A Heterodinuclear CoIICuI Complex with Co(salen) in a Macrocyclic Framework. Oxygenation Studies in Comparison with Analogous CuIICuI and CoIIPbII Complexes
Misato Shinoura; Satoru Kita; Masaaki Ohba; Hisashi Ōkawa; Hideki Furutachi; Masatatsu Suzuki; Inorganic Chemistry 39 (2000) 4520–4526; doi:10.1021/ic000305e

data_4321400
_publ_contact_author_address
;
   Dept. of Chemistry, Fac. Of Science, 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
;
 A Heterodinuclear CoIICuI Complex with Co(salen) in a Macrocyclic
 Framework. Oxygenation Studies in Comparison with Analogous CuIICuI and
 CoIIPbII Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4520
_journal_page_last               4526
_journal_paper_doi               10.1021/ic000305e
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C24 H26 Cl Cu2 N4 O6 S'
_chemical_formula_weight         661.10
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Tue Apr 12 10:19:39 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.72(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.957(2)
_cell_length_b                   23.774(2)
_cell_length_c                   7.758(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     1278.8(6)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    MULTAN88
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.08294
_diffrn_orient_matrix_UB_12      -0.03088
_diffrn_orient_matrix_UB_13      0.04043
_diffrn_orient_matrix_UB_21      0.11426
_diffrn_orient_matrix_UB_22      -0.02565
_diffrn_orient_matrix_UB_23      0.01126
_diffrn_orient_matrix_UB_31      0.02945
_diffrn_orient_matrix_UB_32      0.01256
_diffrn_orient_matrix_UB_33      0.12235
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_av_sigmaI/netI    0.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3234
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        -0.46
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.898
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.926
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             674.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.41
_refine_ls_abs_structure_Flack   1.00000
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.860
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     343
_refine_ls_number_reflns         2695
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0000
_refine_ls_R_factor_gt           0.0000
_refine_ls_shift/su_max          0.0160
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00016|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0000
_refine_ls_wR_factor_ref         0.0410
_reflns_number_gt                0
_reflns_number_total             3002
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic000305e_1.cif
_cod_data_source_block           '[Cu(II)Cu(I)L(2_S)]ClO4'
_cod_original_sg_symbol_H-M      'P 21 '
_cod_original_formula_sum        'C24 H26 Cl Cu2 N4 O6 S '
_cod_database_code               4321400