##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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 2.1.    #
#                                                                            #
# 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                                                              #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
poly[aqua[μ-4-(4-chlorophenyl)-2-thioxo-2,3-dihydrothiazol-\
3-olato]sodium(I)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C9 H7 Cl N Na O2 S2'
_chemical_formula_sum     'C9 H7 Cl N Na O2 S2'
_chemical_formula_iupac     '[Na (C9 H5 Cl N O S2) (H2 O)]'
_chemical_formula_weight     283.72
_chemical_melting_point     ?
_symmetry_cell_setting     Orthorhombic
_symmetry_space_group_name_H-M     'P c a 21'
_symmetry_space_group_name_HALL     'P 2c -2ac'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, z+1/2'
    '-x+1/2, y, z+1/2'
    'x+1/2, -y, z'
_cell_length_a     39.264(5)
_cell_length_b     4.1680(10)
_cell_length_c     7.0970(10)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     1161.4(4)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     1313
_cell_measurement_theta_min     2.122
_cell_measurement_theta_max     23.064
_cell_measurement_temperature     300(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'light yellow'
_exptl_crystal_size_max     0.60
_exptl_crystal_size_mid     0.28
_exptl_crystal_size_min     0.02
_exptl_crystal_density_diffrn     1.623
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     576
_exptl_absorpt_coefficient_mu     0.706
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2007)
;
_exptl_absorpt_correction_T_min     0.6766
_exptl_absorpt_correction_T_max     0.9860
_exptl_special_details
;
  empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm]
;
_diffrn_ambient_temperature     300(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur with Sapphire CCD detector
;
_diffrn_measurement_method
;
Rotation method data acquisition using ω and φ
;
_diffrn_detector_area_resol_mean     8.4012
_diffrn_reflns_number     5052
_diffrn_reflns_av_R_equivalents     0.0363
_diffrn_reflns_av_sigmaI/netI     0.0572
_diffrn_reflns_theta_min     3.05
_diffrn_reflns_theta_max     26.37
_diffrn_reflns_theta_full     26.37
_diffrn_measured_fraction_theta_max     0.991
_diffrn_measured_fraction_theta_full     0.991
_diffrn_reflns_limit_h_min     -47
_diffrn_reflns_limit_h_max     48
_diffrn_reflns_limit_k_min     -2
_diffrn_reflns_limit_k_max     5
_diffrn_reflns_limit_l_min     -8
_diffrn_reflns_limit_l_max     8
_diffrn_standards_number     ?
_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 > 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     2288
_reflns_number_gt     1860
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0954
_refine_ls_R_factor_gt     0.0805
_refine_ls_wR_factor_gt     0.1679
_refine_ls_wR_factor_ref     0.1729
_refine_ls_goodness_of_fit_ref     1.200
_refine_ls_restrained_S_all     1.200
_refine_ls_number_reflns     2288
_refine_ls_number_parameters     151
_refine_ls_number_restraints     10
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                     'calc w=1/[σ²(Fo²)+10.6487P] 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     0.069
_refine_ls_shift/su_mean     0.010
_refine_diff_density_max     0.605
_refine_diff_density_min     -0.833
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983), 1009 Friedel pairs'
_refine_ls_abs_structure_Flack     0.1(2)
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'
    'S' 'S' 0.1246 0.1234
                         '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'
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2007)
;
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics
;
PLATON (Spek, 2003) and ORTEP-3 (Farrugia, 1997)
;
_computing_publication_material     'SHELXL97 (Sheldrick, 1997)'
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
    C C2 -0.1784(2) -0.0666(19) 0.0522(12) 0.0262(19) Uani d . 1 . .
    C C4 -0.1251(2) 0.049(2) 0.1720(12) 0.028(2) Uani d U 1 . .
    C C5 -0.1183(3) 0.058(3) -0.0110(13) 0.049(3) Uani d . 1 . .
    H H5 -0.0969 0.1047 -0.0602 0.059 Uiso calc R 1 . .
    C C6 -0.1010(2) 0.136(2) 0.3269(12) 0.030(2) Uani d . 1 . .
    C C7 -0.0672(2) 0.018(3) 0.3149(14) 0.041(3) Uani d . 1 . .
    H H7 -0.0608 -0.1245 0.2202 0.049 Uiso calc R 1 . .
