μ-η1:η1-Peroxo-Bridged Dinuclear Peroxotungstate Catalytically Active for Epoxidation of Olefins
Keigo Kamata; Shinjiro Kuzuya; Kazuhiro Uehara; Syuhei Yamaguchi; Noritaka Mizuno; Inorganic Chemistry 46 (2007) 3768–3774; doi:10.1021/ic0701211

data_4308137
_publ_contact_author_address
;
Department of Applied Chemistry, School of Engineering,
The University of Tokyo, 
7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
;
_publ_contact_author_email       tmizuno@mail.ecc.u-tokyo.ac.jp
_publ_contact_author_fax         +81-3-5841-7220
_publ_contact_author_name        'Noritaka Mizuno'
_publ_contact_author_phone       +81-3-5841-7272
_publ_section_title
;
\m-\h1:\h1-Peroxo-Bridged Dinuclear Peroxotungstate Catalytically Active
for Epoxidation of Olefins
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3768
_journal_page_last               3774
_journal_paper_doi               10.1021/ic0701211
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C32 H72 N2 O11 W2 '
_chemical_formula_sum            'C32 H72 N2 O11 W2'
_chemical_formula_weight         1028.63
_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                 92.7546(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.51870(10)
_cell_length_b                   32.8781(4)
_cell_length_c                   11.73850(10)
_cell_measurement_reflns_used    10804
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     4054.89(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  SHELXL
_diffrn_measured_fraction_theta_full 0.9888
_diffrn_measured_fraction_theta_max 0.9888
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11002
_diffrn_reflns_theta_full        29.14
_diffrn_reflns_theta_max         29.14
_exptl_absorpt_coefficient_mu    5.729
_exptl_absorpt_correction_T_max  0.5984
_exptl_absorpt_correction_T_min  0.2786
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2056.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.89
_refine_diff_density_min         -2.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     425
_refine_ls_number_reflns         10804
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1180P)^2^+3.3263P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1640
_reflns_number_gt                9123
_reflns_number_total             10804
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0701211si20070123_105058.cif
_cod_data_source_block           '_Template_texray.inf'
_cod_original_formula_sum        'C32 H72 N2 O11 W2 '
_cod_database_code               4308137