F5SN(H)Xe+; a Rare Example of Xenon Bonded to sp3-Hybridized Nitrogen; Synthesis and Structural Characterization of [F5SN(H)Xe][AsF6]
Gregory L. Smith; Hélène P. A. Mercier; Gary J. Schrobilgen; Inorganic Chemistry 47 (2008) 4173–4184; doi:10.1021/ic702039f

data_4304542
_publ_section_title
;
F5SN(H)Xe+; a Rare Example of Xenon Bonded to sp3-Hybridized Nitrogen;
Synthesis and Structural Characterization of [F5SN(H)Xe][AsF6]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4173
_journal_page_last               4184
_journal_paper_doi               10.1021/ic702039f
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'As F11 H N S Xe'
_chemical_formula_weight         462.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.551(5)
_cell_angle_beta                 83.398(5)
_cell_angle_gamma                86.278(6)
_cell_formula_units_Z            2
_cell_length_a                   5.3248(9)
_cell_length_b                   7.1002(13)
_cell_length_c                   11.877(2)
_cell_measurement_temperature    100(2)
_cell_volume                     444.84(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0277
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5963
_diffrn_reflns_theta_full        24.50
_diffrn_reflns_theta_max         24.50
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    7.949
_exptl_crystal_density_diffrn    3.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             420
_refine_diff_density_max         0.563
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     140
_refine_ls_number_reflns         1471
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0218
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0182P)^2^+0.9399P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0463
_refine_ls_wR_factor_ref         0.0481
_reflns_number_gt                1321
_reflns_number_total             1471
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702039f-file003.cif
_cod_data_source_block           gls002
_cod_original_cell_volume        444.83(14)
_cod_original_formula_sum        'H As F11 N S Xe'
_cod_database_code               4304542