Bis[4-chloro-2-(quinolin-8-yliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cobalt(III) trichloridomethanolcobaltate(II)
Luo, Xu-Jian; Zhang, Chuan-Hui; Zhou, Jie; Liu, Yan-Cheng; Acta Crystallographica Section E 69 (2013) m278–m279; doi:10.1107/S1600536813010118

data_2238104
_publ_section_title
;
 Bis[4-chloro-2-(quinolin-8-yliminomethyl)phenolato-\k^3^<i>N</i>,<i>N</i>',<i>O</i>]cobalt(III)
 trichloridomethanolcobaltate(II)
;
_journal_coeditor_code           ZL2537
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m278
_journal_page_last               m279
_journal_paper_doi               10.1107/S1600536813010118
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Co (C16 H10 Cl N2 O)2] [Co Cl3 (C H4 O)]'
_chemical_formula_moiety         'C32 H20 Cl2 Co N4 O2 +, C H4 Cl3 Co O -'
_chemical_formula_sum            'C33 H24 Cl5 Co2 N4 O3'
_chemical_formula_weight         819.67
_chemical_name_systematic
'Bis[4-chloro-2-(quinolin-8-yliminomethyl)phenolato-\k^3^<i>N</i>,<i>N</i>',<i>O</i>]cobalt(III) trichloridomethanolcobaltate(II)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_cell_angle_alpha                65.156(4)
_cell_angle_beta                 83.108(4)
_cell_angle_gamma                68.444(4)
_cell_formula_units_Z            2
_cell_length_a                   12.0547(6)
_cell_length_b                   12.1822(4)
_cell_length_c                   13.2435(7)
_cell_measurement_reflns_used    6497
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.6931
_cell_measurement_theta_min      3.0705
_cell_volume                     1640.06(15)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2011)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2011)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2011)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>, 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1623
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Agilent SuperNova diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14351
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    1.461
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2011)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             826
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.377
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         6694
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+0.6970P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                5581
_reflns_number_total             6694
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            zl2537.cif
_cod_data_source_block           I
_cod_original_cell_volume        1640.06(13)
_cod_database_code               2238104
_cod_database_fobs_code          2238104