#------------------------------------------------------------------------------
#$Date: 2017-02-04 16:00:39 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191654 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/16/7041629.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7041629
loop_
_publ_author_name
'Tomaschautzky, Janek'
'Neumann, Beate'
'Stammler, Hans-Georg'
'Mix, Andreas'
'Mitzel, Norbert W.'
_publ_section_title
;
 Tridentate Lewis-acids based on triphenylsilane.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1645
_journal_page_last               1659
_journal_paper_doi               10.1039/c6dt04293g
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C42 H30 F16 Si4'
_chemical_formula_sum            'C42 H30 F16 Si4'
_chemical_formula_weight         951.02
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2015-01-29
_audit_creation_method
;
  Olex2 1.2-ac2
  (compiled 2012.03.27 svn.r2268, GUI svn.r4156)
;
_audit_update_record
;
2016-10-28 deposited with the CCDC.
2017-01-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   20.81418(9)
_cell_length_b                   20.81418(9)
_cell_length_c                   32.64138(14)
_cell_measurement_reflns_used    114950
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      72.1990
_cell_measurement_theta_min      2.7410
_cell_volume                     12246.66(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3114
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.9998
_diffrn_measured_fraction_theta_max 0.9985
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -50.00   33.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   38.0000 -180.0000 83

#__ type_ start__ end____ width___ exp.time_
  2 omega   13.00  115.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   77.0000  150.0000 102

#__ type_ start__ end____ width___ exp.time_
  3 omega   23.00  114.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   38.0000  -90.0000 91

#__ type_ start__ end____ width___ exp.time_
  4 omega   18.00  112.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   57.0000   60.0000 94

#__ type_ start__ end____ width___ exp.time_
  5 omega   18.00  112.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   57.0000  -30.0000 94

#__ type_ start__ end____ width___ exp.time_
  6 omega   57.00  127.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988  178.0000  150.0000 70

#__ type_ start__ end____ width___ exp.time_
  7 omega   13.00  115.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   77.0000   90.0000 102

#__ type_ start__ end____ width___ exp.time_
  8 omega   13.00  115.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   77.0000  -90.0000 102

#__ type_ start__ end____ width___ exp.time_
  9 omega   13.00  115.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   77.0000    0.0000 102

#__ type_ start__ end____ width___ exp.time_
 10 omega   13.00  115.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   77.0000 -150.0000 102

#__ type_ start__ end____ width___ exp.time_
 11 omega   57.00  127.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988  178.0000  -30.0000 70

#__ type_ start__ end____ width___ exp.time_
 12 omega   57.00  127.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988  178.0000   60.0000 70

#__ type_ start__ end____ width___ exp.time_
 13 omega   41.00   99.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -45.0000 -120.0000 58

#__ type_ start__ end____ width___ exp.time_
 14 omega   41.00  122.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -125.0000 -180.0000 81

#__ type_ start__ end____ width___ exp.time_
 15 omega   41.00  122.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -125.0000 -120.0000 81

#__ type_ start__ end____ width___ exp.time_
 16 omega   31.00  109.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -94.0000   60.0000 78

#__ type_ start__ end____ width___ exp.time_
 17 omega   41.00  122.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -125.0000  -30.0000 81

#__ type_ start__ end____ width___ exp.time_
 18 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000   90.0000 93

#__ type_ start__ end____ width___ exp.time_
 19 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000  -30.0000 97

#__ type_ start__ end____ width___ exp.time_
 20 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000  -60.0000 93

#__ type_ start__ end____ width___ exp.time_
 21 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000   30.0000 97

#__ type_ start__ end____ width___ exp.time_
 22 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000    0.0000 97

#__ type_ start__ end____ width___ exp.time_
 23 omega   86.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   57.0000  -73.6819 92

#__ type_ start__ end____ width___ exp.time_
 24 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000 -120.0000 97

#__ type_ start__ end____ width___ exp.time_
 25 omega   43.00  137.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -61.0000  150.0000 94

#__ type_ start__ end____ width___ exp.time_
 26 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000  120.0000 97

#__ type_ start__ end____ width___ exp.time_
 27 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000 -180.0000 93

#__ type_ start__ end____ width___ exp.time_
 28 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000  120.0000 93

#__ type_ start__ end____ width___ exp.time_
 29 omega   31.00  109.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -94.0000    0.0000 78

#__ type_ start__ end____ width___ exp.time_
 30 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000   60.0000 97

#__ type_ start__ end____ width___ exp.time_
 31 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000 -180.0000 97

#__ type_ start__ end____ width___ exp.time_
 32 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000   60.0000 93

#__ type_ start__ end____ width___ exp.time_
 33 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000   90.0000 97

