Hexafluoroiodium(VII) hexafluoroarsenate
Evgeny Goreshnik; Zoran Mazej; Acta Crystallographica Section C 62 (2006) i59–i60; doi:10.1107/S0108270106017719

data_2015402
_publ_section_title
;
 Hexafluoroiodium(VII) hexafluoroarsenate
;
_journal_coeditor_code           BC3005
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i59
_journal_page_last               i60
_journal_paper_doi               10.1107/S0108270106017719
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'As F12 I'
_chemical_formula_moiety         'F6 I, As F6'
_chemical_formula_sum            'As F12 I'
_chemical_formula_weight         429.82
_chemical_name_common            'Hexafluoroiodium(VII) hexafluoroarsenate'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.409(2)
_cell_length_b                   9.409(2)
_cell_length_c                   9.409(2)
_cell_measurement_reflns_used    48
_cell_measurement_temperature    200
_cell_measurement_theta_max      29.1292
_cell_measurement_theta_min      3.0631
_cell_volume                     833.0(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corporation, 1999)'
_computing_data_reduction        CrystalClear
_computing_publication_material
;
WinGX (Version 1.70; Farrugia, 1999), enCIFer (Version 1.2; Allen <i>et
al.</i>,  2004) and Diamond (Version 3.1; Bergerhoff <i>et al.</i>,
1996)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution
;
PATTY in DIRDIF92 (Beurskens <i>et al.</i>,  1992)
;
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device       'Rigaku Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3317
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         29.12
_diffrn_reflns_theta_min         3.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.957
_exptl_absorpt_correction_T_max  0.2
_exptl_absorpt_correction_T_min  0.1148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.716
_refine_diff_density_min         -0.599
_refine_ls_extinction_coef       0.0023(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc2^\l3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_matrix_type           full
_refine_ls_number_parameters     24
_refine_ls_number_reflns         354
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0213
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0225P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0523
_refine_ls_wR_factor_ref         0.0629
_reflns_number_gt                230
_reflns_number_total             354
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bc3005.cif
_cod_data_source_block           I
_cod_original_cell_volume        832.9(3)
_cod_original_formula_sum        'As F12 I1'
_cod_database_code               2015402
_cod_database_fobs_code          2015402