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_4114579
_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            'C21 H34 Co N10 O3.5'
_chemical_formula_weight         541.50
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
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_symmetry_space_group_name_Hall  'F 2 -2d'
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_cell_angle_beta                 90
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_cell_measurement_temperature    293.2
_cell_measurement_theta_max      13.3
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_computing_cell_refinement       'MSC/AFC Diffractometer Control'
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_computing_data_reduction        'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'teXsan for Windows (MSC, 1997)'
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_computing_structure_solution    'DIRDIF92 PATTY (Beurskens, 1992)'
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_diffrn_measurement_device       AFC7R
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_diffrn_reflns_reduction_process 'Lp corrections applied'
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_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
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_refine_diff_density_min         -0.67
_refine_ls_extinction_coef       0.0000000355(9)
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   2.540
_refine_ls_goodness_of_fit_ref   2.540
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
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_refine_ls_R_factor_all          0.0476
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_refine_ls_shift/su_max          10.4400
_refine_ls_shift/su_mean         0.3648
_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         0.0390
_reflns_number_gt                2046
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_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            ja0123960_1.cif
_cod_data_source_block           '_[CoL2]3.5H2O'
_cod_original_cell_volume        10164(2)
_cod_original_sg_symbol_H-M      'F d d 2 '
_cod_original_formula_sum        'C21 H34 Co N10 O3.50 '
_cod_database_code               4114579