##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and 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 is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# 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                                                              #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Poly[4,4'-iminodipyridinium
[di-μ₄-isophthalato-κ⁴O:O':O'':O''-di-μ₃-isophthalato-
κ³O:O':O'';κ⁴O:O':O'',O'''-trizinc(II)] dihydrate]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C10 H11 N3 2+, C32 H16 O16 Zn3 2-, 2(H2 O)'
_chemical_formula_sum     'C42 H31 N3 O18 Zn3'
_chemical_formula_iupac     '(C10 H11 N3) [Zn3 (C8 H4 O4)4], 2H2 O'
_chemical_formula_weight     1061.81
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.5780(13)
_cell_length_b     10.2149(14)
_cell_length_c     21.246(3)
_cell_angle_alpha     78.801(2)
_cell_angle_beta     86.868(2)
_cell_angle_gamma     87.773(2)
_cell_volume     2035.2(5)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     24469
_cell_measurement_theta_min     2.0
_cell_measurement_theta_max     28.3
_cell_measurement_temperature     173(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.54
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.12
_exptl_crystal_density_diffrn     1.729
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1072
_exptl_absorpt_coefficient_mu     1.840
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.617
_exptl_absorpt_correction_T_max     0.802
_exptl_special_details
;
;
_diffrn_ambient_temperature     173(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART 1K'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     24469
_diffrn_reflns_av_R_equivalents     0.024
_diffrn_reflns_av_sigmaI/netI     0.031
_diffrn_reflns_theta_min     2.0
_diffrn_reflns_theta_max     28.3
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.942
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -28
_diffrn_reflns_limit_l_max     27
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     0
_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 >
σ(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     9553
_reflns_number_gt     8108
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.044
_refine_ls_R_factor_gt     0.034
_refine_ls_wR_factor_gt     0.077
_refine_ls_wR_factor_ref     0.081
_refine_ls_goodness_of_fit_ref     1.07
_refine_ls_restrained_S_all     1.07
_refine_ls_number_reflns     9553
_refine_ls_number_parameters     619
_refine_ls_number_restraints     6
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
          'calc w=1/[σ²(Fo²)+(0.0267P)²+2.909P] 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     ?
_refine_ls_shift/su_max_lt     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.92
_refine_diff_density_min     -0.54
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Zn' 'Zn' 0.2839 1.4301
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2006)'
_computing_cell_refinement     'SAINT-Plus (Bruker, 2006)'
_computing_data_reduction     'SAINT-Plus  (Bruker, 2006)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
;
CrystalMaker (Palmer, 2007)
;
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _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
    Zn Zn1 0.19902(3) 0.26767(3) 0.246490(13) 0.01234(6) Uani d . 1 . .
    Zn Zn2 0.26205(3) 0.12585(3) 0.120459(13) 0.01308(7) Uani d . 1 . .
    Zn Zn3 0.12868(3) 0.40139(3) 0.372471(12) 0.01223(7) Uani d . 1 . .
    O O1 0.25397(19) 0.31307(16) 0.07148(8) 0.0198(4) Uani d . 1 . .
    O O1W 0.3318(2) 0.7891(3) 0.26301(11) 0.0473(7) Uani d D 1 . .
    H H1A 0.263(3) 0.747(4) 0.2846(15) 0.057 Uiso d D 1 . .
    H H1B 0.304(4) 0.816(4) 0.2245(10) 0.057 Uiso d D 1 . .
    O O2 0.24293(18) 0.39914(16) 0.16108(8) 0.0163(3) Uani d . 1 . .
    O O2WB 0.0297(4) 1.2705(5) -0.01008(17) 0.0353(10) Uani d P 0.50 . .
    O O3 0.3008(2) 1.01970(17) 0.04816(8) 0.0221(4) Uani d . 1 . .
    O O2WA 0.0059(6) 0.9448(6) 0.0086(2) 0.0554(17) Uani d P 0.50 . .
    O O4 0.2498(2) 0.89274(18) 0.14176(8) 0.0238(4) Uani d . 1 . .
    O O5 0.16648(18) 0.22390(16) 0.42778(8) 0.0176(4) Uani d . 1 . .
    O O6 0.15301(18) 0.14730(16) 0.33667(8) 0.0167(3) Uani d . 1 . .
    O O7 0.12225(19) -0.47631(16) 0.43426(8) 0.0177(4) Uani d . 1 . .
    O O8 0.1139(2) -0.33392(17) 0.34139(8) 0.0214(4) Uani d . 1 . .
    O O9 0.01511(17) 0.36945(17) 0.24508(8) 0.0181(4) Uani d . 1 . .
    O O10 -0.06132(17) 0.39961(17) 0.34319(8) 0.0169(3) Uani d . 1 . .
    O O11 -0.71777(16) 0.41254(16) 0.30577(8) 0.0149(3) Uani d . 1 . .
    O O12 -0.58193(19) 0.4146(2) 0.38758(8) 0.0268(4) Uani d . 1 . .
    O O13 0.45204(17) 0.12092(17) 0.15619(8) 0.0181(4) Uani d . 1 . .
    O O14 0.38613(17) 0.17370(17) 0.25117(8) 0.0179(4) Uani d . 1 . .
    O O15 0.9879(2) 0.1151(2) 0.11281(9) 0.0270(4) Uani d . 1 . .
    O O16 1.11797(17) 0.12825(16) 0.19406(8) 0.0156(3) Uani d . 1 . .
    N N1 -0.1435(3) 0.8121(4) 0.11834(13) 0.0565(10) Uani d D 1 . .
    H H1N -0.096(4) 0.819(4) 0.0802(13) 0.068 Uiso d D 1 . .
    N N2 -0.3877(2) 0.7558(2) 0.28617(10) 0.0184(4) Uani d D 1 . .
    H H2N -0.4749(19) 0.770(3) 0.2783(14) 0.022 Uiso d D 1 . .
    N N3 -0.3498(2) 0.6593(2) 0.48259(11) 0.0261(5) Uani d D 1 . .
    H H3N -0.346(3) 0.635(3) 0.5245(9) 0.031 Uiso d D 1 . .
    C C1 0.2898(3) 0.5447(2) 0.06242(11) 0.0159(5) Uani d . 1 . .