#__ type_ start__ end____ width___ exp.time_
 34 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000 -120.0000 93

#__ type_ start__ end____ width___ exp.time_
 35 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000   30.0000 93

#__ type_ start__ end____ width___ exp.time_
 36 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000 -150.0000 93

#__ type_ start__ end____ width___ exp.time_
 37 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000  -90.0000 97

#__ type_ start__ end____ width___ exp.time_
 38 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000  -30.0000 93

#__ type_ start__ end____ width___ exp.time_
 39 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000 -150.0000 97

#__ type_ start__ end____ width___ exp.time_
 40 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000    0.0000 93

#__ type_ start__ end____ width___ exp.time_
 41 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000  150.0000 93

#__ type_ start__ end____ width___ exp.time_
 42 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000  150.0000 97

#__ type_ start__ end____ width___ exp.time_
 43 omega   85.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   61.0000  -90.0000 93

#__ type_ start__ end____ width___ exp.time_
 44 omega   81.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   77.0000  -60.0000 97

#__ type_ start__ end____ width___ exp.time_
 45 omega   83.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   69.0000   89.3485 95

#__ type_ start__ end____ width___ exp.time_
 46 omega   84.00  178.00   1.0000    4.5000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   65.0000 -175.5919 94

#__ type_ start__ end____ width___ exp.time_
 47 omega -110.00  -18.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -38.0000 -180.0000 92

#__ type_ start__ end____ width___ exp.time_
 48 omega -116.00   -5.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -19.0000   30.0000 111

#__ type_ start__ end____ width___ exp.time_
 49 omega   13.00  115.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   77.0000  120.0000 102

#__ type_ start__ end____ width___ exp.time_
 50 omega   18.00  112.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   57.0000  -90.0000 94

#__ type_ start__ end____ width___ exp.time_
 51 omega   13.00  115.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   77.0000  -30.0000 102

#__ type_ start__ end____ width___ exp.time_
 52 omega  -42.00  129.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988    0.0000 -180.0000 171

#__ type_ start__ end____ width___ exp.time_
 53 omega  -42.00  129.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988    0.0000 -120.0000 171

#__ type_ start__ end____ width___ exp.time_
 54 omega  -42.00  129.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988    0.0000 -150.0000 171

#__ type_ start__ end____ width___ exp.time_
 55 omega  -42.00  129.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988    0.0000  -90.0000 171

#__ type_ start__ end____ width___ exp.time_
 56 omega  -42.00  129.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988    0.0000  -60.0000 171

#__ type_ start__ end____ width___ exp.time_
 57 omega  -42.00  129.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988    0.0000  -30.0000 171

#__ type_ start__ end____ width___ exp.time_
 58 omega  -42.00   62.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988    0.0000    0.0000 104

