Na11 Na3 Na1 5_666 8_656 167.18(4) ?
    O2 Na3 Na1 . 7_666 95.11(5) ?
    O11 Na3 Na1 7_666 7_666 72.53(5) ?
    O15 Na3 Na1 5_666 7_666 131.97(6) ?
    O4 Na3 Na1 7_666 7_666 36.68(4) ?
    O13 Na3 Na1 1_554 7_666 125.41(6) ?
    Na1 Na3 Na1 1_554 7_666 81.21(3) ?
    Br1 Na3 Na1 1_554 7_666 47.37(2) ?
    S1 Na3 Na1 7_666 7_666 58.67(2) ?
    Na11 Na3 Na1 5_666 7_666 94.94(3) ?
    Na1 Na3 Na1 8_656 7_666 80.93(3) ?
    O2 Na3 Na2 . . 42.93(5) ?
    O11 Na3 Na2 7_666 . 129.43(6) ?
    O15 Na3 Na2 5_666 . 138.83(6) ?
    O4 Na3 Na2 7_666 . 42.63(4) ?
    O13 Na3 Na2 1_554 . 129.21(5) ?
    Na1 Na3 Na2 1_554 . 124.42(3) ?
    Br1 Na3 Na2 1_554 . 73.10(2) ?
    S1 Na3 Na2 7_666 . 52.009(17) ?
    Na11 Na3 Na2 5_666 . 109.65(3) ?
    Na1 Na3 Na2 8_656 . 57.93(2) ?
    Na1 Na3 Na2 7_666 . 57.29(2) ?
    O14 Na11 O1 . 3 176.42(8) ?
    O14 Na11 O14 . 3 87.23(9) ?
    O1 Na11 O14 3 3 96.16(7) ?
    O14 Na11 O15 . . 89.05(7) ?
    O1 Na11 O15 3 . 89.33(7) ?
    O14 Na11 O15 3 . 98.38(7) ?
    O14 Na11 O3 . . 92.04(7) ?
    O1 Na11 O3 3 . 84.56(6) ?
    O14 Na11 O3 3 . 179.08(7) ?
    O15 Na11 O3 . . 81.05(6) ?
    O14 Na11 Br11 . . 94.26(5) ?
    O1 Na11 Br11 3 . 86.69(5) ?
    O14 Na11 Br11 3 . 93.31(5) ?
    O15 Na11 Br11 . . 167.99(6) ?
    O3 Na11 Br11 . . 87.29(5) ?
    O14 Na11 Na13 . 1_554 131.21(6) ?
    O1 Na11 Na13 3 1_554 46.57(5) ?
    O14 Na11 Na13 3 1_554 132.06(6) ?
    O15 Na11 Na13 . 1_554 108.07(6) ?
    O3 Na11 Na13 . 1_554 48.86(4) ?
    Br11 Na11 Na13 . 1_554 61.36(3) ?
    O14 Na11 Na11 . 4 42.94(5) ?
    O1 Na11 Na11 3 4 136.63(5) ?
    O14 Na11 Na11 3 4 103.60(5) ?
    O15 Na11 Na11 . 4 124.50(6) ?
    O3 Na11 Na11 . 4 76.19(5) ?
    Br11 Na11 Na11 . 4 54.355(10) ?
    Na13 Na11 Na11 1_554 4 93.49(2) ?
    O14 Na11 Na11 . 3 103.87(5) ?
    O1 Na11 Na11 3 3 79.48(6) ?
    O14 Na11 Na11 3 3 41.93(5) ?
    O15 Na11 Na11 . 3 135.80(6) ?
    O3 Na11 Na11 . 3 138.87(4) ?
    Br11 Na11 Na11 . 3 54.355(10) ?
    Na13 Na11 Na11 1_554 3 94.79(2) ?
    Na11 Na11 Na11 4 3 90 ?
    O14 Na11 Na3 . 5_666 119.72(6) ?
    O1 Na11 Na3 3 5_666 60.40(5) ?
    O14 Na11 Na3 3 5_666 74.69(5) ?
    O15 Na11 Na3 . 5_666 40.56(5) ?
    O3 Na11 Na3 . 5_666 105.23(5) ?
    Br11 Na11 Na3 . 5_666 142.61(4) ?
    Na13 Na11 Na3 1_554 5_666 100.55(3) ?
    Na11 Na11 Na3 4 5_666 162.38(3) ?
    Na11 Na11 Na3 3 5_666 99.30(4) ?
    O14 Na11 Na12 . . 44.75(5) ?
