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

data_4319759
_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 H3 C N'
_chemical_formula_moiety
'(C16 H32 N +)2,C36 H94 O16 Sb4 Si6 2-,2(C2 H3 N)'
_chemical_formula_sum            'C72 H172 N3 O16 Sb4 Si6'
_chemical_formula_weight         2093.45
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 95.985(3)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   14.3290(7)
_cell_length_b                   16.3670(9)
_cell_length_c                   22.3070(13)
_cell_measurement_temperature    120
_cell_volume                     5203.0(5)
_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      120
_diffrn_detector_area_resol_mean 10
_diffrn_measurement_device_type  'DIP-420 imageing plate scanner'
_diffrn_measurement_method       'phi axis oscillation'
_diffrn_radiation_detector       'imaging plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_sigmaI/netI    .044
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            12724
_diffrn_reflns_theta_max         28.44
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    1.151
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_description       prism
_exptl_crystal_F_000             2042
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.073
_refine_diff_density_min         -.941
_refine_ls_goodness_of_fit_all   268.633
_refine_ls_goodness_of_fit_ref   1.463
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     460
_refine_ls_number_reflns         7615
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .117
_refine_ls_R_factor_gt           .063
_refine_ls_shift/su_max          .026
_refine_ls_shift/su_mean         .003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w^-1=\s(Fsqd)^2+0.01(F^2)^2
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         43.378
_refine_ls_wR_factor_ref         .182
_reflns_d_resolution_high        .746
_reflns_d_resolution_low         9.166
_reflns_Friedel_coverage         0
_reflns_limit_h_max              18
_reflns_limit_h_min              -19
_reflns_limit_k_max              21
_reflns_limit_k_min              0
_reflns_limit_l_max              29
_reflns_limit_l_min              0
_reflns_number_gt                7615
_reflns_number_total             12724
_reflns_threshold_expression     'Fsqd >  3.00 sig(Fsqd)'
_cod_data_source_file            ic001308u_2.cif
_cod_data_source_block           sisb4
_cod_original_sg_symbol_Hall     -p_2yn
_cod_database_code               4319759