#__ type_ start__ end____ width___ exp.time_
 59 omega   18.00  112.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       43.1988   57.0000 -120.0000 94
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0663065000
_diffrn_orient_matrix_UB_12      -0.0129674000
_diffrn_orient_matrix_UB_13      -0.0046194000
_diffrn_orient_matrix_UB_21      -0.0090641000
_diffrn_orient_matrix_UB_22      -0.0027648000
_diffrn_orient_matrix_UB_23      -0.0469230000
_diffrn_orient_matrix_UB_31      0.0531140000
_diffrn_orient_matrix_UB_32      0.0844321000
_diffrn_orient_matrix_UB_33      -0.0022693000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0070
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            147651
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.892
_diffrn_reflns_theta_min         2.800
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.317
_exptl_absorpt_correction_T_max  0.893
_exptl_absorpt_correction_T_min  0.845
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_description       fragment
_exptl_crystal_F_000             5784
_exptl_crystal_size_max          0.2066
_exptl_crystal_size_mid          0.1432
_exptl_crystal_size_min          0.1398
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.237
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         5344
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0637P)²+20.1703P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1011
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5318
_reflns_number_total             5344
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04293g2.cif
_cod_data_source_block           toma25_9
_cod_depositor_comments
'Adding full bibliography for 7041624--7041640.cif.'
_cod_original_cell_volume        12246.66(12)
_cod_database_code               7041629
_chemical_oxdiff_formula         'C42 H30 F16 Si4'
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.3333 0.6667 0.26990(3) 0.01880(19) Uani 1 3 d S T P . .
Si2 Si 0.47914(3) 0.62851(3) 0.31276(2) 0.02425(14) Uani 1 1 d . . . . .
F1 F 0.3333 0.6667 0.31885(6) 0.0251(4) Uani 1 3 d S T P . .
F2 F 0.34645(9) 0.51391(9) 0.37066(4) 0.0395(3) Uani 1 1 d . . . . .
F3 F 0.23970(10) 0.37618(9) 0.35386(6) 0.0498(4) Uani 1 1 d . . . . .
F4 F 0.23238(10) 0.31607(9) 0.27835(6) 0.0496(4) Uani 1 1 d . . . . .
F5 F 0.33629(10) 0.39588(9) 0.22077(5) 0.0433(4) Uani 1 1 d . . . . .
F6 F 0.44226(9) 0.53429(8) 0.23699(4) 0.0363(3) Uani 1 1 d . . . . .
C1 C 0.43062(13) 0.70209(12) 0.25071(6) 0.0247(4) Uani 1 1 d . . . . .
C2 C 0.48579(13) 0.68732(12) 0.26670(7) 0.0256(4) Uani 1 1 d . . . . .
C3 C 0.55367(13) 0.71635(14) 0.24500(7) 0.0299(5) Uani 1 1 d . . . . .
H3 H 0.5903 0.7074 0.2549 0.036 Uiso 1 1 calc R U . . .
C4 C 0.56710(14) 0.75748(14) 0.20969(7) 0.0321(5) Uani 1 1 d . . . . .
H4 H 0.6125 0.7760 0.1964 0.039 Uiso 1 1 calc R U . . .
C5 C 0.51396(14) 0.77137(13) 0.19395(7) 0.0283(5) Uani 1 1 d . . . . .
