Crystal structure of bis(bis{2-[(2-isopropylaminoethylimino)methyl]-5-methoxyphenolato}cobalt(III)) tetrachlorocobaltate(II), [Co(C13H19N2O2)2]2[CoCl4]
Ning Wang; Xiao-Yan Li; Zeitschrift für Kristallographie - New Crystal Structures 225 (2010) 803–; doi:

data_8102868
_publ_section_title
;
 Crystal structure of
 bis(bis{2-[(2-isopropylaminoethylimino)methyl]-5-methoxyphenolato}cobalt(III))
 tetrachlorocobaltate(II), [Co(C13H19N2O2)2]2[CoCl4]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              803
_journal_volume                  225
_journal_year                    2010
_chemical_formula_moiety         '2(C26 H38 Co N4 O4), Cl4 Co'
_chemical_formula_sum            'C52 H76 Cl4 Co3 N8 O8'
_chemical_formula_weight         1259.80
_chemical_name_systematic
; 
bis(bis{2-[(2-isopropylaminoethylimino)methyl]-
5-methoxyphenolato}cobalt(III))tetrachlorocobalt(II), 
2[Co(C~13~H~19~N~2~O~2~)~2~].[CoCl~4~]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 128.616(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.206(3)
_cell_length_b                   16.655(2)
_cell_length_c                   17.081(3)
_cell_measurement_reflns_used    3124
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.4
_cell_volume                     5825.1(14)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 [12]'
_computing_structure_solution    'SHELXS-97 [11]'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area detector'
_diffrn_measurement_method       '\w scans'
_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  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0536
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14068
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.39
_exptl_absorpt_coefficient_mu    1.085
_exptl_absorpt_correction_T_max  0.7582
_exptl_absorpt_correction_T_min  0.7366
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2628
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.727
_refine_diff_density_min         -0.396
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         6296
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0498
_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^)+(0.0581P)^2^+6.7476P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1161
_refine_ls_wR_factor_ref         0.1432
_reflns_number_gt                3690
_reflns_number_total             6296
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-3221.cff
_cod_data_source_block           a
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               8102868