# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2005


data_global

_journal_coden_Cambridge         440

loop_
_publ_author_name
'Clemens Krempner'
'U. Jager-Fiedler'
'C. Mamat'
'Anke Spannenberg'
'K. Weichert'

_publ_contact_author_name        'Clemens Krempner'
_publ_contact_author_address     
;
Department of Chemistry
The Ohio State University
100 W. 18th Ave
Columbus
Ohio
43210
UNITED STATES OF AMERICA
;

_publ_contact_author_email       CKREMPNE@CHEMISTRY.OHIO-STATE.EDU

_publ_requested_journal          'New Journal of Chemistry'

_publ_section_title              
;
Highly Reactive Oligosilyltriflates - Synthesis,
Structure and Rearrangement
;

# Attachment 'Ks099.cif'

data_ks099
_database_code_depnum_ccdc_archive 'CCDC 288229'

_audit_creation_method           SHELXL
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_sum            'C16 H42 F6 O6 S2 Si7'
_chemical_formula_weight         705.25
_chemical_melting_point          ?
_chemical_compound_source        ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.992(2)
_cell_length_b                   16.534(3)
_cell_length_c                   23.992(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.85(3)
_cell_angle_gamma                90.00
_cell_volume                     3562.6(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    5000
_cell_measurement_theta_min      4
_cell_measurement_theta_max      20

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1480
_exptl_absorpt_coefficient_mu    0.443
_exptl_absorpt_correction_type   'mean imaging plate intensity method'
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       STOE-IPDS
_diffrn_measurement_method       'laser scanned imaging plate'
_diffrn_standards_number         50-200
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  360
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8670
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0566
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.10
_diffrn_reflns_theta_max         22.50
_reflns_number_total             4657
_reflns_number_observed          3692
_reflns_observed_criterion       >2sigma(I)

_computing_data_collection       STOE-EXPOSE
_computing_cell_refinement       STOE-CELL
_computing_data_reduction        STOE-INTEGRATE
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics    XP
_computing_publication_material  SHELXL-93

