A one-dimensional cobalt(II) coordination polymer based on 2,4'-oxydibenzoic acid: poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
Tang, Long; Fu, Feng; Wang, Ji-Jiang; Liu, Qi-Rui; Zhao, Hang-Hang; Acta Crystallographica Section C 70 (2014) 654–658; doi:10.1107/S2053229614012066

data_2019578
_publ_section_title
;
 A one-dimensional cobalt(II) coordination polymer based on
 2,4'-oxydibenzoic acid:
 poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-\k<i>O</i>^1^]cobalt(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
 dihydrate]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              654
_journal_page_last               658
_journal_paper_doi               10.1107/S2053229614012066
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Co (C14 H9 O5)2 (C10 H8 N2) (H2 O1)2], 2H2 O1'
_chemical_formula_sum            'C38 H34 Co N2 O14'
_chemical_formula_weight         801.60
_chemical_name_systematic
'Poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-\k<i>O</i>^1^]cobalt(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>'] dihydrate]'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/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                 107.2830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.3557(10)
_cell_length_b                   11.3518(9)
_cell_length_c                   13.6847(11)
_cell_measurement_temperature    296(2)
_cell_volume                     1832.7(3)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART'
_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  0.0185
_diffrn_reflns_av_sigmaI/netI    0.0214
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8755
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    0.542
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6572
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             830
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.313
_refine_diff_density_min         -0.270
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         3230
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0307
_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^)+(0.0404P)^2^+0.9833P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0852
_reflns_number_gt                2915
_reflns_number_total             3230
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fn3172sup1.cf
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2019578.cif.'
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               2019578
_cod_database_fobs_code          2019578