[Mg(XeF~2~)~n~](AsF~6~)~2~ (n = 4, 2): the first compounds of magnesium with XeF~2~
Melita Tramšek; Primož Benkič; Boris Žemva; Inorganic Chemistry 43 (2004) 699–703; doi:10.1021/ic034826o

data_4310409
_publ_contact_author_address
;
    Jo\<zef Stefan Institute
    Department of Inorganic Chemistry and Technology
    Jamova 39
    1000 Ljubljana
    Slovenia
;
_publ_contact_author_email       melita.tramsek@ijs.si
_publ_contact_author_fax         '(386) 1 423 21 25''
_publ_contact_author_name        'Dr. Melita Tram\<sek'
_publ_contact_author_phone       '(386) 1 477 33 01'
_publ_section_title
;
 [Mg(XeF~2~)~n~](AsF~6~)~2~ (n = 4, 2): the first compounds of magnesium
 with XeF~2~
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              699
_journal_page_last               703
_journal_paper_doi               10.1021/ic034826o
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'As2 F20 Mg Xe4'
_chemical_formula_weight         1079.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.698(15)
_cell_length_b                   14.517(15)
_cell_length_c                   15.344(16)
_cell_measurement_reflns_used    1151
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      29.13
_cell_measurement_theta_min      1.33
_cell_volume                     1937(4)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(1)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.858
_diffrn_measurement_details
;
scan:
    Number of images: 133
               Slice: 0.1000 - 40.0000
         Image width: 0.3000
            Exp time: 5.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 0.0000
                 XTD: 49.8837
              2theta: 20.0911
scan:
    Number of images: 600
               Slice: -90.0000 - 90.0000
         Image width: 0.3000
            Exp time: 5.0000
       Rotation axis: Phi
               Omega: 0.0000
                 Chi: 0.0000
                 Phi: 0.0000
                 XTD: 49.8837
              2theta: 20.0911

;
_diffrn_measurement_device
;
Mercury CCD (2x2 bin mode)
;
_diffrn_measurement_device_details
;
AFC7: Eulerian 3-circle
;
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0513
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7054
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        25.6
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    10.529
_exptl_absorpt_correction_T_max  0.349
_exptl_absorpt_correction_T_min  0.123
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    3.701
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.290
_refine_diff_density_min         -2.461
_refine_diff_density_rms         0.337
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4192
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.162
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+63.9799P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1124
_reflns_number_gt                3982
_reflns_number_total             4192
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034826osi20030715_060421_2.cif
_cod_data_source_block           Mg(XeF2)4(AsF6)2
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_database_code               4310409