_refine_special_details          
;
Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^
or flagged by the user for potential systematic errors. Weighted R-factors
wR and all goodnesses of fit S are based on F^2^, conventional R-factors R
are based on F, with F set to zero for negative F^2^. The observed criterion
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      
'calc w=1/[\s^2^(Fo^2^)+(0.0752P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4657
_refine_ls_number_parameters     334
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_obs          0.0455
_refine_ls_wR_factor_all         0.1209
_refine_ls_wR_factor_obs         0.1163
_refine_ls_goodness_of_fit_all   1.017
_refine_ls_goodness_of_fit_obs   1.109
_refine_ls_restrained_S_all      1.017
_refine_ls_restrained_S_obs      1.109
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
C16 C 0.4672(7) 0.4384(3) 0.5830(2) 0.075(2) Uani 1 d . .
F4 F 0.4664(4) 0.4238(2) 0.52825(14) 0.1035(12) Uani 1 d . .
F5 F 0.4766(5) 0.5179(2) 0.58879(15) 0.125(2) Uani 1 d . .
F6 F 0.5793(4) 0.4047(3) 0.6074(2) 0.127(2) Uani 1 d . .
S1 S 0.23161(10) -0.04891(5) 0.63460(4) 0.0333(3) Uani 1 d . .
S2 S 0.29424(11) 0.40399(6) 0.60929(4) 0.0405(3) Uani 1 d . .
Si1 Si 0.03819(10) 0.17841(5) 0.60943(4) 0.0240(2) Uani 1 d . .
Si2 Si 0.15394(10) 0.11084(5) 0.68651(4) 0.0230(2) Uani 1 d . .
Si3 Si 0.18748(10) 0.25094(5) 0.54865(4) 0.0236(2) Uani 1 d . .
Si4 Si -0.02998(11) 0.05203(6) 0.74203(4) 0.0347(3) Uani 1 d . .
Si5 Si 0.33073(11) 0.18253(6) 0.74327(4) 0.0310(3) Uani 1 d . .
Si6 Si 0.03350(12) 0.32294(6) 0.48219(4) 0.0374(3) Uani 1 d . .
Si7 Si 0.37000(11) 0.17578(6) 0.50353(4) 0.0355(3) Uani 1 d . .
O1 O 0.2669(3) 0.03522(14) 0.65712(11) 0.0365(6) Uani 1 d . .
O2 O 0.2732(3) -0.0567(2) 0.57880(11) 0.0520(8) Uani 1 d . .
O3 O 0.0893(3) -0.0755(2) 0.64997(12) 0.0492(7) Uani 1 d . .
O4 O 0.2972(3) 0.31699(14) 0.59249(11) 0.0377(6) Uani 1 d . .
O5 O 0.3151(4) 0.4113(2) 0.66877(12) 0.0636(9) Uani 1 d . .
O6 O 0.1748(4) 0.4457(2) 0.58174(14) 0.0664(9) Uani 1 d . .
F1 F 0.3611(4) -0.0924(2) 0.72940(11) 0.0826(9) Uani 1 d . .
F2 F 0.5048(3) -0.0879(2) 0.66186(13) 0.0760(8) Uani 1 d . .
F3 F 0.3493(3) -0.18448(14) 0.66658(12) 0.0673(8) Uani 1 d . .
C1 C -0.0979(4) 0.2486(2) 0.6412(2) 0.0471(11) Uani 1 d . .
H1A H -0.0437(4) 0.2886(2) 0.6645(2) 0.071 Uiso 1 calc R .
H1B H -0.1645(4) 0.2175(2) 0.6642(2) 0.071 Uiso 1 calc R .
H1C H -0.1566(4) 0.2764(2) 0.6115(2) 0.071 Uiso 1 calc R .
C2 C -0.0590(4) 0.1001(2) 0.5641(2) 0.0413(10) Uani 1 d . .
H2A H 0.0151(4) 0.0645(2) 0.5482(2) 0.062 Uiso 1 calc R .
H2B H -0.1174(4) 0.1269(2) 0.5339(2) 0.062 Uiso 1 calc R .