    C C2 0.2758(3) 0.6576(2) 0.09009(11) 0.0158(5) Uani d . 1 . .
    H H2 0.2443 0.6497 0.1328 0.019 Uiso calc R 1 . .
    C C3 0.3089(3) 0.7831(2) 0.05381(11) 0.0162(5) Uani d . 1 . .
    C C4 0.3613(3) 0.7939(2) -0.00916(12) 0.0214(5) Uani d . 1 . .
    H H4 0.3863 0.8767 -0.0330 0.026 Uiso calc R 1 . .
    C C5 0.3764(3) 0.6809(3) -0.03659(12) 0.0250(6) Uani d . 1 . .
    H H5 0.4120 0.6881 -0.0787 0.030 Uiso calc R 1 . .
    C C6 0.3384(3) 0.5574(3) -0.00129(12) 0.0225(5) Uani d . 1 . .
    H H6 0.3455 0.4827 -0.0204 0.027 Uiso calc R 1 . .
    C C7 0.2587(2) 0.4086(2) 0.10189(11) 0.0146(5) Uani d . 1 . .
    C C8 0.2853(3) 0.9050(2) 0.08303(12) 0.0163(5) Uani d . 1 . .
    C C11 0.1663(2) -0.0103(2) 0.43341(11) 0.0142(4) Uani d . 1 . .
    C C12 0.1514(2) -0.1155(2) 0.40159(11) 0.0148(5) Uani d . 1 . .
    H H12 0.1466 -0.0985 0.3571 0.018 Uiso calc R 1 . .
    C C13 0.1436(2) -0.2461(2) 0.43602(11) 0.0139(4) Uani d . 1 . .
    C C14 0.1530(3) -0.2708(2) 0.50250(11) 0.0179(5) Uani d . 1 . .
    H H14 0.1470 -0.3577 0.5258 0.021 Uiso calc R 1 . .
    C C15 0.1712(3) -0.1665(2) 0.53413(12) 0.0216(5) Uani d . 1 . .
    H H15 0.1796 -0.1837 0.5784 0.026 Uiso calc R 1 . .
    C C16 0.1768(3) -0.0366(2) 0.49976(12) 0.0200(5) Uani d . 1 . .
    H H16 0.1877 0.0333 0.5212 0.024 Uiso calc R 1 . .
    C C17 0.1636(2) 0.1306(2) 0.39605(11) 0.0135(4) Uani d . 1 . .
    C C18 0.1254(2) -0.3577(2) 0.40070(11) 0.0138(4) Uani d . 1 . .
    C C21 -0.2241(2) 0.4197(2) 0.26180(11) 0.0133(4) Uani d . 1 . .
    C C22 -0.3393(2) 0.4109(2) 0.30544(11) 0.0138(4) Uani d . 1 . .
    H H22 -0.3264 0.3884 0.3493 0.017 Uiso calc R 1 . .
    C C23 -0.4731(2) 0.4356(2) 0.28326(11) 0.0136(4) Uani d . 1 . .
    C C24 -0.4919(3) 0.4767(2) 0.21774(11) 0.0159(5) Uani d . 1 . .
    H H24 -0.5812 0.4978 0.2030 0.019 Uiso calc R 1 . .
    C C25 -0.3769(3) 0.4861(2) 0.17443(11) 0.0168(5) Uani d . 1 . .
    H H25 -0.3895 0.5137 0.1307 0.020 Uiso calc R 1 . .
    C C26 -0.2433(3) 0.4545(2) 0.19603(11) 0.0162(5) Uani d . 1 . .
    H H26 -0.1671 0.4566 0.1668 0.019 Uiso calc R 1 . .
    C C27 -0.0791(2) 0.3933(2) 0.28499(11) 0.0140(4) Uani d . 1 . .
    C C28 -0.5976(2) 0.4193(2) 0.32967(11) 0.0150(5) Uani d . 1 . .
    C C31 -0.0791(3) 0.7817(4) 0.17389(15) 0.0416(8) Uani d . 1 . .
    H H31 0.0181 0.7741 0.1731 0.050 Uiso calc R 1 . .
    C C32 -0.1520(3) 0.7618(3) 0.23121(13) 0.0246(6) Uani d . 1 . .
    H H32 -0.1054 0.7407 0.2693 0.030 Uiso calc R 1 . .
    C C33 -0.2983(3) 0.7733(2) 0.23259(12) 0.0184(5) Uani d . 1 . .
    C C34 -0.3620(3) 0.8093(3) 0.17313(13) 0.0246(6) Uani d . 1 . .
    H H34 -0.4588 0.8202 0.1723 0.030 Uiso calc R 1 . .
    C C35 -0.2832(4) 0.8282(4) 0.11717(14) 0.0387(8) Uani d . 1 . .
    H H35 -0.3259 0.8522 0.0781 0.046 Uiso calc R 1 . .
    C C36 -0.2372(3) 0.6433(3) 0.44465(13) 0.0270(6) Uani d . 1 . .
    H H36 -0.1537 0.6113 0.4632 0.032 Uiso calc R 1 . .
    C C37 -0.2419(3) 0.6728(3) 0.37923(13) 0.0253(6) Uani d . 1 . .
    H H37 -0.1625 0.6596 0.3537 0.030 Uiso calc R 1 . .
    C C38 -0.3657(3) 0.7229(2) 0.35070(12) 0.0173(5) Uani d . 1 . .
    C C39 -0.4817(3) 0.7387(3) 0.39210(13) 0.0327(7) Uani d . 1 . .
    H H39 -0.5664 0.7717 0.3752 0.039 Uiso calc R 1 . .
    C C40 -0.4708(3) 0.7060(4) 0.45719(14) 0.0376(8) Uani d . 1 . .
    H H40 -0.5486 0.7162 0.4842 0.045 Uiso calc R 1 . .
    C C41 0.6209(2) 0.1089(2) 0.23487(11) 0.0134(4) Uani d . 1 . .
    C C42 0.7377(2) 0.1208(2) 0.19237(11) 0.0140(4) Uani d . 1 . .
    H H42 0.7264 0.1428 0.1483 0.017 Uiso calc R 1 . .
    C C43 0.8713(2) 0.0996(2) 0.21573(11) 0.0140(4) Uani d . 1 . .