    O1 Na11 Na12 3 . 138.83(6) ?
    O14 Na11 Na12 3 . 44.88(5) ?
    O15 Na11 Na12 . . 106.55(6) ?
    O3 Na11 Na12 . . 134.57(5) ?
    Br11 Na11 Na12 . . 83.71(3) ?
    Na13 Na11 Na12 1_554 . 145.06(4) ?
    Na11 Na11 Na12 4 . 62.489(15) ?
    Na11 Na11 Na12 3 . 62.489(15) ?
    Na3 Na11 Na12 5_666 . 108.73(3) ?
    O14 Na11 H15 . . 70.7(9) ?
    O1 Na11 H15 3 . 107.8(9) ?
    O14 Na11 H15 3 . 94.2(8) ?
    O15 Na11 H15 . . 18.6(9) ?
    O3 Na11 H15 . . 85.1(8) ?
    Br11 Na11 H15 . . 162.8(8) ?
    Na13 Na11 H15 1_554 . 122.3(9) ?
    Na11 Na11 H15 4 . 108.8(8) ?
    Na11 Na11 H15 3 . 135.9(8) ?
    Na3 Na11 H15 5_666 . 54.5(8) ?
    Na12 Na11 H15 . . 90.7(9) ?
    O12 Na12 O12 . 4 79.94(4) ?
    O12 Na12 O12 . 3 79.94(4) ?
    O12 Na12 O12 4 3 130.59(11) ?
    O12 Na12 O12 . 2 130.59(11) ?
    O12 Na12 O12 4 2 79.94(4) ?
    O12 Na12 O12 3 2 79.94(4) ?
    O12 Na12 O14 . 2 174.04(9) ?
    O12 Na12 O14 4 2 101.95(5) ?
    O12 Na12 O14 3 2 102.66(5) ?
    O12 Na12 O14 2 2 55.36(6) ?
    O12 Na12 O14 . 4 101.95(5) ?
    O12 Na12 O14 4 4 55.36(6) ?
    O12 Na12 O14 3 4 174.04(9) ?
    O12 Na12 O14 2 4 102.66(5) ?
    O14 Na12 O14 2 4 74.93(5) ?
    O12 Na12 O14 . 3 102.66(5) ?
    O12 Na12 O14 4 3 174.04(9) ?
    O12 Na12 O14 3 3 55.36(6) ?
    O12 Na12 O14 2 3 101.95(5) ?
    O14 Na12 O14 2 3 74.93(5) ?
    O14 Na12 O14 4 3 118.69(11) ?
    O12 Na12 O14 . . 55.36(6) ?
    O12 Na12 O14 4 . 102.66(5) ?
    O12 Na12 O14 3 . 101.95(5) ?
    O12 Na12 O14 2 . 174.04(9) ?
    O14 Na12 O14 2 . 118.69(11) ?
    O14 Na12 O14 4 . 74.93(5) ?
    O14 Na12 O14 3 . 74.93(5) ?
    O12 Na12 S11 . 2 158.04(9) ?
    O12 Na12 S11 4 2 92.46(4) ?
    O12 Na12 S11 3 2 89.87(4) ?
    O12 Na12 S11 2 2 27.54(4) ?
    O14 Na12 S11 2 2 27.92(4) ?
    O14 Na12 S11 4 2 90.19(4) ?
    O14 Na12 S11 3 2 86.97(4) ?
    O14 Na12 S11 . 2 146.50(8) ?
    O12 Na12 S11 . 4 92.46(4) ?
    O12 Na12 S11 4 4 27.54(4) ?
    O12 Na12 S11 3 4 158.04(9) ?
    O12 Na12 S11 2 4 89.87(4) ?
    O14 Na12 S11 2 4 86.97(4) ?
    O14 Na12 S11 4 4 27.92(4) ?
    O14 Na12 S11 3 4 146.50(8) ?
    O14 Na12 S11 . 4 90.19(4) ?
    S11 Na12 S11 2 4 89.864(4) ?
    O12 Na12 S11 . 3 89.87(4) ?
    O12 Na12 S11 4 3 158.04(9) ?
    O12 Na12 S11 3 3 27.54(4) ?
    O12 Na12 S11 2 3 92.46(4) ?
    O14 Na12 S11 2 3 90.19(4) ?
    O14 Na12 S11 4 3 146.50(8) ?
    O14 Na12 S11 3 3 27.92(4) ?
    O14 Na12 S11 . 3 86.97(4) ?
    S11 Na12 S11 2 3 89.864(4) ?