H5 H 0.5226 0.7981 0.1698 0.034 Uiso 1 1 calc R U . . .
C6 C 0.44695(13) 0.74465(12) 0.21482(6) 0.0246(4) Uani 1 1 d . . . . .
H6 H 0.4117 0.7554 0.2046 0.030 Uiso 1 1 calc R U . . .
C7 C 0.47206(15) 0.66778(15) 0.36251(7) 0.0346(5) Uani 1 1 d . . . . .
H7A H 0.5132 0.7173 0.3654 0.052 Uiso 1 1 calc R U . . .
H7B H 0.4729 0.6375 0.3845 0.052 Uiso 1 1 calc R U . . .
H7C H 0.4265 0.6688 0.3634 0.052 Uiso 1 1 calc R U . . .
C8 C 0.56196(15) 0.61576(16) 0.31374(8) 0.0367(6) Uani 1 1 d . . . . .
H8A H 0.5617 0.5888 0.2898 0.055 Uiso 1 1 calc R U . . .
H8B H 0.5602 0.5885 0.3378 0.055 Uiso 1 1 calc R U . . .
H8C H 0.6064 0.6634 0.3141 0.055 Uiso 1 1 calc R U . . .
C9 C 0.39842(13) 0.53138(13) 0.30405(7) 0.0290(5) Uani 1 1 d . . . . .
C10 C 0.34521(15) 0.48768(14) 0.33290(8) 0.0325(5) Uani 1 1 d . . . . .
C11 C 0.28931(15) 0.41573(14) 0.32483(8) 0.0357(5) Uani 1 1 d . . . . .
C12 C 0.28564(15) 0.38505(14) 0.28710(9) 0.0368(6) Uani 1 1 d . . . . .
C13 C 0.33902(15) 0.42582(14) 0.25740(8) 0.0329(5) Uani 1 1 d . . . . .
C14 C 0.39268(14) 0.49698(14) 0.26664(7) 0.0305(5) Uani 1 1 d . . . . .
Si3 Si 0.3333 0.6667 0.56585(3) 0.0277(2) Uani 1 3 d S T P . .
Si4 Si 0.52280(9) 0.71562(9) 0.52546(4) 0.0269(3) Uani 0.848(3) 1 d . . P A 1
Si4B Si 0.5098(6) 0.7107(7) 0.5177(3) 0.0269(3) Uani 0.152(3) 1 d . . P A 2
F7 F 0.3333 0.6667 0.51695(7) 0.0509(7) Uani 1 3 d S T P . .
C15 C 0.42709(13) 0.74080(13) 0.58438(6) 0.0253(4) Uani 1 1 d . . . . .
C16 C 0.49842(14) 0.75831(13) 0.56927(7) 0.0273(5) Uani 1 1 d . . . . .
C17 C 0.56081(14) 0.81419(14) 0.58962(8) 0.0318(5) Uani 1 1 d . . . . .
H17 H 0.6076 0.8268 0.5798 0.038 Uiso 1 1 calc R U . . .
C18 C 0.55604(14) 0.85166(13) 0.62368(8) 0.0320(5) Uani 1 1 d . . . . .
H18 H 0.5988 0.8880 0.6364 0.038 Uiso 1 1 calc R U . . .
C19 C 0.48694(14) 0.83421(13) 0.63835(7) 0.0286(5) Uani 1 1 d . . . . .
H19 H 0.4827 0.8586 0.6612 0.034 Uiso 1 1 calc R U . . .
C20 C 0.42373(13) 0.77993(13) 0.61871(7) 0.0270(5) Uani 1 1 d . . . . .
H20 H 0.3775 0.7691 0.6286 0.032 Uiso 1 1 calc R U . . .
F8 F 0.41175(14) 0.56300(15) 0.47726(8) 0.0539(6) Uani 0.848(3) 1 d . . P A 1
F9 F 0.37210(14) 0.42360(14) 0.49840(10) 0.0669(8) Uani 0.848(3) 1 d . . P A 1
F10 F 0.42745(15) 0.39640(12) 0.56700(10) 0.0664(8) Uani 0.848(3) 1 d . . P A 1
F11 F 0.52137(18) 0.51156(15) 0.61632(7) 0.0612(7) Uani 0.848(3) 1 d . . P A 1
F12 F 0.55565(15) 0.64977(14) 0.59792(9) 0.0454(6) Uani 0.848(3) 1 d . . P A 1
C21 C 0.4936(4) 0.7310(6) 0.4742(2) 0.0508(15) Uani 0.848(3) 1 d . . P A 1
H21A H 0.4408 0.7107 0.4739 0.076 Uiso 0.848(3) 1 calc R U P A 1
H21B H 0.5072 0.7070 0.4536 0.076 Uiso 0.848(3) 1 calc R U P A 1
H21C H 0.5178 0.7832 0.4687 0.076 Uiso 0.848(3) 1 calc R U P A 1
C22 C 0.6258(2) 0.7536(3) 0.52279(15) 0.0408(10) Uani 0.848(3) 1 d . . P A 1
H22A H 0.6506 0.8063 0.5190 0.061 Uiso 0.848(3) 1 calc R U P A 1
H22B H 0.6370 0.7312 0.5002 0.061 Uiso 0.848(3) 1 calc R U P A 1
H22C H 0.6425 0.7425 0.5478 0.061 Uiso 0.848(3) 1 calc R U P A 1