    C C44 0.8875(2) 0.0575(2) 0.28136(12) 0.0158(5) Uani d . 1 . .
    H H44 0.9766 0.0409 0.2970 0.019 Uiso calc R 1 . .
    C C45 0.7707(3) 0.0402(2) 0.32346(11) 0.0174(5) Uani d . 1 . .
    H H45 0.7816 0.0085 0.3671 0.021 Uiso calc R 1 . .
    C C46 0.6379(3) 0.0698(2) 0.30081(12) 0.0166(5) Uani d . 1 . .
    H H46 0.5604 0.0638 0.3294 0.020 Uiso calc R 1 . .
    C C47 0.4750(2) 0.1373(2) 0.21204(11) 0.0137(4) Uani d . 1 . .
    C C48 0.9977(2) 0.1169(2) 0.17032(12) 0.0159(5) Uani d . 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Zn1 0.01115(13) 0.01362(13) 0.01198(13) 0.00081(10) 0.00085(10) -0.00242(10)
    Zn2 0.01370(14) 0.01262(13) 0.01368(13) -0.00055(10) -0.00062(10)
                                                                    -0.00445(10)
    Zn3 0.01145(13) 0.01246(13) 0.01351(13) -0.00087(10) -0.00011(10)
                                                                    -0.00432(10)
    O1 0.0310(10) 0.0129(8) 0.0157(8) 0.0005(7) -0.0012(7) -0.0039(7)
    O1W 0.0225(11) 0.0826(19) 0.0267(12) -0.0079(12) -0.0048(9) 0.0168(12)
    O2 0.0202(9) 0.0156(8) 0.0124(8) -0.0043(7) 0.0009(7) -0.0010(6)
    O2WB 0.032(2) 0.065(3) 0.0106(17) -0.002(2) 0.0014(16) -0.0108(18)
    O3 0.0345(11) 0.0132(8) 0.0194(9) -0.0016(7) 0.0004(8) -0.0051(7)
    O2WA 0.045(3) 0.099(5) 0.026(3) -0.019(4) 0.005(2) -0.020(3)
    O4 0.0344(11) 0.0198(9) 0.0183(9) 0.0018(8) 0.0026(8) -0.0081(7)
    O5 0.0249(9) 0.0117(8) 0.0170(8) -0.0014(7) -0.0015(7) -0.0042(6)
    O6 0.0215(9) 0.0150(8) 0.0134(8) -0.0041(7) -0.0018(7) -0.0013(6)
    O7 0.0257(9) 0.0121(8) 0.0158(8) -0.0008(7) -0.0003(7) -0.0039(6)
    O8 0.0312(10) 0.0185(9) 0.0152(8) -0.0039(8) -0.0011(7) -0.0043(7)
    O9 0.0120(8) 0.0227(9) 0.0184(9) 0.0038(7) 0.0024(7) -0.0025(7)
    O10 0.0113(8) 0.0234(9) 0.0170(8) -0.0015(7) -0.0014(6) -0.0060(7)
    O11 0.0106(8) 0.0171(8) 0.0174(8) -0.0016(6) 0.0007(6) -0.0043(7)
    O12 0.0174(9) 0.0480(12) 0.0158(9) -0.0067(8) 0.0021(7) -0.0078(8)
    O13 0.0141(8) 0.0237(9) 0.0174(8) -0.0005(7) -0.0016(7) -0.0061(7)
    O14 0.0129(8) 0.0211(9) 0.0205(9) 0.0025(7) -0.0023(7) -0.0064(7)
    O15 0.0216(10) 0.0446(12) 0.0166(9) -0.0027(8) 0.0013(7) -0.0103(8)
    O16 0.0112(8) 0.0150(8) 0.0214(9) -0.0012(6) 0.0010(7) -0.0062(7)
    N1 0.0381(17) 0.114(3) 0.0187(13) -0.0153(18) 0.0111(12) -0.0176(16)
    N2 0.0169(10) 0.0220(11) 0.0156(10) -0.0020(8) -0.0008(8) -0.0015(8)
    N3 0.0263(12) 0.0364(13) 0.0147(11) -0.0025(10) -0.0025(9) -0.0020(10)
    C1 0.0201(12) 0.0134(11) 0.0130(11) -0.0002(9) 0.0001(9) 0.0000(9)
    C2 0.0182(12) 0.0160(11) 0.0130(11) 0.0010(9) 0.0008(9) -0.0030(9)
    C3 0.0194(12) 0.0141(11) 0.0157(11) 0.0004(9) -0.0014(9) -0.0044(9)
    C4 0.0323(15) 0.0115(11) 0.0185(12) 0.0001(10) 0.0038(11) 0.0005(9)
    C5 0.0417(17) 0.0186(13) 0.0131(12) 0.0007(11) 0.0081(11) -0.0020(10)
    C6 0.0365(15) 0.0153(12) 0.0158(12) 0.0008(11) 0.0035(11) -0.0051(9)
    C7 0.0138(11) 0.0135(11) 0.0158(11) 0.0007(9) -0.0016(9) -0.0007(9)
    C8 0.0165(12) 0.0143(11) 0.0193(12) 0.0007(9) -0.0044(9) -0.0056(9)
    C11 0.0153(11) 0.0122(11) 0.0150(11) -0.0001(9) -0.0004(9) -0.0024(9)
    C12 0.0146(11) 0.0157(11) 0.0139(11) -0.0001(9) -0.0007(9) -0.0021(9)
    C13 0.0135(11) 0.0132(11) 0.0155(11) -0.0006(8) 0.0000(9) -0.0039(9)
    C14 0.0252(13) 0.0124(11) 0.0152(11) -0.0012(9) 0.0012(10) -0.0011(9)
    C15 0.0362(15) 0.0177(12) 0.0106(11) -0.0022(11) -0.0013(10) -0.0016(9)
    C16 0.0314(14) 0.0150(11) 0.0150(11) -0.0022(10) -0.0011(10) -0.0061(9)
    C17 0.0101(11) 0.0136(11) 0.0163(11) -0.0013(8) -0.0001(9) -0.0016(9)
    C18 0.0118(11) 0.0128(11) 0.0170(11) -0.0020(8) 0.0025(9) -0.0041(9)
