Poly[[diaqua(μ-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')(μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^)cobalt(II)] 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide monosolvate]
Ge, Xin; Song, Shu-Yan; Acta Crystallographica Section E 68 (2012) m1307–; doi:10.1107/S1600536812040056

data_2236353
_publ_section_title
;
 Poly[[diaqua(\m-4,4'-bipyridine
 <i>N</i>,<i>N</i>'-dioxide-\k^2^<i>O</i>:<i>O</i>')(\m-terephthalato-\k^2^<i>O</i>^1^:<i>O</i>^4^)cobalt(II)]
 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide monosolvate]
;
_journal_coeditor_code           HY2589
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1307
_journal_paper_doi               10.1107/S1600536812040056
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Co (C8 H4 O4) (C10 H8 N2 O2) (H2 O)2] , C10 H8 N2 O2'
_chemical_formula_moiety         'C18 H16 Co N2 O8, C10 H8 N2 O2'
_chemical_formula_sum            'C28 H24 Co N4 O10'
_chemical_formula_weight         635.44
_chemical_name_systematic
;
Poly[[diaqua(\m-4,4'-bipyridine
<i>N</i>,<i>N</i>'-dioxide-\k^2^<i>O</i>:<i>O</i>')(\m-terephthalato-
\k^2^<i>O</i>^1^:<i>O</i>^4^)cobalt(II)] 4,4'-bipyridine
<i>N</i>,<i>N</i>'-dioxide monosolvate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                81.312(2)
_cell_angle_beta                 82.200(2)
_cell_angle_gamma                79.301(2)
_cell_formula_units_Z            1
_cell_length_a                   7.3883(10)
_cell_length_b                   9.1788(13)
_cell_length_c                   9.8054(13)
_cell_measurement_reflns_used    2899
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.09
_cell_measurement_theta_min      2.28
_cell_volume                     641.92(15)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0171
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            3574
_diffrn_reflns_theta_full        26.11
_diffrn_reflns_theta_max         26.11
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    0.740
_exptl_absorpt_correction_T_max  0.8661
_exptl_absorpt_correction_T_min  0.8252
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             327
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.479
_refine_diff_density_min         -0.328
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         2516
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0308
_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^)+(0.0389P)^2^+0.3924P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0809
_reflns_number_gt                2340
_reflns_number_total             2516
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2589.cif
_cod_data_source_block           I
_cod_database_code               2236353
_cod_database_fobs_code          2236353