C23 C 0.48427(13) 0.61082(9) 0.53725(7) 0.0295(7) Uani 0.848(3) 1 d G . P A 1
C24 C 0.43690(12) 0.55266(12) 0.51184(6) 0.0362(7) Uani 0.848(3) 1 d G . P A 1
C25 C 0.41756(12) 0.48025(10) 0.52176(8) 0.0420(9) Uani 0.848(3) 1 d G . P A 1
C26 C 0.44559(14) 0.46599(9) 0.55710(8) 0.0444(9) Uani 0.848(3) 1 d G . P A 1
C27 C 0.49297(14) 0.52415(12) 0.58251(6) 0.0414(8) Uani 0.848(3) 1 d G . P A 1
C28 C 0.51231(13) 0.59656(10) 0.57259(6) 0.0340(7) Uani 0.848(3) 1 d G . P A 1
F8B F 0.4160(9) 0.5877(9) 0.4623(5) 0.0539(6) Uani 0.152(3) 1 d . . P A 2
F9B F 0.3633(8) 0.4397(8) 0.4719(6) 0.0669(8) Uani 0.152(3) 1 d . . P A 2
F10B F 0.3940(9) 0.3871(7) 0.5388(6) 0.0664(8) Uani 0.152(3) 1 d . . P A 2
F11B F 0.4848(11) 0.4862(9) 0.6009(5) 0.0612(7) Uani 0.152(3) 1 d . . P A 2
F12B F 0.5307(10) 0.6280(11) 0.5944(7) 0.0454(6) Uani 0.152(3) 1 d . . P A 2
C21B C 0.472(3) 0.723(4) 0.4715(16) 0.0508(15) Uani 0.152(3) 1 d . . P A 2
H21D H 0.4214 0.7092 0.4756 0.076 Uiso 0.152(3) 1 calc R U P A 2
H21E H 0.4757 0.6929 0.4503 0.076 Uiso 0.152(3) 1 calc R U P A 2
H21F H 0.5000 0.7744 0.4634 0.076 Uiso 0.152(3) 1 calc R U P A 2
C22B C 0.6052(15) 0.748(2) 0.5153(11) 0.0408(10) Uani 0.152(3) 1 d . . P A 2
H22D H 0.6293 0.7959 0.5283 0.061 Uiso 0.152(3) 1 calc R U P A 2
H22E H 0.6205 0.7535 0.4872 0.061 Uiso 0.152(3) 1 calc R U P A 2
H22F H 0.6187 0.7159 0.5291 0.061 Uiso 0.152(3) 1 calc R U P A 2
C23B C 0.4754(9) 0.6142(5) 0.5283(5) 0.0295(7) Uani 0.152(3) 1 d G . P A 2
C24B C 0.4335(9) 0.5667(8) 0.4968(4) 0.0362(7) Uani 0.152(3) 1 d G . P A 2
C25B C 0.4064(8) 0.4909(7) 0.5003(5) 0.0420(9) Uani 0.152(3) 1 d G . P A 2
C26B C 0.4213(9) 0.4626(6) 0.5354(6) 0.0444(9) Uani 0.152(3) 1 d G . P A 2
C27B C 0.4632(10) 0.5101(9) 0.5668(4) 0.0414(8) Uani 0.152(3) 1 d G . P A 2
C28B C 0.4902(9) 0.5859(8) 0.5633(5) 0.0340(7) Uani 0.152(3) 1 d G . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 0 -1 0.0677 0.0010 -0.0011 -1.0008 0.0047 0.0470 0.0022
1 2 5 0.0643 1.0056 1.9982 5.0027 0.0177 -0.2494 0.2108
0 -2 5 0.0492 -0.0124 -1.9905 5.0069 0.0019 -0.2293 -0.1801
-1 -5 3 0.0660 -1.0247 -4.9834 3.0080 -0.0172 -0.1181 -0.4820
5 -2 -1 0.0894 5.0094 -2.0159 -0.9906 0.3629 0.0067 0.0981
-5 2 1 0.0894 -5.0094 2.0159 0.9906 -0.3629 -0.0067 -0.0981
3 -5 0 0.0870 2.9909 -5.0017 0.0115 0.2631 -0.0138 -0.2635
-3 5 0 0.0870 -2.9909 5.0017 -0.0115 -0.2631 0.0138 0.2635
-4 -5 1 0.0716 -4.0322 -4.9745 1.0020 -0.2075 0.0033 -0.6365
4 5 -1 0.0716 4.0322 4.9745 -1.0020 0.2075 -0.0033 0.6365
-1 3 5 0.0682 -0.9970 3.0037 4.9983 -0.1281 -0.2338 0.1893
2 0 5 0.0498 2.0013 -0.0017 5.0070 0.1096 -0.2531 0.0948
2 -3 5 0.0425 1.9902 -2.9960 5.0112 0.1477 -0.2449 -0.1586
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
F1 Si1 C1 109.43(7) . 2_665
F1 Si1 C1 109.43(7) . 3_565
F1 Si1 C1 109.43(7) . .
C1 Si1 C1 109.51(7) 2_665 3_565
C1 Si1 C1 109.51(7) 2_665 .
C1 Si1 C1 109.51(7) 3_565 .
C7 Si2 C2 113.88(11) . .
C7 Si2 C8 109.21(12) . .