    C21 0.0123(11) 0.0111(10) 0.0166(11) -0.0007(8) -0.0004(9) -0.0032(9)
    C22 0.0151(11) 0.0152(11) 0.0116(10) -0.0018(9) -0.0012(9) -0.0030(9)
    C23 0.0133(11) 0.0121(10) 0.0158(11) -0.0022(8) 0.0015(9) -0.0040(9)
    C24 0.0132(11) 0.0165(11) 0.0181(12) -0.0010(9) -0.0018(9) -0.0032(9)
    C25 0.0191(12) 0.0203(12) 0.0110(11) -0.0017(9) -0.0024(9) -0.0020(9)
    C26 0.0148(11) 0.0173(11) 0.0168(11) -0.0018(9) 0.0035(9) -0.0047(9)
    C27 0.0138(11) 0.0093(10) 0.0188(11) -0.0023(8) 0.0003(9) -0.0024(9)
    C28 0.0138(11) 0.0143(11) 0.0169(11) -0.0011(9) 0.0012(9) -0.0036(9)
    C31 0.0277(16) 0.069(2) 0.0312(17) -0.0091(16) 0.0051(13) -0.0172(16)
    C32 0.0250(14) 0.0270(14) 0.0231(13) -0.0051(11) -0.0018(11) -0.0071(11)
    C33 0.0265(13) 0.0106(11) 0.0186(12) -0.0045(9) 0.0011(10) -0.0035(9)
    C34 0.0292(15) 0.0229(13) 0.0214(13) -0.0001(11) -0.0023(11) -0.0032(10)
    C35 0.0403(19) 0.058(2) 0.0184(14) -0.0066(16) -0.0017(13) -0.0067(14)
    C36 0.0232(14) 0.0327(15) 0.0224(13) 0.0026(11) -0.0030(11) 0.0010(11)
    C37 0.0216(13) 0.0315(15) 0.0202(13) 0.0056(11) 0.0014(11) -0.0001(11)
    C38 0.0199(12) 0.0151(11) 0.0166(12) -0.0025(9) -0.0016(10) -0.0022(9)
    C39 0.0151(13) 0.061(2) 0.0211(14) 0.0032(13) -0.0022(11) -0.0054(13)
    C40 0.0201(15) 0.069(2) 0.0217(14) 0.0003(14) 0.0023(11) -0.0058(14)
    C41 0.0126(11) 0.0103(10) 0.0180(11) -0.0003(8) -0.0035(9) -0.0033(9)
    C42 0.0162(11) 0.0131(11) 0.0135(11) -0.0024(9) -0.0013(9) -0.0039(9)
    C43 0.0136(11) 0.0118(10) 0.0175(11) -0.0010(8) 0.0002(9) -0.0055(9)
    C44 0.0141(11) 0.0147(11) 0.0200(12) -0.0013(9) -0.0067(9) -0.0046(9)
    C45 0.0214(13) 0.0175(12) 0.0135(11) -0.0026(10) -0.0030(9) -0.0026(9)
    C46 0.0164(12) 0.0164(11) 0.0172(12) -0.0019(9) 0.0020(9) -0.0043(9)
    C47 0.0122(11) 0.0098(10) 0.0183(11) -0.0022(8) 0.0009(9) -0.0008(9)
    C48 0.0142(11) 0.0143(11) 0.0194(12) -0.0011(9) 0.0016(9) -0.0046(9)
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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
    Zn1 O14 . 1.9980(17) ?
    Zn1 O9 . 2.0089(17) ?
    Zn1 O2 . 2.0705(16) ?
    Zn1 O6 . 2.1005(16) ?
    Zn1 O16 1_455 2.1607(16) ?
    Zn1 O11 1_655 2.3100(16) ?
    Zn2 O1 . 1.9927(17) ?
    Zn2 O13 . 2.0048(17) ?
    Zn2 O16 1_455 2.0314(17) ?
    Zn2 O3 1_545 2.0559(17) ?
    Zn2 O4 1_545 2.3422(18) ?
    Zn3 O10 . 1.9569(16) ?
    Zn3 O11 1_655 1.9766(16) ?
    Zn3 O7 1_565 1.9773(16) ?
    Zn3 O5 . 1.9917(17) ?
    O1 C7 . 1.274(3) ?
    O1W H1A . 0.863(18) ?
    O1W H1B . 0.863(18) ?
    O2 C7 . 1.244(3) ?
    O3 C8 . 1.268(3) ?
    O4 C8 . 1.259(3) ?
    O5 C17 . 1.272(3) ?
    O6 C17 . 1.249(3) ?
    O7 C18 . 1.281(3) ?
    O8 C18 . 1.246(3) ?
    O9 C27 . 1.253(3) ?
    O10 C27 . 1.272(3) ?
    O11 C28 . 1.293(3) ?
    O12 C28 . 1.239(3) ?
    O13 C47 . 1.262(3) ?
    O14 C47 . 1.254(3) ?
    O15 C48 . 1.234(3) ?
    O16 C48 . 1.301(3) ?
    N1 C31 . 1.339(4) ?
    N1 C35 . 1.343(4) ?
    N1 H1N . 0.901(19) ?
    N2 C38 . 1.373(3) ?
    N2 C33 . 1.374(3) ?
    N2 H2N . 0.862(17) ?
    N3 C36 . 1.335(4) ?
    N3 C40 . 1.337(4) ?
    N3 H3N . 0.880(17) ?
    C1 C6 . 1.390(3) ?
    C1 C2 . 1.392(3) ?
    C1 C7 . 1.509(3) ?
    C2 C3 . 1.400(3) ?
    C2 H2 . 0.9300 ?
    C3 C4 . 1.388(3) ?
    C3 C8 . 1.500(3) ?
    C4 C5 . 1.390(4) ?
    C4 H4 . 0.9300 ?
    C5 C6 . 1.387(3) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C11 C12 . 1.391(3) ?
    C11 C16 . 1.391(3) ?
    C11 C17 . 1.503(3) ?
    C12 C13 . 1.394(3) ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.393(3) ?
    C13 C18 . 1.502(3) ?
    C14 C15 . 1.387(3) ?
    C14 H14 . 0.9300 ?
    C15 C16 . 1.386(3) ?
    C15 H15 . 0.9300 ?
    C16 H16 . 0.9300 ?
    C21 C26 . 1.394(3) ?
