Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups
Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima; Journal of the American Chemical Society 124 (2002) 629–640; doi:10.1021/ja0123960

data_4114582
_publ_contact_author_address
;
Department of Chemistry, Faculty of Science, Kumamoto University, 
Kurokami 2-39-1, Kumamoto 860-8555, Japan
;
_publ_contact_author_email       ' naohide@aster.sci.kumamoto-u.ac.jp'
_publ_contact_author_fax         ' +81-96-342-3390'
_publ_contact_author_name        'Naohide Matsumoto'
_publ_contact_author_phone       ' +81-96-342-3390'
_publ_section_title
;
 Spontaneous Resolution Induced by Self-Organization of Chiral
 Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands
 Containing Three Imidazole Groups
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              629
_journal_page_last               640
_journal_paper_doi               10.1021/ja0123960
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C18 H26 Co N10 O2.5'
_chemical_formula_weight         481.40
_space_group_IT_number           220
_symmetry_cell_setting           cubic
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_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
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_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
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_cell_length_c                   20.4455
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      14.8
_cell_measurement_theta_min      11.7
_cell_volume                     8546.6(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'teXsan for Windows (MSC, 1997)'
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_computing_structure_solution    'SIR92 (Altomare, et. al. 1993)'
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       \w-2\q
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_diffrn_reflns_av_R_equivalents  0.00000
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_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
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_diffrn_reflns_reduction_process 'Lp corrections applied'
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_exptl_crystal_description       prismatic
_exptl_crystal_F_000             4016.00
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_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.93
_refine_diff_density_min         -0.58
_refine_ls_extinction_coef       0.000000050(2)
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24,p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   2.615
_refine_ls_goodness_of_fit_ref   2.620
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     98
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0650
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00000|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0370
_reflns_number_gt                1425
_reflns_number_total             2769
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            ja0123960_4.cif
_cod_data_source_block           '_Co(L1)2.5H2O_____________'
_cod_original_cell_volume        8546.6(2)
_cod_original_sg_symbol_H-M      'I -4 3 d '
_cod_original_formula_sum        'C18 H26 Co N10 O2.50 '
_cod_database_code               4114582