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_4312673
_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
'C42 H48 Cu2 N8 O2, C9 H18 O3, 4(C3 H6 O), 2(Cl O4)'
_chemical_formula_sum            'C63 H90 Cl2 Cu2 N8 O17'
_chemical_formula_weight         1429.45
_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'
_cell_angle_alpha                82.38(2)
_cell_angle_beta                 71.48(2)
_cell_angle_gamma                84.69(2)
_cell_formula_units_Z            1
_cell_length_a                   10.910(4)
_cell_length_b                   11.259(4)
_cell_length_c                   14.986(5)
_cell_measurement_reflns_used    7500
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.4
_cell_volume                     1727.6(11)
_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    SHELXS86
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9503
_diffrn_measured_fraction_theta_max 0.9503
_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  0.083
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9787
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.764
_exptl_absorpt_correction_T_max  0.926
_exptl_absorpt_correction_T_min  0.856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            'orange brown'
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             752.0
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.56
_refine_diff_density_min         -1.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.213
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     397
_refine_ls_number_reflns         7330
_refine_ls_R_factor_gt           0.0918
_refine_ls_shift/su_max          0.0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00116|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1234
_reflns_number_gt                4455
_reflns_number_total             7523
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0345166_3.cif
_cod_data_source_block           II
_cod_original_cell_volume        1727(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C63 H90 Cl2 Cu2 N8 O17 '
_cod_database_code               4312673