Ligand Effect on Reversible Conversion between Copper(I) and Bis(μ-oxo)dicopper(III) Complex with a Sterically Hindered Tetradentate Tripodal Ligand and Monooxygenase Activity of Bis(μ-oxo)dicopper(III) Complex
Masayasu Mizuno; Hideki Hayashi; Shuhei Fujinami; Hideki Furutachi; Shigenori Nagatomo; Shigenori Otake; Kounosuke Uozumi; Masatatsu Suzuki; Teizo Kitagawa; Inorganic Chemistry 42 (2003) 8534–8544; doi:10.1021/ic0345166

data_4312671
_publ_contact_author_address
;
Department of Chemistry, Faculty of Science, Kanazawa University,
Kakuma-machi, Kanazawa 920-1192, Japan
;
_publ_contact_author_email       ' Prof Masatatsu Suzuki'
_publ_contact_author_fax         ' +81-76-264-5742 '
_publ_contact_author_name        ' Prof Masatatsu Suzuki'
_publ_contact_author_phone       ' +81-76-264-5701 '
_publ_section_title
;
 Ligand Effect on Reversible Conversion between Copper(I) and
 Bis(\m-oxo)dicopper(III) Complex with a Sterically Hindered Tetradentate
 Tripodal Ligand and Monooxygenase Activity of Bis(\m-oxo)dicopper(III)
 Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8534
_journal_page_last               8544
_journal_paper_doi               10.1021/ic0345166
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C44 H54 Cu2 N8 O2, 2(C H4 O), 2(Cl O4)'
_chemical_formula_sum            'C46 H62 Cl2 Cu2 N8 O12'
_chemical_formula_weight         1117.04
_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'
_cell_angle_alpha                90
_cell_angle_beta                 97.700(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.642(3)
_cell_length_b                   16.689(4)
_cell_length_c                   12.885(4)
_cell_measurement_reflns_used    10601
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     2480.9(12)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9743
_diffrn_measured_fraction_theta_max 0.9743
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  'equatorial mounted graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20149
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.034
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             1164.0
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4115
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00070|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0441
_reflns_number_gt                4115
_reflns_number_total             5545
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic0345166_1.cif
_cod_data_source_block           III
_cod_original_cell_volume        2480(1)
_cod_original_formula_sum        'C46 H62 Cl2 Cu2 N8 O12 '
_cod_database_code               4312671