Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively
Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto; Inorganic Chemistry 38 (1999) 3513–3522; doi:10.1021/ic9813260

data_4322150
_publ_contact_author
;
Naohide Matsumoto
 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_phone       ' +81-96-342-3390'
_publ_section_title
;
 Deprotonation-Induced Enantioselective Aggregation and
 Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield
 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3513
_journal_page_last               3522
_journal_paper_doi               10.1021/ic9813260
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C17 H26 Cl Cu N7 O4'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             'Tue Oct 21 11:35:11 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8.00
_cell_length_a                   16.245(6)
_cell_length_b                   21.12(1)
_cell_length_c                   12.868(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      24.58
_cell_measurement_theta_min      10.03
_cell_volume                     4415(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_computing_structure_solution    SAPI91
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.04228
_diffrn_orient_matrix_UB_12      -0.01760
_diffrn_orient_matrix_UB_13      0.04855
_diffrn_orient_matrix_UB_21      -0.02574
_diffrn_orient_matrix_UB_22      0.02373
_diffrn_orient_matrix_UB_23      0.05888
_diffrn_orient_matrix_UB_31      -0.03660
_diffrn_orient_matrix_UB_32      -0.03701
_diffrn_orient_matrix_UB_33      0.01467
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_number            4357
_diffrn_reflns_theta_max         25.0084
_diffrn_standards_decay_%        0.78
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 11.483
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.931
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            green
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_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2040.00
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_refine_diff_density_max         -0.32910
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_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         900
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0520
_refine_ls_shift/esd_max         0.4360
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0290
_cod_data_source_file            ic9813260_1.cif
_cod_data_source_block           Cu(3_4)Me'
_cod_original_cell_volume        4414(2)
_cod_original_sg_symbol_H-M      'P b c a '
_cod_original_formula_sum        'C17 H26 N7 O4 Cl Cu'
_cod_database_code               4322150