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_4322152
_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            'C27 H32 Cl Cu N7 O5'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Wed Dec 24 12:00:14 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 108.138(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   13.067(2)
_cell_length_b                   15.166(3)
_cell_length_c                   15.568(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      29.89
_cell_measurement_theta_min      28.65
_cell_volume                     2931.9(8)
_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)'
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.00027
_diffrn_orient_matrix_UB_12      0.06325
_diffrn_orient_matrix_UB_13      -0.01808
_diffrn_orient_matrix_UB_21      -0.01670
_diffrn_orient_matrix_UB_22      -0.01819
_diffrn_orient_matrix_UB_23      -0.06465
_diffrn_orient_matrix_UB_31      -0.07878
_diffrn_orient_matrix_UB_32      0.00408
_diffrn_orient_matrix_UB_33      -0.00787
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  2.18
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            6270
_diffrn_reflns_theta_max         26.0095
_diffrn_standards_decay_%        -0.32
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 8.851
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.966
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1316.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_min          0.100
_refine_diff_density_max         -0.95190
_refine_diff_density_min         1.19390
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   3.990
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         3387
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0670
_refine_ls_shift/esd_max         0.0520
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0600
_cod_data_source_file            ic9813260_3.cif
_cod_data_source_block           (CuPhimNMe)n
_cod_original_cell_volume        2931.7(7)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C27 H32 N7 O5 Cl Cu'
_cod_database_code               4322152