H2C H -0.1253(4) 0.0680(2) 0.5866(2) 0.062 Uiso 1 calc R .
C3 C -0.1976(4) 0.0152(3) 0.7011(2) 0.0450(10) Uani 1 d . .
H3A H -0.2397(4) 0.0594(3) 0.6781(2) 0.068 Uiso 1 calc R .
H3B H -0.2719(4) -0.0037(3) 0.7266(2) 0.068 Uiso 1 calc R .
H3C H -0.1696(4) -0.0295(3) 0.6769(2) 0.068 Uiso 1 calc R .
C4 C 0.0524(5) -0.0314(3) 0.7863(2) 0.0542(12) Uani 1 d . .
H4A H 0.1405(5) -0.0113(3) 0.8077(2) 0.081 Uiso 1 calc R .
H4B H 0.0811(5) -0.0763(3) 0.7624(2) 0.081 Uiso 1 calc R .
H4C H -0.0213(5) -0.0504(3) 0.8121(2) 0.081 Uiso 1 calc R .
C5 C -0.0904(5) 0.1349(3) 0.7891(2) 0.0564(12) Uani 1 d . .
H5A H -0.0039(5) 0.1554(3) 0.8112(2) 0.085 Uiso 1 calc R .
H5B H -0.1639(5) 0.1137(3) 0.8141(2) 0.085 Uiso 1 calc R .
H5C H -0.1350(5) 0.1789(3) 0.7666(2) 0.085 Uiso 1 calc R .
C6 C 0.3957(5) 0.1163(3) 0.8023(2) 0.0597(13) Uani 1 d . .
H6A H 0.3107(5) 0.1011(3) 0.8241(2) 0.090 Uiso 1 calc R .
H6B H 0.4690(5) 0.1455(3) 0.8262(2) 0.090 Uiso 1 calc R .
H6C H 0.4416(5) 0.0675(3) 0.7876(2) 0.090 Uiso 1 calc R .
C7 C 0.2378(5) 0.2744(3) 0.7706(2) 0.0547(12) Uani 1 d . .
H7A H 0.2039(5) 0.3090(3) 0.7393(2) 0.082 Uiso 1 calc R .
H7B H 0.3086(5) 0.3044(3) 0.7951(2) 0.082 Uiso 1 calc R .
H7C H 0.1522(5) 0.2581(3) 0.7916(2) 0.082 Uiso 1 calc R .
C8 C 0.4956(4) 0.2098(3) 0.7033(2) 0.0450(10) Uani 1 d . .
H8A H 0.4643(4) 0.2447(3) 0.6719(2) 0.067 Uiso 1 calc R .
H8B H 0.5410(4) 0.1604(3) 0.6891(2) 0.067 Uiso 1 calc R .
H8C H 0.5684(4) 0.2385(3) 0.7278(2) 0.067 Uiso 1 calc R .
C9 C -0.1301(6) 0.3698(3) 0.5119(2) 0.076(2) Uani 1 d . .
H9A H -0.1854(6) 0.3288(3) 0.5319(2) 0.114 Uiso 1 calc R .
H9B H -0.1946(6) 0.3928(3) 0.4817(2) 0.114 Uiso 1 calc R .
H9C H -0.0977(6) 0.4129(3) 0.5378(2) 0.114 Uiso 1 calc R .
C10 C 0.1403(6) 0.3995(3) 0.4439(2) 0.0625(13) Uani 1 d . .
H10A H 0.2272(6) 0.3737(3) 0.4284(2) 0.094 Uiso 1 calc R .
H10B H 0.1735(6) 0.4426(3) 0.4697(2) 0.094 Uiso 1 calc R .
H10C H 0.0766(6) 0.4225(3) 0.4136(2) 0.094 Uiso 1 calc R .
C11 C -0.0313(7) 0.2442(3) 0.4308(2) 0.085(2) Uani 1 d . .
H11A H 0.0550(7) 0.2187(3) 0.4147(2) 0.127 Uiso 1 calc R .
H11B H -0.0940(7) 0.2694(3) 0.4011(2) 0.127 Uiso 1 calc R .
H11C H -0.0891(7) 0.2031(3) 0.4497(2) 0.127 Uiso 1 calc R .
C12 C 0.4632(6) 0.2427(3) 0.4532(2) 0.0660(14) Uani 1 d . .
H12A H 0.3889(6) 0.2638(3) 0.4257(2) 0.099 Uiso 1 calc R .
H12B H 0.5383(6) 0.2117(3) 0.4341(2) 0.099 Uiso 1 calc R .
H12C H 0.5114(6) 0.2879(3) 0.4735(2) 0.099 Uiso 1 calc R .
C13 C 0.2818(5) 0.0881(3) 0.4663(2) 0.0590(12) Uani 1 d . .
H13A H 0.2056(5) 0.1075(3) 0.4389(2) 0.089 Uiso 1 calc R .
H13B H 0.2356(5) 0.0526(3) 0.4932(2) 0.089 Uiso 1 calc R .
H13C H 0.3578(5) 0.0578(3) 0.4471(2) 0.089 Uiso 1 calc R .
