On the Reactivity of F3S\τbNXeF+: Syntheses and Structural Characterizations of [F4S=N-Xe—N\τbSF3][AsF6], a Rare Example of a N-Xe-N Linkage, and [F3S(N\τbSF3)2][AsF6]
Gregory L. Smith; Gary J. Schrobilgen; Inorganic Chemistry 48 (2009) 7714–7728; doi:10.1021/ic900651n

data_4302924
_publ_section_title
;
On the Reactivity of F3S\\tbNXeF+: Syntheses and Structural
Characterizations of [F4S=N-Xe---N\\tbSF3][AsF6], a Rare Example of a
N-Xe-N Linkage, and [F3S(N\\tbSF3)2][AsF6]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7714
_journal_page_last               7728
_journal_paper_doi               10.1021/ic900651n
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'As F15 N2 S3'
_chemical_formula_weight         484.12
_chemical_name_common            'F3 S, As F6, N S F3, N S F3'
_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'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.9190(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.4722(5)
_cell_length_b                   16.2644(11)
_cell_length_c                   10.4247(7)
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      59.99
_cell_measurement_theta_min      0
_cell_volume                     1254.84(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0303
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18379
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    3.388
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.934
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       0.00000(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.366
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         3648
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.366
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          1.969
_refine_ls_shift/su_mean         0.012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0201P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0633
_reflns_number_gt                2909
_reflns_number_total             3648
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900651n_si_002_2.cif
_cod_data_source_block           F3S_2NSF3+AsF6-
_cod_database_code               4302924