Mononuclear and Dinuclear Monoperoxovanadium(V) Complexes with a Hetero Ligand. 1.1 Self-Decomposition Reaction, Detection of Reactive Oxygen Species, and Oxidizing Ability
Kan Kanamori; Kazuya Nishida; Nanako Miyata; Toshiyuki Shimoyama; Kaori Hata; Chie Mihara; Ken-ichi Okamoto; Yuriko Abe; Shingo Hayakawa; Seiichi Matsugo; Inorganic Chemistry 43 (2004) 7127–7140; doi:10.1021/ic030292f

data_4311860
_publ_contact_author_email       ' kanamori@sci.toyama-u.ac.jp '
_publ_contact_author_fax         ' +81-76-445-6609 '
_publ_contact_author_name        ' Kan Kanamori'
_publ_contact_author_phone       ' +81-76-445-6609 '
_publ_section_title
;
 Mononuclear and Dinuclear Monoperoxovanadium(V) Complexes with a Hetero
 Ligand. 1.1 Self-Decomposition Reaction, Detection of Reactive Oxygen
 Species, and Oxidizing Ability
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7127
_journal_page_last               7140
_journal_paper_doi               10.1021/ic030292f
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C11 H19 Cs3 N2 O18 V2'
_chemical_formula_weight         967.87
_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             'Thu Oct 23 01:58:07 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 113.03(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.885(1)
_cell_length_b                   26.997(3)
_cell_length_c                   9.929(1)
_cell_measurement_temperature    273.2
_cell_volume                     2438.5(5)
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.0490
_diffrn_measured_fraction_theta_max 1.0490
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7588
_diffrn_reflns_theta_full        29.97
_diffrn_reflns_theta_max         29.97
_exptl_absorpt_coefficient_mu    5.266
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.369
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    2.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.000
_exptl_crystal_size_mid          0.000
_exptl_crystal_size_min          0.000
_refine_diff_density_max         1.02
_refine_diff_density_min         -1.93
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.996
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6000
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.0041
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.06000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1574
_reflns_number_gt                6000
_reflns_number_total             7429
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic030292f.cif
_cod_data_source_block           KEN5060
_cod_original_formula_sum        'C11 H19 Cs3 N2 O18 V2 '
_cod_database_code               4311860