<i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)cobalt(II)]-μ~2~-2,6-bis(pyridin-4-yl)-4,4'-bipyridine-κ^2^<i>N</i>^2^:<i>N</i>^6^]
Ma, De-Yun; Sun, De-En; Li, Guo-Qing; Acta Crystallographica Section E 67 (2011) m913–; doi:10.1107/S1600536811021118

data_2230701
_publ_section_title
;
 <i>catena</i>-Poly[[diaquabis(formato-\k<i>O</i>)cobalt(II)]-\m~2~-2,6-bis(pyridin-4-yl)-4,4'-bipyridine-\k^2^<i>N</i>^2^:<i>N</i>^6^]
;
_journal_coeditor_code           HY2424
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m913
_journal_paper_doi               10.1107/S1600536811021118
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co(C H O2)2 (C20 H14 N4) (H2 O)2]'
_chemical_formula_moiety         'C22 H20 Co N4 O6'
_chemical_formula_sum            'C22 H20 Co N4 O6'
_chemical_formula_weight         495.35
_chemical_name_systematic
;
<i>catena</i>-Poly[[diaquabis(formato-\k<i>O</i>)cobalt(II)]-\m~2~-
2,6-bis(pyridin-4-yl)-4,4'-bipyridine-\k^2^<i>N</i>^2^:<i>N</i>^6^]
;
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.28(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.412(5)
_cell_length_b                   11.073(2)
_cell_length_c                   7.4117(15)
_cell_measurement_reflns_used    2895
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.89
_cell_measurement_theta_min      2.35
_cell_volume                     2003.0(7)
_computing_cell_refinement       'CrystalStructure (Rigaku/MSC, 2002)'
_computing_data_collection       'CrystalStructure (Rigaku/MSC, 2002)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and Mercury (Macrae <i>et al.</i>,
2008)
;
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \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  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0548
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            9417
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    0.908
_exptl_absorpt_correction_T_max  0.126
_exptl_absorpt_correction_T_min  0.075
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalStructure; Rigaku/MSC, 2002)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.762
_refine_diff_density_min         -0.572
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     160
_refine_ls_number_reflns         2303
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0443
_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^)+(0.0400P)^2^+3.0P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0940
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                1544
_reflns_number_total             2303
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2424.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2230701
_cod_database_fobs_code          2230701