Poly[bis(4,4'-bipyridine)(μ~3~-4,4'-dicarboxybiphenyl-3,3'-dicarboxylato)cobalt(II)]
Xiang-Rong Hao; Zhong-Min Su; Ya-Hui Zhao; Kui-Zhan Shao; Yong Wang; Acta Crystallographica Section E 61 (2005) m2477–m2479; doi:10.1107/S1600536805033842

data_2207623
_publ_section_title
Poly[bis(4,4'-bipyridine)(\m~3~-4,4'-dicarboxybiphenyl-3,3'-dicarboxylato)cobalt(II)]
_journal_coeditor_code           RN6063
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2477
_journal_page_last               m2479
_journal_paper_doi               10.1107/S1600536805033842
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Co (C16 H8 O8) (C10 H8 N2)2]'
_chemical_formula_moiety         'C36 H24 Co N4 O8'
_chemical_formula_sum            'C36 H24 Co N4 O8'
_chemical_formula_weight         699.52
_chemical_name_systematic
;
poly[bis(4,4'-bipyridine)(\m~3~-4,4'-dicarboxy-biphenyl-3,3'-
dicarboxylato)cobalt(II)]
;
_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                 105.925(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9781(10)
_cell_length_b                   24.094(2)
_cell_length_c                   10.7056(9)
_cell_measurement_reflns_used    18156
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      1.70
_cell_volume                     2971.1(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_sigmaI/netI    0.0876
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            18276
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  10
_diffrn_standards_number         156
_exptl_absorpt_coefficient_mu    0.636
_exptl_absorpt_correction_T_max  0.896
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1436
_exptl_crystal_size_max          0.237
_exptl_crystal_size_mid          0.228
_exptl_crystal_size_min          0.112
_refine_diff_density_max         0.678
_refine_diff_density_min         -0.459
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         6985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.969
_refine_ls_R_factor_all          0.0851
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0415P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0940
_refine_ls_wR_factor_ref         0.1005
_reflns_number_gt                3983
_reflns_number_total             6985
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rn6063.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2207623
_cod_database_fobs_code          2207623