{2,2'-Bis[(3-aminopropyl)iminomethyl]oxalanilide}cobalt(III) perchlorate
Ya-Qiu Sun; Wen Dong; Guang-Ming Yang; Dai-Zheng Liao; Acta Crystallographica Section E 60 (2004) m730–m731; doi:10.1107/S1600536804009894

data_2203785
_publ_section_title
;
 {2,2'-Bis[(3-aminopropyl)iminomethyl]oxalanilide}cobalt(III)
 perchlorate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m730
_journal_page_last               m731
_journal_paper_doi               10.1107/S1600536804009894
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Co (C22 H26 N6 O2)] Cl O4'
_chemical_formula_moiety         'C22 H26 Co N6 O2 1+, Cl O4 1-'
_chemical_formula_sum            'C22 H26 Cl Co N6 O6'
_chemical_formula_weight         564.87
_chemical_name_systematic
;
{2,2'-Bis[(3-aminopropyl)iminomethyl]oxalanilide}cobalt(III) perchlorate
;
_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                 108.076(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.728(3)
_cell_length_b                   17.232(5)
_cell_length_c                   14.953(5)
_cell_measurement_reflns_used    897
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.25
_cell_measurement_theta_min      2.20
_cell_volume                     2382.9(13)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1999)'
_computing_publication_material  'SHELXTL and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0638
_diffrn_reflns_av_sigmaI/netI    0.1004
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            11184
_diffrn_reflns_theta_full        26.43
_diffrn_reflns_theta_max         26.43
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    0.885
_exptl_absorpt_correction_T_max  0.838
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.438
_refine_diff_density_min         -0.369
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4873
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.1142
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0383P)^2^+1.7668P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1005
_refine_ls_wR_factor_ref         0.1181
_reflns_number_gt                2884
_reflns_number_total             4873
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            na6309.cif
_cod_data_source_block           I
_cod_original_cell_volume        2382.8(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2203785
_cod_database_fobs_code          2203785