C7 Si2 C9 112.18(12) . .
C8 Si2 C2 109.24(11) . .
C8 Si2 C9 103.85(12) . .
C9 Si2 C2 107.98(10) . .
C2 C1 Si1 128.14(17) . .
C6 C1 Si1 113.47(17) . .
C6 C1 C2 118.3(2) . .
C1 C2 Si2 128.37(17) . .
C3 C2 Si2 113.97(17) . .
C3 C2 C1 117.6(2) . .
C2 C3 H3 118.9 . .
C4 C3 C2 122.1(2) . .
C4 C3 H3 118.9 . .
C3 C4 H4 119.7 . .
C5 C4 C3 120.6(2) . .
C5 C4 H4 119.7 . .
C4 C5 H5 120.6 . .
C4 C5 C6 118.9(2) . .
C6 C5 H5 120.6 . .
C1 C6 H6 118.7 . .
C5 C6 C1 122.5(2) . .
C5 C6 H6 118.7 . .
Si2 C7 H7A 109.5 . .
Si2 C7 H7B 109.5 . .
Si2 C7 H7C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si2 C8 H8A 109.5 . .
Si2 C8 H8B 109.5 . .
Si2 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 Si2 125.98(19) . .
C14 C9 Si2 118.88(18) . .
C14 C9 C10 115.0(2) . .
F2 C10 C9 120.6(2) . .
F2 C10 C11 116.6(2) . .
C11 C10 C9 122.8(2) . .
F3 C11 C10 120.2(2) . .
F3 C11 C12 120.2(2) . .
C12 C11 C10 119.6(2) . .
F4 C12 C11 121.1(3) . .
F4 C12 C13 119.1(3) . .
C11 C12 C13 119.9(2) . .
F5 C13 C12 120.1(2) . .
F5 C13 C14 121.5(2) . .
C14 C13 C12 118.3(2) . .
F6 C14 C9 119.5(2) . .
F6 C14 C13 116.2(2) . .
C13 C14 C9 124.3(2) . .
F7 Si3 C15 108.75(7) . 2_665
F7 Si3 C15 108.75(7) . .
F7 Si3 C15 108.75(7) . 3_565
C15 Si3 C15 110.18(6) 2_665 .
C15 Si3 C15 110.18(6) 2_665 3_565
C15 Si3 C15 110.18(6) . 3_565
C16 Si4 C23 108.72(12) . .
C21 Si4 C16 114.4(3) . .
C21 Si4 C22 106.7(3) . .
C21 Si4 C23 112.5(3) . .
C22 Si4 C16 110.91(18) . .
C22 Si4 C23 102.93(19) . .
C21B Si4B C16 117.9(19) . .
C21B Si4B C23B 112(2) . .
C22B Si4B C16 101.8(12) . .
C22B Si4B C21B 112(2) . .
C22B Si4B C23B 103.8(15) . .
C23B Si4B C16 108.0(8) . .
C16 C15 Si3 128.14(17) . .
C20 C15 Si3 113.52(17) . .
C20 C15 C16 118.3(2) . .
C15 C16 Si4 129.28(19) . .
C15 C16 Si4B 121.5(4) . .
C17 C16 Si4 113.24(18) . .
C17 C16 Si4B 120.8(4) . .
C17 C16 C15 117.5(2) . .
C16 C17 H17 118.4 . .
C18 C17 C16 123.2(2) . .
C18 C17 H17 118.4 . .
C17 C18 H18 120.4 . .
C19 C18 C17 119.1(2) . .
C19 C18 H18 120.4 . .
C18 C19 H19 120.3 . .
C18 C19 C20 119.5(2) . .
C20 C19 H19 120.3 . .
C15 C20 H20 118.8 . .
C19 C20 C15 122.5(2) . .
C19 C20 H20 118.8 . .
Si4 C21 H21A 109.5 . .
Si4 C21 H21B 109.5 . .
Si4 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
Si4 C22 H22A 109.5 . .
Si4 C22 H22B 109.5 . .
Si4 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 Si4 124.92(11) . .
C24 C23 C28 120.0 . .
C28 C23 Si4 114.90(11) . .
F8 C24 C23 122.71(19) . .
F8 C24 C25 117.21(19) . .
C23 C24 C25 120.0 . .
F9 C25 C24 121.5(2) . .
F9 C25 C26 118.5(2) . .
C24 C25 C26 120.0 . .
F10 C26 C25 120.6(2) . .
F10 C26 C27 119.4(2) . .
C25 C26 C27 120.0 . .
F11 C27 C26 120.81(19) . .
F11 C27 C28 119.18(19) . .
C28 C27 C26 120.0 . .
F12 C28 C23 121.81(19) . .
F12 C28 C27 118.17(19) . .
C27 C28 C23 120.0 . .
Si4B C21B H21D 109.5 . .
Si4B C21B H21E 109.5 . .
Si4B C21B H21F 109.5 . .
H21D C21B H21E 109.5 . .
H21D C21B H21F 109.5 . .
H21E C21B H21F 109.5 . .
Si4B C22B H22D 109.5 . .
Si4B C22B H22E 109.5 . .
