Chloridobis[<i>N</i>'-(2-methoxybenzylidene)-4-nitrobenzohydrazidato-κ^2^<i>O</i>,<i>N</i>'](4-methylpyridine-κ<i>N</i>)cobalt(III)
Wu, Qiong-Jie; Chen, Xiao-Hua; Jiang, Jiang; Cai, Bi-Qiong; Xie, Yong-Ping; Acta Crystallographica Section E 67 (2011) m293–; doi:10.1107/S1600536811003321

data_2229405
_publ_section_title
;
 Chloridobis[<i>N</i>'-(2-methoxybenzylidene)-4-nitrobenzohydrazidato-\k^2^<i>O</i>,<i>N</i>'](4-methylpyridine-\k<i>N</i>)cobalt(III)
;
_journal_coeditor_code           HY2400
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m293
_journal_paper_doi               10.1107/S1600536811003321
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co (C15 H12 N3 O4)2 Cl (C6 H7 N)]'
_chemical_formula_moiety         'C36 H31 Cl Co N7 O8 '
_chemical_formula_sum            'C36 H31 Cl Co N7 O8'
_chemical_formula_weight         784.06
_chemical_name_systematic
;
Chloridobis[<i>N</i>'-(2-methoxybenzylidene)-4-nitrobenzohydrazidato-
\k^2^<i>O</i>,<i>N</i>'](4-methylpyridine-\k<i>N</i>)cobalt(III)
;
_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           SHELXL-97
_cell_angle_alpha                62.203(3)
_cell_angle_beta                 85.669(3)
_cell_angle_gamma                72.275(3)
_cell_formula_units_Z            2
_cell_length_a                   10.530(2)
_cell_length_b                   14.028(3)
_cell_length_c                   14.794(3)
_cell_measurement_reflns_used    3144
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.04
_cell_volume                     1835.6(6)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_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 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotation anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_sigmaI/netI    0.1160
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12688
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.601
_exptl_absorpt_correction_T_max  0.9535
_exptl_absorpt_correction_T_min  0.9313
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.732
_refine_diff_density_min         -0.285
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.936
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         6308
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.936
_refine_ls_R_factor_all          0.1450
_refine_ls_R_factor_gt           0.0627
_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^)+(0.0697P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1259
_refine_ls_wR_factor_ref         0.1574
_reflns_number_gt                3144
_reflns_number_total             6308
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2400.cif
_cod_data_source_block           I
_cod_original_cell_volume        1835.6(7)
_cod_database_code               2229405
_cod_database_fobs_code          2229405