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_4322154
_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            'C15 H30 Cl Cu N7 O8'
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_audit_creation_date             'Wed Dec 24 15:51:19 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16.00
_cell_length_a                   17.318(3)
_cell_length_b                   17.3177
_cell_length_c                   30.432(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      26.06
_cell_measurement_theta_min      20.05
_cell_volume                     9127(2)
_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      -0.02751
_diffrn_orient_matrix_UB_12      -0.04574
_diffrn_orient_matrix_UB_13      -0.01254
_diffrn_orient_matrix_UB_21      -0.04931
_diffrn_orient_matrix_UB_22      0.03003
_diffrn_orient_matrix_UB_23      -0.00045
_diffrn_orient_matrix_UB_31      0.01208
_diffrn_orient_matrix_UB_32      0.01844
_diffrn_orient_matrix_UB_33      -0.03037
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  6.02
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4409
_diffrn_reflns_theta_max         24.9934
_diffrn_standards_decay_%        -1.11
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 11.255
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.970
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            green
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_exptl_crystal_description       prismatic
_exptl_crystal_F_000             4464.00
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_refine_diff_density_max         -0.51200
_refine_diff_density_min         0.52370
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.770
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         1876
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0830
_refine_ls_shift/esd_max         1.1440
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0560
_cod_data_source_file            ic9813260_5.cif
_cod_data_source_block           Cu_(2_3)Me'
_cod_original_cell_volume        9126(1)
_cod_original_sg_symbol_H-M      'I 41/a '
_cod_original_formula_sum        'C15 H30 N7 O8 Cl Cu'
_cod_database_code               4322154