Tetranuclear Mixed-Metal MII2CuII2 Complexes Derived from a Phenol-Based Macrocyclic Ligand Having Two N(amine)2O2 and Two N(imine)2O2 Metal-Binding Sites
Yuki Nakamura; Masami Yonemura; Keisuke Arimura; Naoki Usuki; Masaaki Ohba; Hisashi Ōkawa; Inorganic Chemistry 40 (2001) 3739–3744; doi:10.1021/ic001162z

data_4319972
_publ_contact_author_address
;
    Dept. of. Chem., Fac. of Sci., Kyushu University, Hakozaki 6-10-1,
Higashi-ku, Fukuoka 812-8581, Japan
;
_publ_contact_author_email       ' okawascc@mbox.nc.kyushu-u.ac.jp '
_publ_contact_author_fax         ' 81-92-642-2607 '
_publ_contact_author_name        ' Hisashi Okawa'
_publ_contact_author_phone       ' 81-92-642-2596 '
_publ_section_title
;
 Tetranuclear Mixed-Metal MII2CuII2 Complexes Derived from a Phenol-Based
 Macrocyclic Ligand Having Two N(amine)2O2 and Two N(imine)2O2
 Metal-Binding Sites
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3739
_journal_page_last               3744
_journal_paper_doi               10.1021/ic001162z
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C23 H26 Br2 Cl5 Cu N4 O2.5 Zn'
_chemical_formula_weight         864.48
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 126.03(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   32.53(1)
_cell_length_b                   12.242(2)
_cell_length_c                   19.729(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      11.1
_cell_volume                     6354(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    DirectMethod
_diffrn_measured_fraction_theta_full 0.8074
_diffrn_measured_fraction_theta_max 0.8074
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6079
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.23
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.397
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.700
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.764
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     365
_refine_ls_number_reflns         2531
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.8060
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0734
_reflns_number_gt                2531
_reflns_number_total             5895
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic001162z_3.cif
_cod_data_source_block           '[CuZn(en)Cl2](5')'
_cod_original_formula_sum        'C23 H26 Br2 Cl5 Cu N4 O2.50 Zn '
_cod_database_code               4319972