A New Polyantimonate with an Sb4O16 Core
Y. Kusaka; Y. Ozawa; A. Yagasaki; Inorganic Chemistry 40 (2001) 2634–2635; doi:10.1021/ic001308u

data_4319758
_publ_section_title
;
 A New Polyantimonate with an Sb4O16 Core
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2634
_journal_page_last               2635
_journal_paper_doi               10.1021/ic001308u
_journal_volume                  40
_journal_year                    2001
_chemical_formula_iupac
'[(C4 H9)4 N]2 [Sb4 O6 (O H)4 (O Si (C H3)2 (C4 H9) )6].2C H2 Cl2'
_chemical_formula_moiety
'(C16 H32 N +)2,C36 H94 O16 Sb4 Si6 2-,2(C H2 Cl2)'
_chemical_formula_sum            'C70 H170 Cl4 N2 O16 Sb4 Si6'
_chemical_formula_weight         2093.45
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000(9)
_cell_angle_beta                 93.670(9)
_cell_angle_gamma                90.000(9)
_cell_formula_units_Z            4
_cell_length_a                   20.962(2)
_cell_length_b                   21.070(2)
_cell_length_c                   23.672(2)
_cell_measurement_temperature    170
_cell_volume                     10433.8(17)
_computing_cell_refinement       SCALEPACK
_computing_data_collection       DENZO
_computing_data_reduction        SCALEPACK
_computing_molecular_graphics    ORTEP-III
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      170
_diffrn_detector_area_resol_mean 10
_diffrn_measurement_device_type  'MAC Science DIP-LABO'
_diffrn_measurement_method       'phi axis oscillation'
_diffrn_radiation_detector       'imaging plate'
_diffrn_radiation_monochromator  'Si 311'
_diffrn_radiation_source         synchorotron
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     .331
_diffrn_reflns_av_sigmaI/netI    .17
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            20535
_diffrn_reflns_theta_max         13.9
_diffrn_reflns_theta_min         .9
_exptl_absorpt_coefficient_mu    .759
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_description       prism
_exptl_crystal_F_000             4288
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.549
_refine_diff_density_min         -1.394
_refine_ls_goodness_of_fit_all   1.301
_refine_ls_goodness_of_fit_ref   1.376
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     549
_refine_ls_number_reflns         6272
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .286
_refine_ls_R_factor_gt           .095
_refine_ls_shift/su_max          .523
_refine_ls_shift/su_mean         .036
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w^-1=\s(F^2)^2+0.01(F^2)^2
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .405
_refine_ls_wR_factor_ref         .242
_reflns_d_resolution_high        .689
_reflns_d_resolution_low         10.513
_reflns_Friedel_coverage         0
_reflns_limit_h_max              30
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_reflns_limit_k_max              30
_reflns_limit_k_min              0
_reflns_limit_l_max              34
_reflns_limit_l_min              0
_reflns_number_gt                6272
_reflns_number_total             20535
_reflns_threshold_expression     'Fsqd >  3.00 sig(Fsqd)'
_cod_data_source_file            ic001308u_1.cif
_cod_data_source_block           sisb81
_cod_original_cell_volume        10433.8(18)
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_database_code               4319758