Preparation and structure of the unique silicon(iv) cation [SiF3(Me3tacn)]+
Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian; Chemical Communications  (2009) 1334–1336; doi:10.1039/b822236c

data_7111535
_publ_section_title
;
 Preparation and structure of the unique silicon(iv) cation
 [SiF3(Me3tacn)]+
;
_journal_issue                   11
_journal_name_full               'Chemical Communications'
_journal_page_first              1334
_journal_page_last               1336
_journal_paper_doi               10.1039/b822236c
_journal_year                    2009
_chemical_formula_moiety         'C10 H25 Cl F4 N3 Si 1+, F5 Si 1-'
_chemical_formula_structural     '((C10 H25 Cl N3) (F4 Si)) (F5 Si)'
_chemical_formula_sum            'C10 H25 Cl F9 N3 Si2'
_chemical_formula_weight         449.96
_chemical_name_systematic
;
tetrafluorosilicon(IV)-N-(chloromethyl)-2-
{[2-(dimethylamino)ethyl](methyl)amino}-N,N-dimethylethanaminium
pentafluorosilicon(IV)
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_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_date             2008-11-21
_audit_creation_method           'SHELXL-97 + hand edit'
_cell_angle_alpha                107.672(10)
_cell_angle_beta                 95.625(10)
_cell_angle_gamma                98.336(10)
_cell_formula_units_Z            2
_cell_length_a                   6.9707(15)
_cell_length_b                   11.533(2)
_cell_length_c                   12.264(2)
_cell_measurement_reflns_used    22305
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     918.9(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker-Nonius 95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0807
_diffrn_reflns_av_sigmaI/netI    0.0669
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17682
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         2.99
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.425
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'G.M. Sheldrick, (2007). SADABS. Version 2007/2. Bruker AXS Inc.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.633
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         4177
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.1249
_refine_ls_R_factor_gt           0.0819
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0973P)^2^+3.7402P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2012
_refine_ls_wR_factor_ref         0.2366
_reflns_number_gt                2895
_reflns_number_total             4177
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b822236csup1.cif
_cod_data_source_block           08wz1104
_cod_database_code               7111535