{6,6'-Dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}cobalt(II) dichloromethane disolvate
Nabei, Atsuhiro; Kuroda-Sowa, Takayoshi; Okubo, Takashi; Maekawa, Masahiko; Munakata, Megumu; Acta Crystallographica Section E 65 (2009) m188–m189; doi:10.1107/S160053680900083X

data_2220909
_publ_section_title
;{6,6'-Dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}cobalt(II)
 dichloromethane disolvate
;
_journal_coeditor_code           SI2147
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m188
_journal_page_last               m189
_journal_paper_doi               10.1107/S160053680900083X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Co (C22 H18 N2 O4)], 2C H2 Cl2'
_chemical_formula_moiety         'C22 H18 Co N2 O4, 2(C H2 Cl2)'
_chemical_formula_sum            'C24 H22 Cl4 Co N2 O4'
_chemical_formula_weight         603.19
_chemical_name_systematic
;
{6,6'-Dimethoxy-2,2'-[<i>o</i>-
phenylenebis(nitrilomethylidyne)]diphenolato}cobalt(II)
dichloromethane disolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.676(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.309(6)
_cell_length_b                   14.088(6)
_cell_length_c                   14.101(6)
_cell_measurement_reflns_used    6959
_cell_measurement_temperature    150.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2489.5(19)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2007)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2007)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2007)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'CrystalStructure (Rigaku/MSC, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            28457
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.153
_exptl_absorpt_correction_T_max  0.891
_exptl_absorpt_correction_T_min  0.764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>REQAB</i>; Jacobson, 1998)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1228.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     317
_refine_ls_number_reflns         5677
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0308P)^2^+1.9552P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                5100
_reflns_number_total             5677
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            si2147.cif
_cod_data_source_block           I
_cod_original_cell_volume        2489.4(19)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C24 H22 Cl4 Co N2 O4 '
_cod_database_code               2220909
_cod_database_fobs_code          2220909