<i>trans</i>-Bis{2-[3-(cyclohexylamino)propyliminomethyl]phenolato-κ^3^<i>O,N,N</i>'}cobalt(III) perchlorate
You, Zhong-Lu; Qu, Yang; Liu, Wei-Sheng; Tan, Min-Yu; Zhu, Hai-Liang; Acta Crystallographica Section E 59 (2003) m1038–m1040; doi:10.1107/S1600536803023092

data_2202442
_publ_section_title
;<i>trans</i>-Bis{2-[3-(cyclohexylamino)propyliminomethyl]phenolato-\k^3^<i>O,N,N</i>'}cobalt(III)
 perchlorate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1038
_journal_page_last               m1040
_journal_paper_doi               10.1107/S1600536803023092
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Co (C16 H23 N2 O)2] Cl O4'
_chemical_formula_moiety         'C32 H46 Co N4 O2 1+, Cl O4 1-'
_chemical_formula_sum            'C32 H46 Cl Co N4 O6'
_chemical_formula_weight         677.11
_chemical_name_systematic
;
 Trans-bis{2-[(3-cyclohexylaminopropylimino)methyl]}cobalt(III) chlorate
;
_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                96.143(10)
_cell_angle_beta                 94.232(9)
_cell_angle_gamma                103.217(9)
_cell_formula_units_Z            1
_cell_length_a                   8.547(5)
_cell_length_b                   9.431(6)
_cell_length_c                   10.222(6)
_cell_measurement_reflns_used    822
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.113
_cell_measurement_theta_min      2.461
_cell_volume                     793.4(8)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0445
_diffrn_reflns_av_sigmaI/netI    0.1080
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4017
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.24
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.675
_exptl_absorpt_correction_T_max  0.9173
_exptl_absorpt_correction_T_min  0.8656
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             358
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.340
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.897
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2732
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.911
_refine_ls_R_factor_all          0.1012
_refine_ls_R_factor_gt           0.0658
_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^)+(0.0674P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1355
_refine_ls_wR_factor_ref         0.1492
_reflns_number_gt                1653
_reflns_number_total             2732
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf6284.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2202442
_cod_database_fobs_code          2202442