    C21 C22 . 1.396(3) ?
    C21 C27 . 1.496(3) ?
    C22 C23 . 1.386(3) ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.393(3) ?
    C23 C28 . 1.499(3) ?
    C24 C25 . 1.390(3) ?
    C24 H24 . 0.9300 ?
    C25 C26 . 1.388(3) ?
    C25 H25 . 0.9300 ?
    C26 H26 . 0.9300 ?
    C31 C32 . 1.354(4) ?
    C31 H31 . 0.9300 ?
    C32 C33 . 1.401(4) ?
    C32 H32 . 0.9300 ?
    C33 C34 . 1.411(4) ?
    C34 C35 . 1.358(4) ?
    C34 H34 . 0.9300 ?
    C35 H35 . 0.9300 ?
    C36 C37 . 1.367(4) ?
    C36 H36 . 0.9300 ?
    C37 C38 . 1.396(4) ?
    C37 H37 . 0.9300 ?
    C38 C39 . 1.403(4) ?
    C39 C40 . 1.367(4) ?
    C39 H39 . 0.9300 ?
    C40 H40 . 0.9300 ?
    C41 C42 . 1.392(3) ?
    C41 C46 . 1.397(3) ?
    C41 C47 . 1.503(3) ?
    C42 C43 . 1.392(3) ?
    C42 H42 . 0.9300 ?
    C43 C44 . 1.393(3) ?
    C43 C48 . 1.500(3) ?
    C44 C45 . 1.388(3) ?
    C44 H44 . 0.9300 ?
    C45 C46 . 1.386(3) ?
    C45 H45 . 0.9300 ?
    C46 H46 . 0.9300 ?
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
    O14 Zn1 O9 . . 176.55(7) ?
    O14 Zn1 O2 . . 96.23(7) ?
    O9 Zn1 O2 . . 84.01(7) ?
    O14 Zn1 O6 . . 85.68(7) ?
    O9 Zn1 O6 . . 93.84(7) ?
    O2 Zn1 O6 . . 175.51(6) ?
    O14 Zn1 O16 . 1_455 91.83(7) ?
    O9 Zn1 O16 . 1_455 91.61(7) ?
    O2 Zn1 O16 . 1_455 90.24(6) ?
    O6 Zn1 O16 . 1_455 93.76(6) ?
    O14 Zn1 O11 . 1_655 88.41(6) ?
    O9 Zn1 O11 . 1_655 88.14(7) ?
    O2 Zn1 O11 . 1_655 91.68(6) ?
    O6 Zn1 O11 . 1_655 84.30(6) ?
    O16 Zn1 O11 1_455 1_655 178.03(6) ?
    O1 Zn2 O13 . . 100.18(7) ?
    O1 Zn2 O16 . 1_455 103.26(7) ?
    O13 Zn2 O16 . 1_455 107.64(7) ?
    O1 Zn2 O3 . 1_545 101.82(7) ?
    O13 Zn2 O3 . 1_545 101.12(7) ?
    O16 Zn2 O3 1_455 1_545 137.35(7) ?
    O1 Zn2 O4 . 1_545 159.21(7) ?
    O13 Zn2 O4 . 1_545 92.86(7) ?
    O16 Zn2 O4 1_455 1_545 87.90(6) ?
    O3 Zn2 O4 1_545 1_545 59.44(6) ?
    O10 Zn3 O11 . 1_655 116.47(7) ?
    O10 Zn3 O7 . 1_565 106.51(7) ?
    O11 Zn3 O7 1_655 1_565 119.79(7) ?
    O10 Zn3 O5 . . 107.06(7) ?
    O11 Zn3 O5 1_655 . 102.47(7) ?
    O7 Zn3 O5 1_565 . 102.88(7) ?
    C7 O1 Zn2 . . 118.93(15) ?
    H1A O1W H1B . . 106(3) ?
    C7 O2 Zn1 . . 143.82(16) ?
    C8 O3 Zn2 . 1_565 96.33(14) ?
    C8 O4 Zn2 . 1_565 83.55(14) ?
    C17 O5 Zn3 . . 111.28(15) ?
    C17 O6 Zn1 . . 146.85(15) ?
    C18 O7 Zn3 . 1_545 106.38(14) ?
    C27 O9 Zn1 . . 137.38(16) ?
    C27 O10 Zn3 . . 119.50(15) ?
    C28 O11 Zn3 . 1_455 111.44(14) ?
    C28 O11 Zn1 . 1_455 131.84(15) ?
    Zn3 O11 Zn1 1_455 1_455 98.76(7) ?
    C47 O13 Zn2 . . 124.81(15) ?
    C47 O14 Zn1 . . 136.38(16) ?
    C48 O16 Zn2 . 1_655 105.49(14) ?
    C48 O16 Zn1 . 1_655 133.79(15) ?
    Zn2 O16 Zn1 1_655 1_655 103.84(7) ?
    C31 N1 C35 . . 121.3(3) ?
    C31 N1 H1N . . 122(3) ?
    C35 N1 H1N . . 117(3) ?
    C38 N2 C33 . . 132.6(2) ?
    C38 N2 H2N . . 113(2) ?
    C33 N2 H2N . . 115(2) ?
    C36 N3 C40 . . 120.4(2) ?
    C36 N3 H3N . . 120(2) ?
    C40 N3 H3N . . 119(2) ?
    C6 C1 C2 . . 119.4(2) ?
    C6 C1 C7 . . 120.1(2) ?
    C2 C1 C7 . . 120.4(2) ?
    C1 C2 C3 . . 120.2(2) ?
    C1 C2 H2 . . 119.9 ?
    C3 C2 H2 . . 119.9 ?
    C4 C3 C2 . . 119.8(2) ?
    C4 C3 C8 . . 120.6(2) ?
    C2 C3 C8 . . 119.7(2) ?
    C3 C4 C5 . . 119.9(2) ?
    C3 C4 H4 . . 120.0 ?
    C5 C4 H4 . . 120.0 ?
    C6 C5 C4 . . 120.1(2) ?
    C6 C5 H5 . . 119.9 ?
    C4 C5 H5 . . 119.9 ?
    C5 C6 C1 . . 120.4(2) ?
    C5 C6 H6 . . 119.8 ?
    C1 C6 H6 . . 119.8 ?