Si4B C22B H22F 109.5 . .
H22D C22B H22E 109.5 . .
H22D C22B H22F 109.5 . .
H22E C22B H22F 109.5 . .
C24B C23B Si4B 114.3(10) . .
C24B C23B C28B 120.0 . .
C28B C23B Si4B 125.6(10) . .
F8B C24B C23B 124.9(12) . .
F8B C24B C25B 115.1(12) . .
C23B C24B C25B 120.0 . .
F9B C25B C24B 124.6(14) . .
F9B C25B C26B 115.4(14) . .
C24B C25B C26B 120.0 . .
F10B C26B C25B 119.8(14) . .
F10B C26B C27B 120.2(14) . .
C27B C26B C25B 120.0 . .
F11B C27B C26B 122.7(14) . .
F11B C27B C28B 117.1(14) . .
C28B C27B C26B 120.0 . .
F12B C28B C23B 123.4(15) . .
F12B C28B C27B 116.6(15) . .
C27B C28B C23B 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 F1 1.598(2) .
Si1 C1 1.882(2) 2_665
Si1 C1 1.882(2) 3_565
Si1 C1 1.882(2) .
Si2 C2 1.899(2) .
Si2 C7 1.857(3) .
Si2 C8 1.871(3) .
Si2 C9 1.896(3) .
F2 C10 1.343(3) .
F3 C11 1.339(3) .
F4 C12 1.334(3) .
F5 C13 1.337(3) .
F6 C14 1.343(3) .
C1 C2 1.428(3) .
C1 C6 1.404(3) .
C2 C3 1.418(3) .
C3 H3 0.9300 .
C3 C4 1.378(3) .
C4 H4 0.9300 .
C4 C5 1.375(4) .
C5 H5 0.9300 .
C5 C6 1.394(3) .
C6 H6 0.9300 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.390(3) .
C9 C14 1.390(3) .
C10 C11 1.387(4) .
C11 C12 1.372(4) .
C12 C13 1.397(4) .
C13 C14 1.370(4) .
Si3 F7 1.596(2) .
Si3 C15 1.883(2) 2_665
Si3 C15 1.883(2) .
Si3 C15 1.883(2) 3_565
Si4 C16 1.882(3) .
Si4 C21 1.861(7) .
Si4 C22 1.880(4) .
Si4 C23 1.949(2) .
Si4B C16 2.025(11) .
Si4B C21B 1.78(5) .
Si4B C22B 1.74(3) .
Si4B C23B 1.796(16) .
C15 C16 1.428(3) .
C15 C20 1.408(3) .
C16 C17 1.404(4) .
C17 H17 0.9300 .
C17 C18 1.390(4) .
C18 H18 0.9300 .
C18 C19 1.381(4) .
C19 H19 0.9300 .
C19 C20 1.390(4) .
C20 H20 0.9300 .
F8 C24 1.307(3) .
F9 C25 1.323(3) .
F10 C26 1.341(3) .
F11 C27 1.338(3) .
F12 C28 1.313(3) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.3900 .
C23 C28 1.3900 .
C24 C25 1.3900 .
C25 C26 1.3900 .
C26 C27 1.3900 .
C27 C28 1.3900 .
F8B C24B 1.322(18) .
F9B C25B 1.358(19) .
F10B C26B 1.384(16) .
F11B C27B 1.383(18) .
F12B C28B 1.33(2) .
C21B H21D 0.9600 .
C21B H21E 0.9600 .
C21B H21F 0.9600 .
C22B H22D 0.9600 .
C22B H22E 0.9600 .
C22B H22F 0.9600 .
C23B C24B 1.3900 .
C23B C28B 1.3900 .
C24B C25B 1.3900 .
C25B C26B 1.3900 .
C26B C27B 1.3900 .
C27B C28B 1.3900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
Si1 C1 C2 Si2 -1.0(3) .
Si1 C1 C2 C3 175.52(18) .
Si1 C1 C6 C5 -175.10(17) .
Si2 C2 C3 C4 177.0(2) .
Si2 C9 C10 F2 2.1(3) .
Si2 C9 C10 C11 -177.3(2) .
Si2 C9 C14 F6 -2.9(3) .
Si2 C9 C14 C13 176.78(19) .
F1 Si1 C1 C2 39.7(2) .
F1 Si1 C1 C6 -144.23(14) .
F2 C10 C11 F3 0.4(4) .
F2 C10 C11 C12 -178.8(2) .
F3 C11 C12 F4 0.9(4) .
F3 C11 C12 C13 -177.9(2) .
F4 C12 C13 F5 0.2(4) .
F4 C12 C13 C14 179.0(2) .
F5 C13 C14 F6 -0.5(3) .
F5 C13 C14 C9 179.8(2) .
C1 Si1 C1 C2 -80.3(3) 3_565
C1 Si1 C1 C2 159.61(19) 2_665
C1 Si1 C1 C6 95.82(13) 3_565
C1 Si1 C1 C6 -24.28(19) 2_665
C1 C2 C3 C4 0.0(4) .
C2 Si2 C9 C10 -136.0(2) .
C2 Si2 C9 C14 48.4(2) .
C2 C1 C6 C5 1.4(3) .
C2 C3 C4 C5 -0.6(4) .
C3 C4 C5 C6 1.5(4) .
