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_4310104
_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         'C25.50 H70.50 N6.50 O42.50 Si V2 W10 '
_chemical_formula_sum            'C25.5 H70.5 N6.5 O42.5 Si V2 W10'
_chemical_formula_weight         3116.82
_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                77.7050(8)
_cell_angle_beta                 89.5480(8)
_cell_angle_gamma                81.9440(13)
_cell_formula_units_Z            2
_cell_length_a                   13.1578(2)
_cell_length_b                   13.5146(3)
_cell_length_c                   21.2057(4)
_cell_measurement_temperature    153.1
_cell_volume                     3647.06(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.943
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            18436
_diffrn_reflns_theta_full        29.10
_diffrn_reflns_theta_max         29.10
_exptl_absorpt_coefficient_mu    16.062
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            NONE
_exptl_crystal_density_diffrn    2.838
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NONE
_exptl_crystal_F_000             2818.00
_exptl_crystal_size_max          0.00
_exptl_crystal_size_mid          0.00
_exptl_crystal_size_min          0.00
_refine_diff_density_max         4.26
_refine_diff_density_min         -1.58
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   8.367
_refine_ls_number_parameters     413
_refine_ls_number_reflns         13185
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0516
_reflns_number_gt                13185
_reflns_number_total             18436
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic051163xsi20050712_095538_3.cif
_cod_data_source_block           '_Template_texray.inf'
_cod_original_formula_sum        'C25.50 H70.50 N6.50 O42.50 Si V2 W10 '
_cod_database_code               4310104