Reactivity of Bis(μ-hydroxo) Divanadium Site in γ-H2SiV2W10O404- with Hydroxo Compounds
Yoshinao Nakagawa; Kazuhiro Uehara; Noritaka Mizuno; Inorganic Chemistry 44 (2005) 9068–9075; doi:10.1021/ic051163x

data_4310103
_publ_section_title
;
Reactivity of Bis(\m-hydroxo) Divanadium Site in \g-H2SiV2W10O404- with
Hydroxo Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9068
_journal_page_last               9075
_journal_paper_doi               10.1021/ic051163x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C26 H66 N8 O40 Si V2 W10 '
_chemical_formula_sum            'C26 H66 N8 O40 Si V2 W10'
_chemical_formula_weight         3099.31
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.371(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.5707(3)
_cell_length_b                   22.2153(6)
_cell_length_c                   13.3566(3)
_cell_measurement_temperature    153.1
_cell_volume                     3151.59(15)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9698
_diffrn_measured_fraction_theta_max 0.9698
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8455
_diffrn_reflns_theta_full        29.13
_diffrn_reflns_theta_max         29.13
_exptl_absorpt_coefficient_mu    18.584
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            NONE
_exptl_crystal_density_diffrn    3.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NONE
_exptl_crystal_F_000             2796.00
_exptl_crystal_size_max          0.00
_exptl_crystal_size_mid          0.00
_exptl_crystal_size_min          0.00
_refine_diff_density_max         2.40
_refine_diff_density_min         -2.82
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   7.842
_refine_ls_number_parameters     226
_refine_ls_number_reflns         5675
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0590
_reflns_number_gt                5675
_reflns_number_total             8440
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic051163xsi20050712_095538_2.cif
_cod_data_source_block           '_Template_texray.inf'
_cod_original_cell_volume        3151.6(1)
_cod_original_formula_sum        'C26 H66 N8 O40 Si V2 W10 '
_cod_database_code               4310103