Zigzag-Chain and Cyclic-Tetrameric Compounds Derived by Deprotonation of Mononuclear Copper(II) Complexes with N,N'-Bis(2-substituted-imidazol-4-ylmethyl- idene)-1,4-diaminobutane (2-Substituent = H, Me): Synthesis, Characterization, Structure, Substituent Effect, and Interconvertibility
Masaaki Mimura; Toshihiro Matsuo; Toshio Nakashima; Naohide Matsumoto; Inorganic Chemistry 37 (1998) 3553–3560; doi:10.1021/ic971609c

data_4322889
_publ_contact_author
;
   Naohide Matsumoto
Department of Chemistry, Faculty of Science, Kumamoto University,
 Kurokami 2-39-1, Kumamoto 860, Japan
;
_publ_contact_author_email       'naohide@aster.sci.kumamoto-u.ac.jp '
_publ_contact_author_fax         ' +81-96-342-2751 '
_publ_contact_author_phone       '+81-96-342-2754 '
_publ_section_title
;
 Zigzag-Chain and Cyclic-Tetrameric Compounds Derived by Deprotonation of
 Mononuclear Copper(II) Complexes with
 N,N'-Bis(2-substituted-imidazol-4-ylmethyl- idene)-1,4-diaminobutane
 (2-Substituent = H, Me): Synthesis, Characterization, Structure,
 Substituent Effect, and Interconvertibility
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3553
_journal_page_last               3560
_journal_paper_doi               10.1021/ic971609c
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C58 H86 Cl2 Cu4 N26 O9'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Fri Dec 12 13:07:37 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                103.04(1)
_cell_angle_beta                 99.77(1)
_cell_angle_gamma                98.532(9)
_cell_formula_units_Z            2.00
_cell_length_a                   17.776(2)
_cell_length_b                   18.809(2)
_cell_length_c                   11.687(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      38.79
_cell_measurement_theta_min      34.95
_cell_volume                     3680.0(11)
_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      0.02442
_diffrn_orient_matrix_UB_12      0.04775
_diffrn_orient_matrix_UB_13      -0.01432
_diffrn_orient_matrix_UB_21      0.04830
_diffrn_orient_matrix_UB_22      -0.02008
_diffrn_orient_matrix_UB_23      -0.00900
_diffrn_orient_matrix_UB_31      -0.02138
_diffrn_orient_matrix_UB_32      -0.02029
_diffrn_orient_matrix_UB_33      -0.08825
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  3.68
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            13427
_diffrn_reflns_theta_max         25.0085
_diffrn_standards_decay_%        -2.47
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 12.826
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.938
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1676.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_min          0.200
_refine_diff_density_max         -0.87420
_refine_diff_density_min         1.18240
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   5.050
_refine_ls_matrix_type           full
_refine_ls_number_parameters     849
_refine_ls_number_reflns         8146
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0700
_refine_ls_shift/esd_max         0.1890
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0700
_cod_data_source_file            ic971609c_3.cif
_cod_data_source_block           2'_Cu(buMe)_NO3
_cod_original_cell_volume        3679(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C58 H86 N26 O9 Cl2 Cu4'
_cod_database_code               4322889