Poly[bis(μ~2~-4,4'-bipyridine)bis(3-nitrobenzoato)cobalt(II)]
Chiang, Pei-Hsuan; Hsu, Shih-Chen; Lin, Chia-Her; Acta Crystallographica Section E 65 (2009) m1302–m1303; doi:10.1107/S1600536809039786

data_2223925
_publ_section_title
;
 Poly[bis(\m~2~-4,4'-bipyridine)bis(3-nitrobenzoato)cobalt(II)]
;
_journal_coeditor_code           NC2159
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1302
_journal_page_last               m1303
_journal_paper_doi               10.1107/S1600536809039786
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Co (C7 H4 N O4)2 (C10 H8 N2)2]'
_chemical_formula_moiety         'C34 H24 Co N6 O8'
_chemical_formula_sum            'C34 H24 Co N6 O8'
_chemical_formula_weight         703.52
_chemical_name_systematic
;
Poly[bis(\m~2~-4,4'-bipyridine)bis(3-nitrobenzoato)cobalt(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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.661(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.2074(15)
_cell_length_b                   11.4717(8)
_cell_length_c                   15.0543(12)
_cell_measurement_reflns_used    6091
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.118
_cell_measurement_theta_min      2.245
_cell_volume                     3134.0(4)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0213
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13056
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    0.612
_exptl_absorpt_correction_T_max  0.9138
_exptl_absorpt_correction_T_min  0.7919
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             1444
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.291
_refine_diff_density_min         -0.253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     243
_refine_ls_number_reflns         3861
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0451P)^2^+1.8393P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0848
_reflns_number_gt                3389
_reflns_number_total             3861
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            nc2159.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C34 H24 Co N6 O8 '
_cod_database_code               2223925
_cod_database_fobs_code          2223925