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_4310102
_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         'C46 H96 K3.50 N0.50 O63.50 Si V2 W10 '
_chemical_formula_sum            'C46 H96 K3.5 N0.5 O63.5 Si V2 W10'
_chemical_formula_weight         3777.54
_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                81.44(2)
_cell_angle_beta                 84.21(2)
_cell_angle_gamma                67.64(2)
_cell_formula_units_Z            2
_cell_length_a                   15.107(7)
_cell_length_b                   17.440(8)
_cell_length_c                   21.742(12)
_cell_measurement_reflns_used    13287
_cell_measurement_temperature    183.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5232(5)
_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    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.8946
_diffrn_measured_fraction_theta_max 0.8946
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.061
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            67858
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    11.367
_exptl_absorpt_correction_T_max  0.103
_exptl_absorpt_correction_T_min  0.074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3500.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.58
_refine_diff_density_min         -2.92
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   4.079
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     681
_refine_ls_number_reflns         10511
_refine_ls_R_factor_gt           0.0640
_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         0.0730
_reflns_number_gt                10511
_reflns_number_total             21484
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic051163xsi20050712_095538_1.cif
_cod_data_source_block           '__030909'
_cod_original_cell_volume        5232.6(43)
_cod_original_formula_sum        'C46 H96 K3.50 N0.50 O63.50 Si V2 W10 '
_cod_database_code               4310102