Poly[[<i>trans</i>-diaquabis(μ~2~-biphenyl-2,2'-dicarboxylato)bis(μ~2~-4,4'-bipyridine)dicobalt(II)] biphenyl-2,2'-dicarboxylic acid disolvate]
Zhan, Ge; Li, Xin-Hua; Acta Crystallographica Section C 66 (2010) m29–m31; doi:10.1107/S0108270109044205

data_2017507
_publ_section_title
;Poly[[<i>trans</i>-diaquabis(\m~2~-biphenyl-2,2'-dicarboxylato)bis(\m~2~-4,4'-bipyridine)dicobalt(II)]
 biphenyl-2,2'-dicarboxylic acid disolvate]
;
_journal_coeditor_code           FN3036
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m29
_journal_page_last               m31
_journal_paper_doi               10.1107/S0108270109044205
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Co2 (C14 H8 O4)2 (C10 H8 N2)2 (H2 O)2] , 2C14 H10 O4'
_chemical_formula_moiety         'C48 H36 Co2 N4 O10, 2C14 H10 O4'
_chemical_formula_sum            'C76 H56 Co2 N4 O18'
_chemical_formula_weight         1431.11
_chemical_name_systematic
;Poly[[<i>trans</i>-diaquabis(\m~2~-biphenyl-2,2'-dicarboxylato)bis(\m~2~-4,4'-
bipyridine)dicobalt(II)]
 biphenyl-2,2'-dicarboxylic acid disolvate]
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1264(10)
_cell_length_b                   28.487(3)
_cell_length_c                   11.3835(11)
_cell_measurement_reflns_used    5858
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.1
_cell_measurement_theta_min      1.79
_cell_volume                     3283.8(6)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'XP in SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0534
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17371
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.79
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.584
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1476
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.419
_refine_ls_abs_structure_details 'Flack (1983), with 1476 Friedel pairs'
_refine_ls_abs_structure_Flack   0.013(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         5840
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0488P)^2^+0.3862P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0971
_refine_ls_wR_factor_ref         0.1003
_reflns_number_gt                5236
_reflns_number_total             5840
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fn3036.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     P22ab
_cod_database_code               2017507