C4 C5 C6 C1 -2.0(3) .
C6 C1 C2 Si2 -176.91(16) .
C6 C1 C2 C3 -0.4(3) .
C7 Si2 C2 C1 -67.4(2) .
C7 Si2 C2 C3 116.02(19) .
C7 Si2 C9 C10 -9.7(3) .
C7 Si2 C9 C14 174.71(18) .
C8 Si2 C2 C1 170.2(2) .
C8 Si2 C2 C3 -6.4(2) .
C8 Si2 C9 C10 108.1(2) .
C8 Si2 C9 C14 -67.5(2) .
C9 Si2 C2 C1 57.9(2) .
C9 Si2 C2 C3 -118.69(18) .
C9 C10 C11 F3 179.8(2) .
C9 C10 C11 C12 0.5(4) .
C10 C9 C14 F6 -179.0(2) .
C10 C9 C14 C13 0.7(4) .
C10 C11 C12 F4 -179.8(2) .
C10 C11 C12 C13 1.3(4) .
C11 C12 C13 F5 179.1(2) .
C11 C12 C13 C14 -2.1(4) .
C12 C13 C14 F6 -179.3(2) .
C12 C13 C14 C9 1.0(4) .
C14 C9 C10 F2 177.8(2) .
C14 C9 C10 C11 -1.5(4) .
Si3 C15 C16 Si4 1.7(3) .
Si3 C15 C16 Si4B 7.9(5) .
Si3 C15 C16 C17 -177.00(17) .
Si3 C15 C20 C19 176.58(18) .
Si4 C16 C17 C18 -177.9(2) .
Si4 C23 C24 F8 -1.7(2) .
Si4 C23 C24 C25 174.9(2) .
Si4 C23 C28 F12 6.4(2) .
Si4 C23 C28 C27 -175.35(18) .
Si4B C16 C17 C18 176.2(4) .
Si4B C23B C24B F8B -3.1(15) .
Si4B C23B C24B C25B 177.1(13) .
Si4B C23B C28B F12B 2.2(18) .
Si4B C23B C28B C27B -176.8(15) .
F7 Si3 C15 C16 -43.1(2) .
F7 Si3 C15 C20 140.28(14) .
C15 Si3 C15 C16 76.0(3) 3_565
C15 Si3 C15 C16 -162.20(18) 2_665
C15 Si3 C15 C20 -100.62(13) 3_565
C15 Si3 C15 C20 21.2(2) 2_665
C15 C16 C17 C18 1.1(4) .
C16 Si4B C23B C24B 138.6(7) .
C16 Si4B C23B C28B -44.5(12) .
C16 C15 C20 C19 -0.4(3) .
C16 C17 C18 C19 -0.7(4) .
C17 C18 C19 C20 -0.3(4) .
C18 C19 C20 C15 0.8(3) .
C20 C15 C16 Si4 178.22(18) .
C20 C15 C16 Si4B -175.6(4) .
C20 C15 C16 C17 -0.5(3) .
F8 C24 C25 F9 -3.8(3) .
F8 C24 C25 C26 176.8(2) .
F9 C25 C26 F10 0.6(3) .
F9 C25 C26 C27 -179.4(2) .
F10 C26 C27 F11 0.9(3) .
F10 C26 C27 C28 179.9(2) .
F11 C27 C28 F12 -2.7(3) .
F11 C27 C28 C23 179.0(2) .
C21 Si4 C16 Si4B 31(2) .
C21 Si4 C16 C15 65.3(4) .
C21 Si4 C16 C17 -115.9(3) .
C22 Si4 C16 Si4B 151(2) .
C22 Si4 C16 C15 -173.9(2) .
C22 Si4 C16 C17 4.9(3) .
C23 Si4 C16 Si4B -96(2) .
C23 Si4 C16 C15 -61.4(2) .
C23 Si4 C16 C17 117.34(17) .
C23 C24 C25 F9 179.4(2) .
C23 C24 C25 C26 0.0 .
C24 C23 C28 F12 -178.2(3) .
C24 C23 C28 C27 0.0 .
C24 C25 C26 F10 -179.9(2) .
C24 C25 C26 C27 0.0 .
C25 C26 C27 F11 -179.0(2) .
C25 C26 C27 C28 0.0 .
C26 C27 C28 F12 178.3(3) .
C26 C27 C28 C23 0.0 .
C28 C23 C24 F8 -176.6(2) .
C28 C23 C24 C25 0.0 .
F8B C24B C25B F9B -1.7(18) .
F8B C24B C25B C26B -179.8(16) .
F9B C25B C26B F10B 1.5(15) .
F9B C25B C26B C27B -178.2(14) .
F10B C26B C27B F11B 5.6(17) .
F10B C26B C27B C28B -179.8(15) .
F11B C27B C28B F12B -4.1(18) .
F11B C27B C28B C23B 174.9(15) .
C21B Si4B C23B C24B 7(2) .
C21B Si4B C23B C28B -175.6(19) .
C22B Si4B C23B C24B -113.9(14) .
C22B Si4B C23B C28B 63.1(17) .
C23B C24B C25B F9B 178.1(15) .
C23B C24B C25B C26B 0.0 .
C24B C23B C28B F12B 179.0(18) .
C24B C23B C28B C27B 0.0 .
C24B C25B C26B F10B 179.8(15) .
C24B C25B C26B C27B 0.0 .
C25B C26B C27B F11B -174.7(16) .
C25B C26B C27B C28B 0.0 .
C26B C27B C28B F12B -179.1(17) .
C26B C27B C28B C23B 0.0 .
C28B C23B C24B F8B 179.8(18) .
C28B C23B C24B C25B 0.0 .