    C C8 -0.0438(2) 0.122(3) 0.4503(16) 0.043(3) Uani d . 1 . .
    H H8 -0.0211 0.0592 0.4419 0.051 Uiso calc R 1 . .
    C C9 -0.0540(2) 0.314(3) 0.5942(14) 0.038(3) Uani d . 1 . .
    C C10 -0.0872(2) 0.429(2) 0.6068(15) 0.037(2) Uani d . 1 . .
    H H10 -0.0936 0.5677 0.7031 0.044 Uiso calc R 1 . .
    C C11 -0.1107(2) 0.330(2) 0.4701(12) 0.030(2) Uani d . 1 . .
    H H11 -0.1332 0.3973 0.4781 0.036 Uiso calc R 1 . .
    N N3 -0.15955(17) -0.031(2) 0.2072(9) 0.0271(18) Uani d . 1 . .
    O O1 -0.17113(14) -0.0646(14) 0.3820(7) 0.0230(13) Uani d . 1 . .
    O O2 -0.28942(14) 0.4205(16) -0.0027(9) 0.0314(15) Uani d D 1 . .
    H H2A -0.302(2) 0.266(16) -0.047(12) 0.038 Uiso d D 1 . .
    H H2B -0.299(2) 0.587(15) -0.058(12) 0.038 Uiso d D 1 . .
    S S1 -0.15330(7) -0.0274(8) -0.1467(3) 0.0431(7) Uani d . 1 . .
    S S2 -0.22082(5) -0.1443(5) 0.0407(3) 0.0271(4) Uani d . 1 . .
    Cl Cl1 -0.02523(8) 0.4352(8) 0.7662(5) 0.0758(11) Uani d . 1 . .
    Na Na1 -0.25584(8) 0.3625(9) 0.2703(5) 0.0320(8) Uani d . 1 . .
_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
    C2 N3 . 1.334(10) ?
    C2 S2 . 1.699(8) ?
    C2 S1 . 1.729(9) ?
    C4 C5 . 1.326(13) ?
    C4 N3 . 1.415(10) ?
    C4 C6 . 1.495(12) ?
    C5 S1 . 1.716(10) ?
    C5 H5 . 0.9300 ?
    C6 C11 . 1.352(12) ?
    C6 C7 . 1.420(12) ?
    C7 C8 . 1.398(13) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.359(14) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.389(13) ?
    C9 Cl1 . 1.738(9) ?
    C10 C11 . 1.402(12) ?
    C10 H10 . 0.9300 ?
    C11 H11 . 0.9300 ?
    N3 O1 . 1.329(8) ?
    O2 Na1 . 2.356(7) ?
    O2 Na1 3_454 2.411(7) ?
    O2 H2A . 0.88(5) ?
    O2 H2B . 0.89(5) ?
    S2 Na1 3_444 2.958(4) ?
    S2 Na1 1_545 2.961(4) ?
    S2 Na1 3_454 2.998(4) ?
    S2 Na1 . 3.001(4) ?
    Na1 O2 3_455 2.411(7) ?
    Na1 S2 3_465 2.958(4) ?
    Na1 S2 1_565 2.961(4) ?
    Na1 S2 3_455 2.998(4) ?
    Na1 Na1 3_454 3.5780(10) ?
    Na1 Na1 3_455 3.5780(10) ?
    Na1 Na1 1_565 4.1680(10) ?
    Na1 Na1 1_545 4.1680(10) ?
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
    N3 C2 S2 . . 127.2(6) ?
    N3 C2 S1 . . 110.3(6) ?
    S2 C2 S1 . . 122.5(5) ?
    C5 C4 N3 . . 111.8(9) ?
    C5 C4 C6 . . 125.8(8) ?
    N3 C4 C6 . . 122.1(7) ?
    C4 C5 S1 . . 112.5(8) ?
    C4 C5 H5 . . 123.8 ?
    S1 C5 H5 . . 123.8 ?
    C11 C6 C7 . . 121.1(8) ?
    C11 C6 C4 . . 121.3(8) ?
    C7 C6 C4 . . 117.6(8) ?
    C8 C7 C6 . . 117.7(9) ?
    C8 C7 H7 . . 121.2 ?
    C6 C7 H7 . . 121.2 ?
    C9 C8 C7 . . 120.4(9) ?
    C9 C8 H8 . . 119.8 ?