C14 C 0.5137(5) 0.1369(3) 0.5551(2) 0.0623(13) Uani 1 d . .
H14A H 0.5614(5) 0.1824(3) 0.5751(2) 0.093 Uiso 1 calc R .
H14B H 0.5889(5) 0.1065(3) 0.5356(2) 0.093 Uiso 1 calc R .
H14C H 0.4667(5) 0.1013(3) 0.5817(2) 0.093 Uiso 1 calc R .
C15 C 0.3696(5) -0.1069(2) 0.6758(2) 0.0455(11) Uani 1 d . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C16 0.091(4) 0.069(4) 0.066(4) -0.026(3) 0.019(3) -0.041(3)
F4 0.135(3) 0.114(3) 0.065(2) -0.021(2) 0.042(2) -0.057(2)
F5 0.197(4) 0.088(2) 0.093(3) -0.020(2) 0.029(3) -0.102(3)
F6 0.040(2) 0.228(5) 0.112(3) 0.005(3) -0.001(2) -0.018(2)
S1 0.0380(6) 0.0246(5) 0.0367(6) -0.0051(4) -0.0040(4) 0.0047(4)
S2 0.0442(6) 0.0293(5) 0.0476(7) -0.0092(5) -0.0019(5) -0.0023(4)
Si1 0.0210(5) 0.0238(5) 0.0270(6) 0.0025(4) 0.0001(4) -0.0009(4)
Si2 0.0244(5) 0.0203(5) 0.0244(5) -0.0005(4) 0.0004(4) -0.0009(4)
Si3 0.0259(5) 0.0211(5) 0.0237(5) -0.0008(4) 0.0015(4) -0.0019(4)
Si4 0.0337(6) 0.0366(6) 0.0342(6) 0.0056(5) 0.0060(5) -0.0072(5)
Si5 0.0302(5) 0.0329(6) 0.0294(6) -0.0042(4) -0.0040(4) -0.0035(4)
Si6 0.0452(6) 0.0330(6) 0.0330(6) 0.0077(5) -0.0084(5) -0.0024(5)
Si7 0.0363(6) 0.0354(6) 0.0359(6) -0.0107(5) 0.0118(5) -0.0003(5)
O1 0.0336(14) 0.0225(13) 0.054(2) -0.0073(12) 0.0045(12) 0.0032(11)
O2 0.075(2) 0.045(2) 0.036(2) -0.0048(13) 0.0012(14) 0.0107(15)
O3 0.039(2) 0.038(2) 0.071(2) -0.0161(14) 0.0012(14) -0.0062(13)
O4 0.0384(14) 0.0280(14) 0.045(2) -0.0040(12) -0.0114(12) -0.0097(11)
O5 0.082(2) 0.075(2) 0.035(2) -0.016(2) 0.0084(15) -0.007(2)
O6 0.077(2) 0.046(2) 0.074(2) -0.006(2) -0.012(2) 0.020(2)
F1 0.110(2) 0.092(2) 0.043(2) -0.003(2) -0.0178(15) 0.045(2)
F2 0.038(2) 0.080(2) 0.108(2) 0.005(2) -0.0096(14) 0.0128(14)
F3 0.089(2) 0.0317(14) 0.081(2) 0.0074(13) -0.0006(15) 0.0200(13)
C1 0.046(2) 0.048(2) 0.049(3) 0.011(2) 0.012(2) 0.013(2)
C2 0.041(2) 0.045(2) 0.037(2) 0.004(2) -0.008(2) -0.015(2)
C3 0.036(2) 0.048(3) 0.051(3) 0.002(2) 0.008(2) -0.009(2)
C4 0.058(3) 0.057(3) 0.048(3) 0.020(2) 0.011(2) -0.008(2)
C5 0.059(3) 0.067(3) 0.045(3) -0.004(2) 0.020(2) -0.010(2)
C6 0.063(3) 0.074(3) 0.041(3) 0.008(2) -0.019(2) -0.011(3)
C7 0.049(3) 0.049(3) 0.066(3) -0.023(2) 0.005(2) -0.007(2)
C8 0.032(2) 0.056(3) 0.047(3) -0.003(2) -0.003(2) -0.007(2)
C9 0.067(3) 0.088(4) 0.073(4) 0.027(3) 0.002(3) 0.033(3)
C10 0.080(3) 0.055(3) 0.053(3) 0.022(2) 0.002(2) -0.003(3)
C11 0.135(5) 0.053(3) 0.061(3) 0.012(3) -0.053(3) -0.018(3)
C12 0.078(3) 0.055(3) 0.070(3) -0.007(3) 0.047(3) -0.005(3)
C13 0.069(3) 0.048(3) 0.061(3) -0.020(2) 0.011(2) -0.006(2)
C14 0.044(3) 0.070(3) 0.074(3) -0.011(3) 0.005(2) 0.021(2)
C15 0.056(3) 0.037(3) 0.043(3) -0.005(2) -0.005(2) 0.014(2)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C16 F6 1.270(7) . ?
