The First Simple, Donor-Free Salt of the Sb(OTeF5)6- Anion: Synthesis, Structure, Characterization, and Thermochemistry of Cs[Sb(OTeF5)6]
T. Stanley Cameron; Ingo Krossing; Jack Passmore; Inorganic Chemistry 40 (2001) 4488–4490; doi:10.1021/ic010217+

data_4327609
_publ_contact_author_address
;
    Universitat Karlsruhe, Institut f\"ur Anorganische Chemie,
      Engesser Str., Geb. 30.45, 76128 Karlsruhe Germany
;
_publ_contact_author_email       krossing@achpc9.chemie.uni-karlsruhe.de
_publ_contact_author_fax         '++49 721 608 29 51'
_publ_contact_author_name        ' Ingo Krossing'
_publ_contact_author_phone       '++49 721 608 29 51'
_publ_section_title
;
 The First Simple, Donor-Free Salt of the Sb(OTeF5)6- Anion: Synthesis,
 Structure, Characterization, and Thermochemistry of Cs[Sb(OTeF5)6]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4488
_journal_page_last               4490
_journal_paper_doi               10.1021/ic010217+
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'Cs F30 O6 Sb Te6 '
_chemical_formula_sum            'Cs F30 O6 Sb Te6'
_chemical_formula_weight         1686.20
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_audit_creation_date             2001-02-07
_audit_creation_method           'by teXsan for Windows v1.06'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.260(3)
_cell_length_b                   14.2604
_cell_length_c                   14.618(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    213.2
_cell_measurement_theta_max      14.4
_cell_measurement_theta_min      8.0
_cell_volume                     2972.6(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_publication_material
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_refinement
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_solution
;
SHELXS86 (Sheldrick, 1985)
;
_diffrn_ambient_temperature      213.2
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.03386
_diffrn_orient_matrix_UB_12      0.04008
_diffrn_orient_matrix_UB_13      0.04538
_diffrn_orient_matrix_UB_21      -0.01436
_diffrn_orient_matrix_UB_22      -0.04648
_diffrn_orient_matrix_UB_23      0.04927
_diffrn_orient_matrix_UB_31      0.05970
_diffrn_orient_matrix_UB_32      -0.03391
_diffrn_orient_matrix_UB_33      -0.01389
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00042
_diffrn_reflns_av_sigmaI/netI    0.398
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2682
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         2.79
_diffrn_standards_decay_%        -11.89
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.113
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.810
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.767
_exptl_crystal_description       plate
_exptl_crystal_F_000             2944.00
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.37
_refine_diff_density_min         -1.22
_refine_ls_extinction_coef       0.000000006(5)
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   1.766
_refine_ls_goodness_of_fit_ref   1.770
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     92
_refine_ls_number_reflns         366
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0582
_refine_ls_shift/su_max          0.1100
_refine_ls_shift/su_mean         0.0246
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00001|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0510
_refine_ls_wR_factor_ref         0.0510
_reflns_number_gt                366
_reflns_number_total             2474
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            ic010217.cif
_cod_data_source_block           '_Cs_Sb(OTeF5)6___________'
_cod_original_cell_volume        2972.8(8)
_cod_original_sg_symbol_H-M      'P 42/n '
_cod_original_formula_sum        'Cs F30 O6 Sb Te6 '
_cod_database_code               4327609
_cod_database_fobs_code          4327609