    O2 C7 O1 . . 125.9(2) ?
    O2 C7 C1 . . 117.3(2) ?
    O1 C7 C1 . . 116.8(2) ?
    O4 C8 O3 . . 120.6(2) ?
    O4 C8 C3 . . 119.8(2) ?
    O3 C8 C3 . . 119.6(2) ?
    O4 C8 Zn2 . 1_565 66.84(13) ?
    O3 C8 Zn2 . 1_565 53.82(12) ?
    C3 C8 Zn2 . 1_565 173.03(18) ?
    C12 C11 C16 . . 119.6(2) ?
    C12 C11 C17 . . 119.5(2) ?
    C16 C11 C17 . . 120.9(2) ?
    C11 C12 C13 . . 120.3(2) ?
    C11 C12 H12 . . 119.8 ?
    C13 C12 H12 . . 119.8 ?
    C14 C13 C12 . . 119.5(2) ?
    C14 C13 C18 . . 121.2(2) ?
    C12 C13 C18 . . 119.4(2) ?
    C15 C14 C13 . . 120.3(2) ?
    C15 C14 H14 . . 119.9 ?
    C13 C14 H14 . . 119.9 ?
    C16 C15 C14 . . 120.0(2) ?
    C16 C15 H15 . . 120.0 ?
    C14 C15 H15 . . 120.0 ?
    C15 C16 C11 . . 120.3(2) ?
    C15 C16 H16 . . 119.8 ?
    C11 C16 H16 . . 119.8 ?
    O6 C17 O5 . . 125.0(2) ?
    O6 C17 C11 . . 117.7(2) ?
    O5 C17 C11 . . 117.3(2) ?
    O8 C18 O7 . . 122.5(2) ?
    O8 C18 C13 . . 120.5(2) ?
    O7 C18 C13 . . 117.0(2) ?
    C26 C21 C22 . . 120.1(2) ?
    C26 C21 C27 . . 119.4(2) ?
    C22 C21 C27 . . 120.6(2) ?
    C23 C22 C21 . . 119.9(2) ?
    C23 C22 H22 . . 120.0 ?
    C21 C22 H22 . . 120.0 ?
    C22 C23 C24 . . 120.0(2) ?
    C22 C23 C28 . . 120.1(2) ?
    C24 C23 C28 . . 119.9(2) ?
    C25 C24 C23 . . 119.9(2) ?
    C25 C24 H24 . . 120.1 ?
    C23 C24 H24 . . 120.1 ?
    C26 C25 C24 . . 120.4(2) ?
    C26 C25 H25 . . 119.8 ?
    C24 C25 H25 . . 119.8 ?
    C25 C26 C21 . . 119.6(2) ?
    C25 C26 H26 . . 120.2 ?
    C21 C26 H26 . . 120.2 ?
    O9 C27 O10 . . 125.5(2) ?
    O9 C27 C21 . . 117.3(2) ?
    O10 C27 C21 . . 117.2(2) ?
    O12 C28 O11 . . 123.6(2) ?
    O12 C28 C23 . . 119.8(2) ?
    O11 C28 C23 . . 116.6(2) ?
    N1 C31 C32 . . 121.6(3) ?
    N1 C31 H31 . . 119.2 ?
    C32 C31 H31 . . 119.2 ?
    C31 C32 C33 . . 119.4(3) ?
    C31 C32 H32 . . 120.3 ?
    C33 C32 H32 . . 120.3 ?
    N2 C33 C32 . . 126.9(2) ?
    N2 C33 C34 . . 115.8(2) ?
    C32 C33 C34 . . 117.3(2) ?
    C35 C34 C33 . . 120.6(3) ?
    C35 C34 H34 . . 119.7 ?
    C33 C34 H34 . . 119.7 ?
    N1 C35 C34 . . 119.8(3) ?
    N1 C35 H35 . . 120.1 ?
    C34 C35 H35 . . 120.1 ?
    N3 C36 C37 . . 121.5(3) ?
    N3 C36 H36 . . 119.3 ?
    C37 C36 H36 . . 119.3 ?
    C36 C37 C38 . . 120.0(3) ?
    C36 C37 H37 . . 120.0 ?
    C38 C37 H37 . . 120.0 ?
    N2 C38 C37 . . 127.0(2) ?
    N2 C38 C39 . . 116.1(2) ?
    C37 C38 C39 . . 116.9(2) ?
    C40 C39 C38 . . 120.3(3) ?
    C40 C39 H39 . . 119.8 ?
    C38 C39 H39 . . 119.8 ?
    N3 C40 C39 . . 120.9(3) ?
    N3 C40 H40 . . 119.6 ?
    C39 C40 H40 . . 119.6 ?
    C42 C41 C46 . . 119.8(2) ?
    C42 C41 C47 . . 121.9(2) ?
    C46 C41 C47 . . 118.2(2) ?
    C43 C42 C41 . . 120.1(2) ?
    C43 C42 H42 . . 120.0 ?
    C41 C42 H42 . . 120.0 ?
    C42 C43 C44 . . 119.8(2) ?
    C42 C43 C48 . . 120.3(2) ?
    C44 C43 C48 . . 119.9(2) ?
    C45 C44 C43 . . 120.0(2) ?
    C45 C44 H44 . . 120.0 ?
    C43 C44 H44 . . 120.0 ?
    C46 C45 C44 . . 120.3(2) ?
    C46 C45 H45 . . 119.9 ?
    C44 C45 H45 . . 119.9 ?
    C45 C46 C41 . . 119.8(2) ?
    C45 C46 H46 . . 120.1 ?
    C41 C46 H46 . . 120.1 ?
    O14 C47 O13 . . 125.8(2) ?
    O14 C47 C41 . . 116.3(2) ?
    O13 C47 C41 . . 117.9(2) ?
    O15 C48 O16 . . 121.4(2) ?
    O15 C48 C43 . . 120.8(2) ?
    O16 C48 C43 . . 117.8(2) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O13 Zn2 O1 C7 . . . . -62.52(19) ?
    O16 Zn2 O1 C7 1_455 . . . 48.50(19) ?
    O3 Zn2 O1 C7 1_545 . . . -166.28(18) ?
    O4 Zn2 O1 C7 1_545 . . . 169.47(18) ?
