(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(5-thioxo-1,5-dihydro-1,3,4-thiadiazole-3-thiolato-κ<i>S</i>)zinc(II)
Zhang, Xiu-Ling; Qiu, Yu-E; Zhang, Cun-Lan; Xin, Bing-Wei; Acta Crystallographica Section E 63 (2007) m2381–m2382; doi:10.1107/S160053680704010X

data_2214952
_publ_section_title
(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')bis(5-thioxo-1,5-dihydro-1,3,4-thiadiazole-3-thiolato-\k<i>S</i>)zinc(II)
_journal_coeditor_code           AT2375
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2381
_journal_page_last               m2382
_journal_paper_doi               10.1107/S160053680704010X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C2 H N2 S3)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C14 H10 N6 S6 Zn'
_chemical_formula_sum            'C14 H10 N6 S6 Zn'
_chemical_formula_weight         520.01
_chemical_name_systematic
;
(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')bis(5-thioxo-1,5-dihydro-1,3,4-
thiadiazole-3-thiolato-\kS)zinc(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 94.459(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.265(5)
_cell_length_b                   8.459(3)
_cell_length_c                   15.140(5)
_cell_measurement_reflns_used    2398
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.1099
_cell_measurement_theta_min      2.5121
_cell_volume                     2076.7(12)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction
'SAINT (Bruker, 1998) and SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5362
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.798
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.234
_refine_diff_density_min         -0.321
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         1926
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0383P)^2^+0.8193P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0654
_refine_ls_wR_factor_ref         0.0721
_reflns_number_gt                1519
_reflns_number_total             1926
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2375.cif
_cod_data_source_block           I
_cod_original_cell_volume        2076.8(11)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2214952
_cod_database_fobs_code          2214952