    S11 Na12 S11 4 3 174.41(7) ?
    O12 Na12 S11 . . 27.54(4) ?
    O12 Na12 S11 4 . 89.87(4) ?
    O12 Na12 S11 3 . 92.46(4) ?
    O12 Na12 S11 2 . 158.04(9) ?
    O14 Na12 S11 2 . 146.50(8) ?
    O14 Na12 S11 4 . 86.97(4) ?
    O14 Na12 S11 3 . 90.19(4) ?
    O14 Na12 S11 . . 27.92(4) ?
    S11 Na12 S11 2 . 174.41(7) ?
    S11 Na12 S11 4 . 89.864(4) ?
    S11 Na12 S11 3 . 89.864(4) ?
    O12 Na13 O1 . 3_556 162.63(8) ?
    O12 Na13 O5 . 5_667 124.29(7) ?
    O1 Na13 O5 3_556 5_667 72.03(7) ?
    O12 Na13 O12 . 3 86.01(9) ?
    O1 Na13 O12 3_556 3 92.92(7) ?
    O5 Na13 O12 5_667 3 112.44(7) ?
    O12 Na13 O3 . 1_556 92.68(7) ?
    O1 Na13 O3 3_556 1_556 83.32(6) ?
    O5 Na13 O3 5_667 1_556 82.15(7) ?
    O12 Na13 O3 3 1_556 163.10(7) ?
    O12 Na13 Br11 . 1_556 82.26(5) ?
    O1 Na13 Br11 3_556 1_556 80.46(5) ?
    O5 Na13 Br11 5_667 1_556 149.68(6) ?
    O12 Na13 Br11 3 1_556 80.91(5) ?
    O3 Na13 Br11 1_556 1_556 82.22(5) ?
    O12 Na13 Na11 . 1_556 121.20(6) ?
    O1 Na13 Na11 3_556 1_556 45.09(5) ?
    O5 Na13 Na11 5_667 1_556 96.17(6) ?
    O12 Na13 Na11 3 1_556 118.43(6) ?
    O3 Na13 Na11 1_556 1_556 48.82(4) ?
    Br11 Na13 Na11 1_556 1_556 54.38(2) ?
    O12 Na13 S11 . 3 87.36(5) ?
    O1 Na13 S11 3_556 3 98.22(5) ?
    O5 Na13 S11 5_667 3 93.30(5) ?
    O12 Na13 S11 3 3 22.36(4) ?
    O3 Na13 S11 1_556 3 174.52(6) ?
    Br11 Na13 S11 1_556 3 103.20(3) ?
    Na11 Na13 S11 1_556 3 135.23(4) ?
    O12 Na13 S11 . . 20.93(4) ?
    O1 Na13 S11 3_556 . 176.30(6) ?
    O5 Na13 S11 5_667 . 104.27(6) ?
    O12 Na13 S11 3 . 88.39(5) ?
    O3 Na13 S11 1_556 . 96.39(5) ?
    Br11 Na13 S11 1_556 . 103.17(3) ?
    Na11 Na13 S11 1_556 . 136.71(4) ?
    S11 Na13 S11 3 . 81.73(3) ?
    O12 Na13 Na12 . . 43.52(5) ?
    O1 Na13 Na12 3_556 . 129.70(6) ?
    O5 Na13 Na12 5_667 . 138.38(6) ?
    O12 Na13 Na12 3 . 43.75(4) ?
    O3 Na13 Na12 1_556 . 129.50(5) ?
    Br11 Na13 Na12 1_556 . 70.20(3) ?
    Na11 Na13 Na12 1_556 . 124.57(4) ?
    S11 Na13 Na12 3 . 53.05(2) ?
    S11 Na13 Na12 . . 53.04(2) ?
    O12 Na13 Na1 . 5_667 129.74(6) ?
    O1 Na13 Na1 3_556 5_667 65.91(5) ?
    O5 Na13 Na1 5_667 5_667 39.72(5) ?
    O12 Na13 Na1 3 5_667 73.49(5) ?
    O3 Na13 Na1 1_556 5_667 119.11(5) ?
    Br11 Na13 Na1 1_556 5_667 135.86(3) ?
    Na11 Na13 Na1 1_556 5_667 108.87(3) ?
    S11 Na13 Na1 3 5_667 57.39(2) ?
    S11 Na13 Na1 . 5_667 111.25(3) ?
    Na12 Na13 Na1 . 5_667 109.96(3) ?
    O12 Na13 Na3 . 1_556 72.38(5) ?
