Sterically Controlled Esterification on Bis(μ-hydroxo) Dioxovanadium Site in γ-H2SiV2W10O404-
Yoshinao Nakagawa; Kazuhiro Uehara; Noritaka Mizuno; Inorganic Chemistry 44 (2005) 14–16; doi:10.1021/ic0483388

data_4308327
_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
;
Sterically Controlled Esterification on Bis(\m-hydroxo) Dioxovanadium Site
in \g-H2SiV2W10O404-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              14
_journal_page_last               16
_journal_paper_doi               10.1021/ic0483388
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C16 H54 N4 O43 Si V2 W10 '
_chemical_formula_sum            'C16 H54 N4 O43 Si V2 W10'
_chemical_formula_weight         2959.07
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2003-06-30
_audit_creation_method           'by CrystalStructure v3.5.1'
_cell_angle_alpha                90
_cell_angle_beta                 110.308(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.7992(7)
_cell_length_b                   37.804(2)
_cell_length_c                   12.7372(8)
_cell_measurement_reflns_used    12420
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5328.4(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9961
_diffrn_measured_fraction_theta_max 0.9961
_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  0.039
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            118316
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    21.976
_exptl_absorpt_correction_T_max  0.111
_exptl_absorpt_correction_T_min  0.086
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.688
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5288.00
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.97
_refine_diff_density_min         -1.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.911
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     706
_refine_ls_number_reflns         10946
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.0110
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0250
_reflns_number_gt                10946
_reflns_number_total             12403
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0483388si20041123_094735.cif
_cod_data_source_block           '__solve1'
_cod_original_cell_volume        5328.4(6)
_cod_original_formula_sum        'C16 H54 N4 O43 Si V2 W10 '
_cod_database_code               4308327