    C7 C8 H8 . . 119.8 ?
    C8 C9 C10 . . 121.9(9) ?
    C8 C9 Cl1 . . 120.4(8) ?
    C10 C9 Cl1 . . 117.7(9) ?
    C9 C10 C11 . . 118.1(10) ?
    C9 C10 H10 . . 120.9 ?
    C11 C10 H10 . . 120.9 ?
    C6 C11 C10 . . 120.7(9) ?
    C6 C11 H11 . . 119.6 ?
    C10 C11 H11 . . 119.7 ?
    O1 N3 C2 . . 124.6(7) ?
    O1 N3 C4 . . 121.1(6) ?
    C2 N3 C4 . . 114.2(7) ?
    Na1 O2 Na1 . 3_454 97.3(2) ?
    Na1 O2 H2A . . 123(6) ?
    Na1 O2 H2A 3_454 . 97(6) ?
    Na1 O2 H2B . . 134(6) ?
    Na1 O2 H2B 3_454 . 96(6) ?
    H2A O2 H2B . . 100(6) ?
    C5 S1 C2 . . 91.0(4) ?
    C2 S2 Na1 . 3_444 117.9(3) ?
    C2 S2 Na1 . 1_545 124.2(3) ?
    Na1 S2 Na1 3_444 1_545 74.38(9) ?
    C2 S2 Na1 . 3_454 101.3(3) ?
    Na1 S2 Na1 3_444 3_454 88.82(11) ?
    Na1 S2 Na1 1_545 3_454 134.38(7) ?
    C2 S2 Na1 . . 106.8(3) ?
    Na1 S2 Na1 3_444 . 134.38(7) ?
    Na1 S2 Na1 1_545 . 88.70(11) ?
    Na1 S2 Na1 3_454 . 73.23(9) ?
    O2 Na1 O2 . 3_455 162.1(3) ?
    O2 Na1 S2 . 3_465 106.8(2) ?
    O2 Na1 S2 3_455 3_465 74.03(18) ?
    O2 Na1 S2 . 1_565 74.71(19) ?
    O2 Na1 S2 3_455 1_565 87.46(18) ?
    S2 Na1 S2 3_465 1_565 91.06(13) ?
    O2 Na1 S2 . 3_455 115.3(2) ?
    O2 Na1 S2 3_455 3_455 82.42(17) ?
    S2 Na1 S2 3_465 3_455 88.82(11) ?
    S2 Na1 S2 1_565 3_455 169.51(13) ?
    O2 Na1 S2 . . 83.24(19) ?
    O2 Na1 S2 3_455 . 95.48(18) ?
    S2 Na1 S2 3_465 . 169.51(13) ?
    S2 Na1 S2 1_565 . 88.70(11) ?
    S2 Na1 S2 3_455 . 89.52(12) ?
    O2 Na1 Na1 . 3_454 41.94(16) ?
    O2 Na1 Na1 3_455 3_454 124.6(2) ?
    S2 Na1 Na1 3_465 3_454 133.11(9) ?
    S2 Na1 Na1 1_565 3_454 52.77(9) ?
    S2 Na1 Na1 3_455 3_454 132.39(9) ?
    S2 Na1 Na1 . 3_454 53.34(9) ?
    O2 Na1 Na1 . 3_455 152.5(2) ?
    O2 Na1 Na1 3_455 3_455 40.77(15) ?
    S2 Na1 Na1 3_465 3_455 52.85(8) ?
    S2 Na1 Na1 1_565 3_455 119.08(11) ?
    S2 Na1 Na1 3_455 3_455 53.43(8) ?
    S2 Na1 Na1 . 3_455 118.65(11) ?
    Na1 Na1 Na1 3_454 3_455 165.3(2) ?
    O2 Na1 Na1 . 1_565 84.11(18) ?
    O2 Na1 Na1 3_455 1_565 84.24(18) ?
    S2 Na1 Na1 3_465 1_565 45.98(8) ?
    S2 Na1 Na1 1_565 1_565 46.04(8) ?
    S2 Na1 Na1 3_455 1_565 134.80(8) ?
    S2 Na1 Na1 . 1_565 134.74(8) ?
    Na1 Na1 Na1 3_454 1_565 90.0 ?
    Na1 Na1 Na1 3_455 1_565 90.0 ?
    O2 Na1 Na1 . 1_545 95.89(18) ?
