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_4321402
_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            'C30 H40 Cl2 Co N6 O12 Pb S'
_chemical_formula_weight         1045.78
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Tue Apr 12 10:13:30 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90.431(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.265(2)
_cell_length_b                   12.640(2)
_cell_length_c                   18.584(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     3820.6(9)
_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
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.02660
_diffrn_orient_matrix_UB_12      -0.03775
_diffrn_orient_matrix_UB_13      -0.04136
_diffrn_orient_matrix_UB_21      -0.04749
_diffrn_orient_matrix_UB_22      -0.01919
_diffrn_orient_matrix_UB_23      0.03127
_diffrn_orient_matrix_UB_31      -0.02863
_diffrn_orient_matrix_UB_32      0.06683
_diffrn_orient_matrix_UB_33      -0.01439
_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  0.025
_diffrn_reflns_av_sigmaI/netI    0.000
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            9478
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        0.12
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.104
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.282
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.818
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2068.00
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.96
_refine_diff_density_min         -0.92
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   2.540
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     515
_refine_ls_number_reflns         5311
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0000
_refine_ls_R_factor_gt           0.0000
_refine_ls_shift/su_max          0.2260
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00001|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0000
_refine_ls_wR_factor_ref         0.0330
_reflns_number_gt                0
_reflns_number_total             9163
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic000305e_3.cif
_cod_data_source_block           '[CoPb(2_S)](ClO4)2'
_cod_original_cell_volume        3820.5(8)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C30 H40 Cl2 Co N6 O12 Pb S '
_cod_database_code               4321402