C16 F5 1.324(6) . ?
C16 F4 1.335(6) . ?
C16 S2 1.800(5) . ?
S1 O2 1.414(3) . ?
S1 O3 1.419(3) . ?
S1 O1 1.520(2) . ?
S1 C15 1.821(4) . ?
S2 O6 1.413(3) . ?
S2 O5 1.435(3) . ?
S2 O4 1.494(3) . ?
Si1 C1 1.876(4) . ?
Si1 C2 1.878(4) . ?
Si1 Si2 2.3581(14) . ?
Si1 Si3 2.3582(14) . ?
Si2 O1 1.778(2) . ?
Si2 Si5 2.3604(14) . ?
Si2 Si4 2.3821(15) . ?
Si3 O4 1.780(2) . ?
Si3 Si7 2.3634(14) . ?
Si3 Si6 2.3785(14) . ?
Si4 C3 1.861(4) . ?
Si4 C4 1.872(4) . ?
Si4 C5 1.872(4) . ?
Si5 C6 1.860(4) . ?
Si5 C8 1.861(4) . ?
Si5 C7 1.868(4) . ?
Si6 C9 1.838(5) . ?
Si6 C10 1.858(4) . ?
Si6 C11 1.867(5) . ?
Si7 C14 1.859(5) . ?
Si7 C13 1.861(4) . ?
Si7 C12 1.867(4) . ?
F1 C15 1.314(5) . ?
F2 C15 1.315(5) . ?
F3 C15 1.313(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F6 C16 F5 110.0(5) . . ?
F6 C16 F4 109.9(5) . . ?
F5 C16 F4 106.3(5) . . ?
F6 C16 S2 112.3(4) . . ?
F5 C16 S2 109.2(4) . . ?
F4 C16 S2 109.0(4) . . ?
O2 S1 O3 120.2(2) . . ?
O2 S1 O1 111.1(2) . . ?
O3 S1 O1 111.5(2) . . ?
O2 S1 C15 105.1(2) . . ?
O3 S1 C15 107.1(2) . . ?
O1 S1 C15 99.5(2) . . ?
O6 S2 O5 118.9(2) . . ?
O6 S2 O4 111.6(2) . . ?
O5 S2 O4 110.2(2) . . ?
O6 S2 C16 109.3(3) . . ?
O5 S2 C16 104.5(2) . . ?
O4 S2 C16 100.5(2) . . ?
C1 Si1 C2 111.6(2) . . ?
C1 Si1 Si2 104.22(13) . . ?
C2 Si1 Si2 107.57(13) . . ?
C1 Si1 Si3 109.86(13) . . ?
C2 Si1 Si3 104.80(13) . . ?
Si2 Si1 Si3 118.90(5) . . ?
O1 Si2 Si1 105.11(10) . . ?
O1 Si2 Si5 101.55(9) . . ?
Si1 Si2 Si5 118.22(5) . . ?
O1 Si2 Si4 111.15(9) . . ?
Si1 Si2 Si4 109.90(5) . . ?
Si5 Si2 Si4 110.41(5) . . ?
O4 Si3 Si1 105.21(10) . . ?
O4 Si3 Si7 102.48(10) . . ?
Si1 Si3 Si7 116.45(5) . . ?
O4 Si3 Si6 112.09(9) . . ?
Si1 Si3 Si6 109.80(5) . . ?
Si7 Si3 Si6 110.52(5) . . ?
C3 Si4 C4 110.2(2) . . ?
C3 Si4 C5 107.8(2) . . ?
C4 Si4 C5 108.4(2) . . ?
C3 Si4 Si2 113.89(14) . . ?
C4 Si4 Si2 110.62(14) . . ?
C5 Si4 Si2 105.60(14) . . ?
C6 Si5 C8 107.9(2) . . ?
C6 Si5 C7 109.9(2) . . ?
C8 Si5 C7 111.5(2) . . ?
C6 Si5 Si2 108.70(15) . . ?
C8 Si5 Si2 110.79(13) . . ?
C7 Si5 Si2 108.09(14) . . ?
C9 Si6 C10 110.3(2) . . ?
C9 Si6 C11 108.7(3) . . ?
C10 Si6 C11 107.5(2) . . ?
C9 Si6 Si3 113.7(2) . . ?
C10 Si6 Si3 112.0(2) . . ?
C11 Si6 Si3 104.2(2) . . ?
C14 Si7 C13 108.4(2) . . ?
C14 Si7 C12 108.4(2) . . ?
C13 Si7 C12 110.2(2) . . ?
C14 Si7 Si3 110.65(15) . . ?
C13 Si7 Si3 109.9(2) . . ?
C12 Si7 Si3 109.18(15) . . ?
S1 O1 Si2 132.2(2) . . ?
S2 O4 Si3 137.1(2) . . ?
F3 C15 F1 109.2(4) . . ?
F3 C15 F2 108.2(3) . . ?
F1 C15 F2 107.8(4) . . ?
F3 C15 S1 109.7(3) . . ?
F1 C15 S1 111.4(3) . . ?
F2 C15 S1 110.5(3) . . ?

_refine_diff_density_max         0.713
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.079