    C8 Zn2 O1 C7 1_545 . . . -171.67(16) ?
    O14 Zn1 O2 C7 . . . . 74.6(3) ?
    O9 Zn1 O2 C7 . . . . -108.8(3) ?
    O16 Zn1 O2 C7 1_455 . . . -17.2(3) ?
    O11 Zn1 O2 C7 1_655 . . . 163.2(3) ?
    O10 Zn3 O5 C17 . . . . 63.03(17) ?
    O11 Zn3 O5 C17 1_655 . . . -60.01(16) ?
    O7 Zn3 O5 C17 1_565 . . . 175.06(15) ?
    O14 Zn1 O6 C17 . . . . 82.3(3) ?
    O9 Zn1 O6 C17 . . . . -94.3(3) ?
    O16 Zn1 O6 C17 1_455 . . . 173.8(3) ?
    O11 Zn1 O6 C17 1_655 . . . -6.6(3) ?
    O2 Zn1 O9 C27 . . . . -155.4(2) ?
    O6 Zn1 O9 C27 . . . . 20.6(2) ?
    O16 Zn1 O9 C27 1_455 . . . 114.5(2) ?
    O11 Zn1 O9 C27 1_655 . . . -63.5(2) ?
    O11 Zn3 O10 C27 1_655 . . . 6.36(19) ?
    O7 Zn3 O10 C27 1_565 . . . 142.94(16) ?
    O5 Zn3 O10 C27 . . . . -107.54(17) ?
    O1 Zn2 O13 C47 . . . . 97.71(19) ?
    O16 Zn2 O13 C47 1_455 . . . -9.8(2) ?
    O3 Zn2 O13 C47 1_545 . . . -157.96(18) ?
    O4 Zn2 O13 C47 1_545 . . . -98.55(18) ?
    C8 Zn2 O13 C47 1_545 . . . -127.97(19) ?
    O2 Zn1 O14 C47 . . . . -37.1(2) ?
    O6 Zn1 O14 C47 . . . . 147.0(2) ?
    O16 Zn1 O14 C47 1_455 . . . 53.3(2) ?
    O11 Zn1 O14 C47 1_655 . . . -128.6(2) ?
    C6 C1 C2 C3 . . . . 0.7(4) ?
    C7 C1 C2 C3 . . . . 178.0(2) ?
    C1 C2 C3 C4 . . . . -2.6(4) ?
    C1 C2 C3 C8 . . . . 176.4(2) ?
    C2 C3 C4 C5 . . . . 2.1(4) ?
    C8 C3 C4 C5 . . . . -176.9(2) ?
    C3 C4 C5 C6 . . . . 0.4(4) ?
    C4 C5 C6 C1 . . . . -2.3(4) ?
    C2 C1 C6 C5 . . . . 1.8(4) ?
    C7 C1 C6 C5 . . . . -175.6(2) ?
    Zn1 O2 C7 O1 . . . . -2.7(4) ?
    Zn1 O2 C7 C1 . . . . 178.93(18) ?
    Zn2 O1 C7 O2 . . . . -13.8(3) ?
    Zn2 O1 C7 C1 . . . . 164.62(16) ?
    C6 C1 C7 O2 . . . . 165.9(2) ?
    C2 C1 C7 O2 . . . . -11.4(3) ?
    C6 C1 C7 O1 . . . . -12.6(3) ?
    C2 C1 C7 O1 . . . . 170.1(2) ?
    Zn2 O4 C8 O3 1_565 . . . -2.6(2) ?
    Zn2 O4 C8 C3 1_565 . . . 177.7(2) ?
    Zn2 O3 C8 O4 1_565 . . . 3.0(3) ?
    Zn2 O3 C8 C3 1_565 . . . -177.37(19) ?
    C4 C3 C8 O4 . . . . -173.6(2) ?
    C2 C3 C8 O4 . . . . 7.3(4) ?
    C4 C3 C8 O3 . . . . 6.7(4) ?
    C2 C3 C8 O3 . . . . -172.4(2) ?
    C16 C11 C12 C13 . . . . 1.5(4) ?
    C17 C11 C12 C13 . . . . -175.4(2) ?
    C11 C12 C13 C14 . . . . -0.9(3) ?
    C11 C12 C13 C18 . . . . 179.1(2) ?
    C12 C13 C14 C15 . . . . -0.6(4) ?
    C18 C13 C14 C15 . . . . 179.4(2) ?
    C13 C14 C15 C16 . . . . 1.5(4) ?
    C14 C15 C16 C11 . . . . -0.9(4) ?
    C12 C11 C16 C15 . . . . -0.6(4) ?
    C17 C11 C16 C15 . . . . 176.3(2) ?
    Zn1 O6 C17 O5 . . . . 32.2(4) ?
    Zn1 O6 C17 C11 . . . . -150.8(2) ?
    Zn3 O5 C17 O6 . . . . 7.0(3) ?
    Zn3 O5 C17 C11 . . . . -170.05(15) ?
    C12 C11 C17 O6 . . . . -2.6(3) ?
    C16 C11 C17 O6 . . . . -179.5(2) ?
    C12 C11 C17 O5 . . . . 174.6(2) ?
    C16 C11 C17 O5 . . . . -2.3(3) ?
    Zn3 O7 C18 O8 1_545 . . . 9.1(3) ?
    Zn3 O7 C18 C13 1_545 . . . -170.95(16) ?
    C14 C13 C18 O8 . . . . 178.4(2) ?
    C12 C13 C18 O8 . . . . -1.7(3) ?
    C14 C13 C18 O7 . . . . -1.6(3) ?
    C12 C13 C18 O7 . . . . 178.3(2) ?
    C26 C21 C22 C23 . . . . 0.6(3) ?
    C27 C21 C22 C23 . . . . -180.0(2) ?
    C21 C22 C23 C24 . . . . -3.7(3) ?
    C21 C22 C23 C28 . . . . 176.8(2) ?
    C22 C23 C24 C25 . . . . 3.4(3) ?
    C28 C23 C24 C25 . . . . -177.2(2) ?
    C23 C24 C25 C26 . . . . 0.1(4) ?
    C24 C25 C26 C21 . . . . -3.2(4) ?
    C22 C21 C26 C25 . . . . 2.9(3) ?
