Copper(II) Complexes of N,N'-Bis((2-substituted-imidazol-4-yl)methylene)-3,3'-diaminodi- propylamine (2-Substituent = H, Me): Δ and Λ Enantiomorphs of the Protonated Complex and Helical Structure of the Deprotonated Complex Formed by Hydrogen Bonds
Hitoshi Miyasaka; Shingo Okamura; Toshio Nakashima; Naohide Matsumoto; Inorganic Chemistry 36 (1997) 4329–4335; doi:10.1021/ic970425v

data_4323601
_publ_section_title
;
 Copper(II) Complexes of
 N,N'-Bis((2-substituted-imidazol-4-yl)methylene)-3,3'-diaminodi-
 propylamine (2-Substituent = H, Me): \D and \L Enantiomorphs of the
 Protonated Complex and Helical Structure of the Deprotonated Complex
 Formed by Hydrogen Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4329
_journal_page_last               4335
_journal_paper_doi               10.1021/ic970425v
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C14 H21 Cu N9 O6'
_chemical_formula_weight         474.92
_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             'Sun Apr  6 11:17:06 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 98.12(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   9.610(4)
_cell_length_b                   13.463(5)
_cell_length_c                   15.568(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      29.97
_cell_measurement_theta_min      29.50
_cell_volume                     1994.0(13)
_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    SHELXS86
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  1.59
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_theta_max         25.0012
_diffrn_standards_decay_%        -0.24
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.1486
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.900
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.46460
_refine_diff_density_min         -0.36070
_refine_ls_extinction_coef       0.61032
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   4.750
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         2737
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0490
_refine_ls_shift/esd_max         0.0080
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0330
_reflns_number_observed          2737
_reflns_number_total             3910
_cod_data_source_file            ic970425v_1.cif
_cod_data_source_block           '[Cu{H2L1}](NO3)2(1b)'
_cod_original_cell_volume        1994(1)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        C14H21O6N9Cu
_cod_database_code               4323601