<i>catena</i>-Poly[[[diaquacobalt(II)]-μ-(<i>E</i>)-1,2-bis(4-pyridyl)ethylene-κ^2^<i>N</i>:<i>N</i>'] bis(4-aminobenzenesulfonate) hexahydrate]
Zhong-Xiang Du; Jun-Xia Li; Acta Crystallographica Section E 63 (2007) m3080–m3081; doi:10.1107/S1600536807058461

data_2216211
_publ_section_title
;<i>catena</i>-Poly[[[diaquacobalt(II)]-\m-(<i>E</i>)-1,2-bis(4-pyridyl)ethylene-\k^2^<i>N</i>:<i>N</i>']
 bis(4-aminobenzenesulfonate) hexahydrate]
;
_journal_coeditor_code           AT2470
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3080
_journal_page_last               m3081
_journal_paper_doi               10.1107/S1600536807058461
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Co (C12 H10 N2) (H2 O)2] (C6 H6 N O3 S)2, 6H2 O'
_chemical_formula_moiety
'C12 H14 Co N2 O2 2+, 2(C6 H6 N O3 S -), 6(H2 O)'
_chemical_formula_sum            'C24 H38 Co N4 O14 S2'
_chemical_formula_weight         729.63
_chemical_name_systematic
;
<i>catena</i>-Poly[[[diaquacobalt(II)]-\m-(<i>E</i>)-1,2-bis(4-
pyridyl)ethylene-\k^2^<i>N</i>:<i>N</i>'] bis(4-aminobenzenesulfonate)
hexahydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 104.1330(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.4351(15)
_cell_length_b                   7.9688(9)
_cell_length_c                   15.7183(18)
_cell_measurement_reflns_used    2927
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      24.15
_cell_measurement_theta_min      2.67
_cell_volume                     1631.9(3)
_computing_cell_refinement       'APEX2 (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2004)'
_computing_publication_material  'SHELXTL (Bruker, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX II CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12048
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    0.724
_exptl_absorpt_correction_T_max  0.9410
_exptl_absorpt_correction_T_min  0.8143
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             762
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.825
_refine_diff_density_min         -0.494
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     205
_refine_ls_number_reflns         3035
_refine_ls_number_restraints     144
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0507
_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^)+(0.0893P)^2^+1.4053P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1409
_refine_ls_wR_factor_ref         0.1550
_reflns_number_gt                2395
_reflns_number_total             3035
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2470.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P 2ybc  '
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2216211
_cod_database_fobs_code          2216211