<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-4,4'-bis(pyrazol-1-ylmethyl)biphenyl-κ^2^<i>N</i>^2^:<i>N</i>^2'^]
Gao, Jin-Sheng; Wang, Xue; Ding, Zhi-Yong; Hou, Guang-Feng; Acta Crystallographica Section E 66 (2010) m718–; doi:10.1107/S160053681001977X

data_2226280
_publ_section_title
;
 <i>catena</i>-Poly[[bis(nitrato-\k^2^<i>O</i>,<i>O</i>')cobalt(II)]-\m-4,4'-bis(pyrazol-1-ylmethyl)biphenyl-\k^2^<i>N</i>^2^:<i>N</i>^2'^]
;
_journal_coeditor_code           SI2260
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m718
_journal_paper_doi               10.1107/S160053681001977X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co (N O3)2 (C20 H18 N4)]'
_chemical_formula_moiety         'C20 H18 Co N6 O6'
_chemical_formula_sum            'C20 H18 Co N6 O6'
_chemical_formula_weight         497.33
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(nitrato-\k^2^<i>O</i>,<i>O</i>')cobalt(II)]-
\m-4,4'-bis(pyrazol-1-ylmethyl)biphenyl-\k^2^<i>N</i>^2^:<i>N</i>^2'^]
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.211(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.133(6)
_cell_length_b                   13.631(8)
_cell_length_c                   10.806(5)
_cell_measurement_reflns_used    7566
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.99
_cell_volume                     2069.5(18)
_computing_cell_refinement       'RAPID-AUTO (Rigaku 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       '\w scan'
_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  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9940
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.882
_exptl_absorpt_correction_T_max  0.8337
_exptl_absorpt_correction_T_min  0.8135
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.394
_refine_diff_density_min         -0.305
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     150
_refine_ls_number_reflns         2346
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0450P)^2^+0.9590P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0913
_reflns_number_gt                1931
_reflns_number_total             2346
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            si2260.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2226280
_cod_database_fobs_code          2226280