    O2 Na1 Na1 3_455 1_545 95.76(18) ?
    S2 Na1 Na1 3_465 1_545 134.02(8) ?
    S2 Na1 Na1 1_565 1_545 133.96(8) ?
    S2 Na1 Na1 3_455 1_545 45.20(8) ?
    S2 Na1 Na1 . 1_545 45.26(8) ?
    Na1 Na1 Na1 3_454 1_545 90.0 ?
    Na1 Na1 Na1 3_455 1_545 90.0 ?
    Na1 Na1 Na1 1_565 1_545 180.0000(10)
                                       ?
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
    N3 C4 C5 S1 . . . . 0.3(14) ?
    C6 C4 C5 S1 . . . . -174.8(8) ?
    C5 C4 C6 C11 . . . . 133.0(12) ?
    N3 C4 C6 C11 . . . . -41.7(13) ?
    C5 C4 C6 C7 . . . . -45.0(15) ?
    N3 C4 C6 C7 . . . . 140.3(10) ?
    C11 C6 C7 C8 . . . . -3.5(15) ?
    C4 C6 C7 C8 . . . . 174.5(9) ?
    C6 C7 C8 C9 . . . . 4.0(16) ?
    C7 C8 C9 C10 . . . . -3.7(16) ?
    C7 C8 C9 Cl1 . . . . 178.3(8) ?
    C8 C9 C10 C11 . . . . 2.7(15) ?
    Cl1 C9 C10 C11 . . . . -179.2(7) ?
    C7 C6 C11 C10 . . . . 2.7(14) ?
    C4 C6 C11 C10 . . . . -175.2(8) ?
    C9 C10 C11 C6 . . . . -2.2(14) ?
    S2 C2 N3 O1 . . . . 3.1(13) ?
    S1 C2 N3 O1 . . . . -176.2(7) ?
    S2 C2 N3 C4 . . . . -177.0(7) ?
    S1 C2 N3 C4 . . . . 3.7(10) ?
    C5 C4 N3 O1 . . . . 177.3(9) ?
    C6 C4 N3 O1 . . . . -7.4(14) ?
    C5 C4 N3 C2 . . . . -2.7(13) ?
    C6 C4 N3 C2 . . . . 172.7(8) ?
    C4 C5 S1 C2 . . . . 1.5(10) ?
    N3 C2 S1 C5 . . . . -2.9(8) ?
    S2 C2 S1 C5 . . . . 177.7(6) ?
    N3 C2 S2 Na1 . . . 3_444 -135.5(7) ?
    S1 C2 S2 Na1 . . . 3_444 43.7(6) ?
    N3 C2 S2 Na1 . . . 1_545 -46.0(9) ?
    S1 C2 S2 Na1 . . . 1_545 133.2(4) ?
    N3 C2 S2 Na1 . . . 3_454 129.8(8) ?
    S1 C2 S2 Na1 . . . 3_454 -51.0(6) ?
    N3 C2 S2 Na1 . . . . 54.1(8) ?
    S1 C2 S2 Na1 . . . . -126.7(5) ?
    Na1 O2 Na1 O2 3_454 . . 3_455 47.1(12) ?
    Na1 O2 Na1 S2 3_454 . . 3_465 137.05(17) ?
    Na1 O2 Na1 S2 3_454 . . 1_565 50.6(2) ?
    Na1 O2 Na1 S2 3_454 . . 3_455 -126.10(17) ?
    Na1 O2 Na1 S2 3_454 . . . -39.9(2) ?
    Na1 O2 Na1 Na1 3_454 . . 3_455 175.14(18) ?
    Na1 O2 Na1 Na1 3_454 . . 1_565 96.6(2) ?
    Na1 O2 Na1 Na1 3_454 . . 1_545 -83.4(2) ?
    C2 S2 Na1 O2 . . . . 129.3(3) ?
    Na1 S2 Na1 O2 3_444 . . . -38.8(3) ?
    Na1 S2 Na1 O2 1_545 . . . -105.24(18) ?
    Na1 S2 Na1 O2 3_454 . . . 32.28(18) ?
    C2 S2 Na1 O2 . . . 3_455 -32.8(3) ?
    Na1 S2 Na1 O2 3_444 . . 3_455 159.16(19) ?
    Na1 S2 Na1 O2 1_545 . . 3_455 92.68(18) ?
