Di-μ-sulfito-κ^6^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>''-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)]
E. Yang; Xu-Chun Song; Shuang-Zhen Shen; You-Dan Lin; Acta Crystallographica Section E 63 (2007) m2101–m2101; doi:10.1107/S1600536807032692

data_2214895
_publ_section_title
Di-\m-sulfito-\k^6^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>''-bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')zinc(II)]
_journal_coeditor_code           WN2163
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2101
_journal_page_last               m2101
_journal_paper_doi               10.1107/S1600536807032692
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn2 (S O3)2 (C10 H8 N2)2]'
_chemical_formula_moiety         'C20 H16 N4 O6 S2 Zn2'
_chemical_formula_sum            'C20 H16 N4 O6 S2 Zn2'
_chemical_formula_weight         603.23
_chemical_name_systematic
;
Di-\m-sulfito-\k^6^O,O':O',O''-bis[(2,2'-bipyridine-\k^2^N,N')zinc(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.9700(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.14440(10)
_cell_length_b                   13.2118(2)
_cell_length_c                   10.30200(10)
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      2.61
_cell_volume                     1041.86(2)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Siemens SMART 1K 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  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8021
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.61
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.553
_exptl_absorpt_correction_T_max  .8000
_exptl_absorpt_correction_T_min  .7000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.923
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             608
_exptl_crystal_size_max          .21
_exptl_crystal_size_mid          .13
_exptl_crystal_size_min          .10
_refine_diff_density_max         0.343
_refine_diff_density_min         -0.463
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         1756
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.938
_refine_ls_R_factor_gt           0.0246
_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^)+(0.0226P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0515
_refine_ls_wR_factor_ref         0.0539
_reflns_number_gt                1413
_reflns_number_total             1756
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wn2163.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2214895
_cod_database_fobs_code          2214895