<i>catena</i>-Poly[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cobalt(II)]-μ-biphenyl-2,2'-dicarboxylato]
Wei, Fang; Wen-Ju Wang; Xiang-Jun Jin; Ze-Min Mei; Xiao-Ping Li; Acta Crystallographica Section E 64 (2008) m379–m379; doi:10.1107/S1600536808001827

data_2217402
_publ_section_title
<i>catena</i>-Poly[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cobalt(II)]-\m-biphenyl-2,2'-dicarboxylato]
_journal_coeditor_code           AT2538
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m379
_journal_page_last               m379
_journal_paper_doi               10.1107/S1600536808001827
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Co (C14 H8 O4) (C18 H10 N4)]'
_chemical_formula_moiety         'C32 H18 Co N4 O4'
_chemical_formula_sum            'C32 H18 Co N4 O4'
_chemical_formula_weight         581.43
_chemical_name_systematic
;
catena-Poly[[(dipyrido[3,2-a:2',3'-c]phenazine)cobalt(II)]-\m-biphenyl-2,2'-
dicarboxylato]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 102.31
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.311(4)
_cell_length_b                   12.521(5)
_cell_length_c                   21.831(10)
_cell_measurement_reflns_used    2096
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.03
_cell_measurement_theta_min      2.3
_cell_volume                     2486.6(19)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL-Plus (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      292(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'not measured'
_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  0.0851
_diffrn_reflns_av_sigmaI/netI    0.1771
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            13141
_diffrn_reflns_theta_full        26.23
_diffrn_reflns_theta_max         26.23
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.740
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            amethyst
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1188.0
_exptl_crystal_size_max          0.435
_exptl_crystal_size_mid          0.112
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.923
_refine_diff_density_min         -0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.871
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5022
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.871
_refine_ls_R_factor_all          0.1515
_refine_ls_R_factor_gt           0.0482
_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^)+(0.002P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0853
_reflns_number_gt                1796
_reflns_number_total             5022
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2538.cif
_cod_data_source_block           I
_cod_original_cell_volume        2486.5(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2217402
_cod_database_fobs_code          2217402