Bis{2-[(<i>E</i>)-benzyliminomethyl]-4-methylphenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II)
Dang, Fang-Fang; Wang, Xin-Wei; Zhou, Yuan-Zhen; Han, Guo-Ping; Yang, Qing-Cui; Acta Crystallographica Section E 64 (2008) m1486–; doi:10.1107/S1600536808034144

data_2220173
_publ_section_title
Bis{2-[(<i>E</i>)-benzyliminomethyl]-4-methylphenolato-\k^2^<i>N</i>,<i>O</i>}cobalt(II)
_journal_coeditor_code           GW2053
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1486
_journal_paper_doi               10.1107/S1600536808034144
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Co (C15 H14 N O)2]'
_chemical_formula_moiety         'C30 H28 Co N2 O2'
_chemical_formula_sum            'C30 H28 Co N2 O2'
_chemical_formula_weight         507.47
_chemical_name_systematic
;
Bis{2-[(<i>E</i>)-benzyliminomethyl]-4-methylphenolato-\k^2^N,O}cobalt(II)
;
_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                 107.394(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.735(3)
_cell_length_b                   10.625(2)
_cell_length_c                   8.7926(17)
_cell_measurement_reflns_used    2457
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      0.995
_cell_volume                     1224.5(4)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'XP in SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_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  0.0222
_diffrn_reflns_av_sigmaI/netI    0.0193
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10315
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         0.995
_diffrn_standards_decay_%        no
_exptl_absorpt_coefficient_mu    0.731
_exptl_absorpt_correction_T_max  0.825
_exptl_absorpt_correction_T_min  0.765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             530.0
_exptl_crystal_size_max          0.371
_exptl_crystal_size_mid          0.296
_exptl_crystal_size_min          0.249
_refine_diff_density_max         0.216
_refine_diff_density_min         -0.245
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     161
_refine_ls_number_reflns         2807
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0267
_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^)+(0.0449P)^2^+0.166P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0797
_reflns_number_gt                2404
_reflns_number_total             2807
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gw2053.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2220173
_cod_database_fobs_code          2220173