    O1 Na13 Na3 3_556 1_556 118.82(6) ?
    O5 Na13 Na3 5_667 1_556 57.39(5) ?
    O12 Na13 Na3 3 1_556 135.22(6) ?
    O3 Na13 Na3 1_556 1_556 59.37(5) ?
    Br11 Na13 Na3 1_556 1_556 131.72(3) ?
    Na11 Na13 Na3 1_556 1_556 106.28(3) ?
    S11 Na13 Na3 3 1_556 115.55(3) ?
    S11 Na13 Na3 . 1_556 58.23(2) ?
    Na12 Na13 Na3 . 1_556 111.19(3) ?
    Na1 Na13 Na3 5_667 1_556 90.66(3) ?
    S1 O1 Na11 . 4 127.47(10) ?
    S1 O1 Na13 . 4_554 128.41(9) ?
    Na11 O1 Na13 4 4_554 88.34(7) ?
    S1 O2 Na3 . . 125.40(10) ?
    S1 O2 Na1 . 8_656 127.52(10) ?
    Na3 O2 Na1 . 8_656 103.05(7) ?
    S1 O2 Na2 . . 97.20(9) ?
    Na3 O2 Na2 . . 99.42(6) ?
    Na1 O2 Na2 8_656 . 93.06(6) ?
    S1 O3 Na11 . . 126.40(10) ?
    S1 O3 Na13 . 1_554 126.19(9) ?
    Na11 O3 Na13 . 1_554 82.32(6) ?
    S1 O4 Na1 . . 133.74(10) ?
    S1 O4 Na3 . 8_656 117.32(9) ?
    Na1 O4 Na3 . 8_656 104.42(7) ?
    S1 O4 Na2 . . 98.36(9) ?
    Na1 O4 Na2 . . 94.87(6) ?
    Na3 O4 Na2 8_656 . 97.56(6) ?
    O15 O5 Na1 . . 108.50(12) ?
    O15 O5 Na13 . 5_667 117.32(13) ?
    Na1 O5 Na13 . 5_667 100.41(7) ?
    O15 O5 H5 . . 101(2) ?
    Na1 O5 H5 . . 94(2) ?
    Na13 O5 H5 5_667 . 131(2) ?
    S11 O11 Na1 . 8_657 126.62(10) ?
    S11 O11 Na3 . 8_656 129.28(10) ?
    Na1 O11 Na3 8_657 8_656 89.16(7) ?
    S11 O12 Na13 . . 124.86(10) ?
    S11 O12 Na13 . 4 119.14(10) ?
    Na13 O12 Na13 . 4 110.89(9) ?
    S11 O12 Na12 . . 100.48(10) ?
    Na13 O12 Na12 . . 96.99(7) ?
    Na13 O12 Na12 4 . 94.66(7) ?
    S11 O13 Na3 . 1_556 127.32(9) ?
    S11 O13 Na1 . . 124.91(10) ?
    Na3 O13 Na1 1_556 . 82.66(6) ?
    S11 O14 Na11 . . 134.46(10) ?
    S11 O14 Na11 . 4 126.65(10) ?
    Na11 O14 Na11 . 4 95.13(8) ?
    S11 O14 Na12 . . 95.38(9) ?
    Na11 O14 Na12 . . 97.31(7) ?
    Na11 O14 Na12 4 . 96.20(7) ?
    O5 O15 Na11 . . 109.07(13) ?
    O5 O15 Na3 . 5_666 115.88(13) ?
    Na11 O15 Na3 . 5_666 98.91(7) ?
    O5 O15 H15 . . 102(3) ?
    Na11 O15 H15 . . 100(3) ?
    Na3 O15 H15 5_666 . 129(3) ?
    O1 S1 O4 . . 109.46(10) ?
    O1 S1 O2 . . 110.11(10) ?
    O4 S1 O2 . . 108.47(11) ?
    O1 S1 O3 . . 109.99(11) ?
    O4 S1 O3 . . 109.69(9) ?
    O2 S1 O3 . . 109.09(10) ?
    O11 S11 O12 . . 109.62(10) ?
    O11 S11 O14 . . 110.02(10) ?
    O12 S11 O14 . . 108.45(11) ?
    O11 S11 O13 . . 110.01(11) ?
    O12 S11 O13 . . 109.38(10) ?
    O14 S11 O13 . . 109.33(10) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    O5 H5 O3 . 0.86(3) 1.85(3) 2.695(2) 166(3) yes
    O15 H15 O13 . 0.86(4) 1.86(4) 2.688(2) 161(4) yes
