Synthesis and Catalysis of Di- and Tetranuclear Metal Sandwich-Type Silicotungstates [(γ-SiW10O36)2M2(μ-OH)2]10- and [(γ-SiW10O36)2M4(μ4-O)(μ-OH)6]8- (M = Zr or Hf)
Yuji Kikukawa; Syuhei Yamaguchi; Kazutaka Tsuchida; Yoshinao Nakagawa; Kazuhiro Uehara; Kazuya Yamaguchi; Noritaka Mizuno; Journal of the American Chemical Society 130 (2008) 5472–5478; doi:10.1021/ja078313i

data_4107704
_publ_contact_author_email       tmizuno@mail.ecc.u-tokyo.ac.jp
_publ_contact_author_fax         +81-3-5841-7220
_publ_contact_author_name        'Professor Noritaka Mizuno'
_publ_contact_author_phone       +81-3-5841-7272
_publ_section_title
;
 Synthesis and Catalysis of Di- and Tetranuclear Metal Sandwich-Type
 Silicotungstates [(\g-SiW10O36)2M2(\m-OH)2]10- and
 [(\g-SiW10O36)2M4(\m4-O)(\m-OH)6]8- (M = Zr or Hf)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5472
_journal_page_last               5478
_journal_paper_doi               10.1021/ja078313i
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'Cs8 Hf4 O21 O76 Si2 W20 '
_chemical_formula_sum            'Cs8 Hf4 O97 Si2 W20'
_chemical_formula_weight         7062.32
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_audit_creation_date             2007-06-12
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.68130(10)
_cell_length_b                   12.68130(10)
_cell_length_c                   61.5483(9)
_cell_measurement_temperature    153.1
_cell_volume                     9897.91(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 29.26
_diffrn_measured_fraction_theta_full 0.901
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       -100
_diffrn_reflns_limit_h_min       100
_diffrn_reflns_limit_k_max       -100
_diffrn_reflns_limit_k_min       100
_diffrn_reflns_limit_l_max       -100
_diffrn_reflns_limit_l_min       100
_diffrn_reflns_number            11425
_diffrn_reflns_theta_full        29.17
_diffrn_reflns_theta_max         29.17
_exptl_absorpt_coefficient_mu    30.363
_exptl_absorpt_correction_T_max  0.000
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.739
_exptl_crystal_description       platelet
_exptl_crystal_F_000             12048.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         28.47
_refine_diff_density_min         -3.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_number_parameters     361
_refine_ls_number_reflns         11363
_refine_ls_R_factor_gt           0.0835
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2133
_reflns_number_gt                9730
_reflns_number_total             11363
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja078313i-file003.cif
_cod_data_source_block           '_shelxl'
_cod_depositor_comments
;
 Removing duplicate rows from the ATOM_TYPE loop.

 Antanas Vaitkus,
 2018-08-10
;
_cod_original_formula_sum        'Cs8 Hf4 O21 O76 Si2 W20 '
_cod_database_code               4107704