    Na1 S2 Na1 O2 3_454 . . 3_455 -129.80(19) ?
    C2 S2 Na1 S2 . . . 3_465 -34.2(10) ?
    Na1 S2 Na1 S2 3_444 . . 3_465 157.7(7) ?
    Na1 S2 Na1 S2 1_545 . . 3_465 91.2(9) ?
    Na1 S2 Na1 S2 3_454 . . 3_465 -131.3(9) ?
    C2 S2 Na1 S2 . . . 1_565 54.6(3) ?
    Na1 S2 Na1 S2 3_444 . . 1_565 -113.52(17) ?
    Na1 S2 Na1 S2 1_545 . . 1_565 180.0 ?
    Na1 S2 Na1 S2 3_454 . . 1_565 -42.48(9) ?
    C2 S2 Na1 S2 . . . 3_455 -115.1(3) ?
    Na1 S2 Na1 S2 3_444 . . 3_455 76.8(2) ?
    Na1 S2 Na1 S2 1_545 . . 3_455 10.34(13) ?
    Na1 S2 Na1 S2 3_454 . . 3_455 147.86(14) ?
    C2 S2 Na1 Na1 . . . 3_454 97.1(3) ?
    Na1 S2 Na1 Na1 3_444 . . 3_454 -71.04(19) ?
    Na1 S2 Na1 Na1 1_545 . . 3_454 -137.52(9) ?
    C2 S2 Na1 Na1 . . . 3_455 -68.2(3) ?
    Na1 S2 Na1 Na1 3_444 . . 3_455 123.7(2) ?
    Na1 S2 Na1 Na1 1_545 . . 3_455 57.21(18) ?
    Na1 S2 Na1 Na1 3_454 . . 3_455 -165.27(19) ?
    C2 S2 Na1 Na1 . . . 1_565 54.6(3) ?
    Na1 S2 Na1 Na1 3_444 . . 1_565 -113.52(17) ?
    Na1 S2 Na1 Na1 1_545 . . 1_565 180.0 ?
    Na1 S2 Na1 Na1 3_454 . . 1_565 -42.48(9) ?
    C2 S2 Na1 Na1 . . . 1_545 -125.4(3) ?
    Na1 S2 Na1 Na1 3_444 . . 1_545 66.48(17) ?
    Na1 S2 Na1 Na1 3_454 . . 1_545 137.52(9) ?
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
    O2 H2A O1 3_454 0.88(5) 1.80(5) 2.675(8) 175(9)
    O2 H2A N3 3_454 0.88(5) 2.61(6) 3.434(9) 156(8)
    O2 H2B O1 3_464 0.89(5) 1.91(6) 2.770(8) 164(9)
data_global
_journal_date_recd_electronic     2007-11-29
_journal_date_accepted     2007-12-19
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue      2
_journal_page_first     m299
_journal_page_last     m299
_journal_paper_category     QM
_journal_coeditor_code     SJ2452
_publ_contact_author
;
Jens Hartung
;
_publ_contact_author_email     hartung@chemie.uni-kl.de
_publ_contact_author_fax     '0631/ 2053921'
_publ_contact_author_phone     '0631/ 2052431'
_publ_section_title
;\
An instance of coordination polymer formation:
poly[aqua[μ-4-(4-chlorophenyl)-2-thioxo-2,3-dihydrothiazol-3-olato]\
sodium(I)]
;
loop_
    _publ_author_name
    _publ_author_address
    'Hartung, Jens'
;
Fachbereich Chemie, Organische Chemie,
Technische Universität Kaiserslautern, Erwin-Schrödinger-Straße,
D-67663 Kaiserslautern, Germany
;
    'Bachmann, Janina'
;
Fachbereich Chemie, Organische Chemie,
Technische Universität Kaiserslautern, Erwin-Schrödinger-Straße,
D-67663 Kaiserslautern, Germany
;
    'Svoboda, Ingrid'
;
Strukturforschung, FB 11, Material- und Geowissenschaften,
Technische Universität Darmstadt, Petersenstrasse 23,
D-64287 Darmstadt, Germany
;
    'Fuess, Hartmut'
;
Strukturforschung, FB 11, Material- und Geowissenschaften,
Technische Universität Darmstadt, Petersenstrasse 23,
D-64287 Darmstadt, Germany
;