    C27 C21 C26 C25 . . . . -176.6(2) ?
    Zn1 O9 C27 O10 . . . . 29.2(4) ?
    Zn1 O9 C27 C21 . . . . -152.36(18) ?
    Zn3 O10 C27 O9 . . . . 10.4(3) ?
    Zn3 O10 C27 C21 . . . . -168.02(15) ?
    C26 C21 C27 O9 . . . . -18.2(3) ?
    C22 C21 C27 O9 . . . . 162.4(2) ?
    C26 C21 C27 O10 . . . . 160.4(2) ?
    C22 C21 C27 O10 . . . . -19.0(3) ?
    Zn3 O11 C28 O12 1_455 . . . 2.3(3) ?
    Zn1 O11 C28 O12 1_455 . . . -122.5(2) ?
    Zn3 O11 C28 C23 1_455 . . . -176.84(15) ?
    Zn1 O11 C28 C23 1_455 . . . 58.3(3) ?
    C22 C23 C28 O12 . . . . 16.8(3) ?
    C24 C23 C28 O12 . . . . -162.7(2) ?
    C22 C23 C28 O11 . . . . -164.0(2) ?
    C24 C23 C28 O11 . . . . 16.5(3) ?
    C35 N1 C31 C32 . . . . 2.1(6) ?
    N1 C31 C32 C33 . . . . -0.1(5) ?
    C38 N2 C33 C32 . . . . -0.5(4) ?
    C38 N2 C33 C34 . . . . -179.2(2) ?
    C31 C32 C33 N2 . . . . 179.6(3) ?
    C31 C32 C33 C34 . . . . -1.8(4) ?
    N2 C33 C34 C35 . . . . -179.5(3) ?
    C32 C33 C34 C35 . . . . 1.7(4) ?
    C31 N1 C35 C34 . . . . -2.1(6) ?
    C33 C34 C35 N1 . . . . 0.2(5) ?
    C40 N3 C36 C37 . . . . -0.4(5) ?
    N3 C36 C37 C38 . . . . 1.0(4) ?
    C33 N2 C38 C37 . . . . -13.3(4) ?
    C33 N2 C38 C39 . . . . 168.3(3) ?
    C36 C37 C38 N2 . . . . -179.2(3) ?
    C36 C37 C38 C39 . . . . -0.8(4) ?
    N2 C38 C39 C40 . . . . 178.7(3) ?
    C37 C38 C39 C40 . . . . 0.1(4) ?
    C36 N3 C40 C39 . . . . -0.3(5) ?
    C38 C39 C40 N3 . . . . 0.5(5) ?
    C46 C41 C42 C43 . . . . -2.9(3) ?
    C47 C41 C42 C43 . . . . 177.0(2) ?
    C41 C42 C43 C44 . . . . 4.5(3) ?
    C41 C42 C43 C48 . . . . -177.9(2) ?
    C42 C43 C44 C45 . . . . -1.8(3) ?
    C48 C43 C44 C45 . . . . -179.4(2) ?
    C43 C44 C45 C46 . . . . -2.6(3) ?
    C44 C45 C46 C41 . . . . 4.2(4) ?
    C42 C41 C46 C45 . . . . -1.5(3) ?
    C47 C41 C46 C45 . . . . 178.7(2) ?
    Zn1 O14 C47 O13 . . . . -20.3(4) ?
    Zn1 O14 C47 C41 . . . . 160.78(16) ?
    Zn2 O13 C47 O14 . . . . -8.5(3) ?
    Zn2 O13 C47 C41 . . . . 170.41(15) ?
    C42 C41 C47 O14 . . . . -153.6(2) ?
    C46 C41 C47 O14 . . . . 26.3(3) ?
    C42 C41 C47 O13 . . . . 27.4(3) ?
    C46 C41 C47 O13 . . . . -152.7(2) ?
    Zn2 O16 C48 O15 1_655 . . . -4.2(3) ?
    Zn1 O16 C48 O15 1_655 . . . 123.4(2) ?
    Zn2 O16 C48 C43 1_655 . . . 173.05(16) ?
    Zn1 O16 C48 C43 1_655 . . . -59.4(3) ?
    C42 C43 C48 O15 . . . . -19.1(3) ?
    C44 C43 C48 O15 . . . . 158.5(2) ?
    C42 C43 C48 O16 . . . . 163.6(2) ?
    C44 C43 C48 O16 . . . . -18.8(3) ?
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
    O1W H1A O8 1_565 0.863(18) 1.921(19) 2.778(3) 172(4) y
    O1W H1B O4 . 0.863(18) 1.874(19) 2.733(3) 174(4) y
    N1 H1N O2WA . 0.901(19) 2.03(3) 2.808(6) 144(4) y
    N1 H1N O2WB 2_575 0.901(19) 1.96(3) 2.757(5) 147(4) y
    N2 H2N O1W 1_455 0.862(17) 1.893(18) 2.754(3) 176(3) y
    N3 H3N O12 2_466 0.880(17) 1.93(2) 2.764(3) 157(3) y
data_global
_journal_date_recd_electronic     2008-11-14
_journal_date_accepted     2008-11-17
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue     12
_journal_page_first     m1601
_journal_page_last     m1601
_journal_paper_category     QM
_journal_coeditor_code     TK2328
_publ_contact_author_name     'Robert L. LaDuca'
_publ_contact_author_address
;
Lyman Briggs College
Department of Chemistry
E-30 Holmes Hall
Michigan State University
East Lansing, MI 48825, USA
;
_publ_contact_author_email     laduca@msu.edu
_publ_contact_author_fax     517-432-2758
_publ_contact_author_phone     517-432-2268
_publ_section_title
;\
Poly[4,4'-iminodipyridinium
[di-μ₄-isophthalato-κ⁴O:O':O'':O''-di-μ₃-\
isophthalato-κ³O:O':O'';κ⁴O:O':\
O'',O'''-trizinc(II)] dihydrate]
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Braverman, Maxwell A.' .
;
Lyman Briggs College
Department of Chemistry
Michigan State University
East Lansing, MI 48825
USA
;
    'LaDuca, Robert L.' .
;
Lyman Briggs College
Department of Chemistry
Michigan State University
East Lansing, MI 48825
USA
;
_publ_section_synopsis     .
