#------------------------------------------------------------------------------
#$Date: 2025-07-06 18:39:36 +0200 (Sun 06 de Jul de 2025) $
#$Revision: 300914 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/83/7718324.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_7718324
loop_
_publ_author_name
'Wentz, Kelsie E.'
'Molino, Andrew'
'Jiang, George Q.'
'Siegler, Maxime A.'
'Wilson, David J. D.'
'Thoi, V. Sara'
'Klausen, Rebekka S.'
_publ_section_title
;
 Synthesis and redox behavior of Si-Si dimeric 9-methylsilafluorene.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6167
_journal_page_last               6173
_journal_paper_doi               10.1039/d5dt00097a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C26 H22 Si2'
_chemical_formula_sum            'C26 H22 Si2'
_chemical_formula_weight         390.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-06-24 deposited with the CCDC.	2025-03-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.872(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.4395(8)
_cell_length_b                   14.6169(5)
_cell_length_c                   17.3824(7)
_cell_measurement_reflns_used    6031
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      70.0620
_cell_measurement_theta_min      5.1970
_cell_volume                     4316.7(3)
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'SHELXTL v6.10 (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL v6.10 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2019/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_av_unetI/netI     0.0475
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            33758
_diffrn_reflns_point_group_measured_fraction_full 0.794
_diffrn_reflns_point_group_measured_fraction_max 0.787
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         71.880
_diffrn_reflns_theta_min         3.989
_diffrn_source                   'Rotating-anode X-ray tube'
_exptl_absorpt_coefficient_mu    1.537
_exptl_absorpt_correction_T_max  0.982
_exptl_absorpt_correction_T_min  0.933
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.95a (Rigaku Oxford Diffraction, 2023)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_description       'small irregular plate'
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.058
_exptl_crystal_size_mid          0.052
_exptl_crystal_size_min          0.013
_refine_diff_density_max         0.259
_refine_diff_density_min         -0.219
_refine_diff_density_rms         0.035
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.47(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     852
_refine_ls_number_reflns         6670
_refine_ls_number_restraints     1996
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0425
_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/[σ²(Fo²)+(0.0585P)²+0.8913P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1005
_refine_ls_wR_factor_ref         0.1081
_reflns_Friedel_coverage         0.573
_reflns_Friedel_fraction_full    0.588
_reflns_Friedel_fraction_max     0.574
_reflns_number_gt                5529
_reflns_number_total             6670
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00097a3.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7718324.cif.'
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7718324
_shelx_shelxl_version_number     2019/3
_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.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.812
_oxdiff_exptl_absorpt_empirical_full_max 1.599
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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
C1A C 0.1821(3) 0.9853(3) 0.3784(3) 0.0337(10) Uani 0.7217(19) 1 d D U P A 1
C2A C 0.1003(4) 0.9800(3) 0.3421(4) 0.0455(13) Uani 0.7217(19) 1 d D U P A 1
H2A H 0.071852 0.954611 0.372303 0.055 Uiso 0.7217(19) 1 calc R U P A 1
C3A C 0.0600(6) 1.0125(5) 0.2602(5) 0.0526(19) Uani 0.7217(19) 1 d D U P A 1
H3A H 0.004215 1.009117 0.234878 0.063 Uiso 0.7217(19) 1 calc R U P A 1
C4A C 0.1019(6) 1.0494(6) 0.2168(7) 0.0496(16) Uani 0.7217(19) 1 d D U P A 1
H4A H 0.074216 1.071323 0.161622 0.059 Uiso 0.7217(19) 1 calc R U P A 1
C5A C 0.1835(6) 1.0551(5) 0.2520(6) 0.0397(14) Uani 0.7217(19) 1 d D U P A 1
H5A H 0.211256 1.080608 0.221120 0.048 Uiso 0.7217(19) 1 calc R U P A 1
C6A C 0.2242(4) 1.0230(3) 0.3329(4) 0.0339(11) Uani 0.7217(19) 1 d D U P A 1
C7A C 0.3100(4) 1.0238(3) 0.3765(4) 0.0321(11) Uani 0.7217(19) 1 d D U P A 1
C8A C 0.3648(5) 1.0552(4) 0.3452(6) 0.0414(13) Uani 0.7217(19) 1 d D U P A 1
H8A H 0.347142 1.078038 0.289746 0.050 Uiso 0.7217(19) 1 calc R U P A 1
C9A C 0.4450(5) 1.0532(5) 0.3945(6) 0.0496(14) Uani 0.7217(19) 1 d D U P A 1
H9A H 0.481517 1.074636 0.372259 0.060 Uiso 0.7217(19) 1 calc R U P A 1
C10A C 0.4719(5) 1.0209(4) 0.4743(5) 0.0498(17) Uani 0.7217(19) 1 d D U P A 1
H10A H 0.526742 1.020277 0.507490 0.060 Uiso 0.7217(19) 1 calc R U P A 1
C11A C 0.4198(4) 0.9893(3) 0.5066(4) 0.0467(14) Uani 0.7217(19) 1 d D U P A 1
H11A H 0.439094 0.966256 0.562023 0.056 Uiso 0.7217(19) 1 calc R U P A 1
C12A C 0.3389(4) 0.9902(3) 0.4599(4) 0.0365(11) Uani 0.7217(19) 1 d D U P A 1
C13A C 0.2404(9) 1.0276(6) 0.5695(7) 0.053(2) Uani 0.7217(19) 1 d D U P A 1
H13A H 0.239467 1.092451 0.554795 0.080 Uiso 0.7217(19) 1 calc R U P A 1
H13B H 0.284307 1.016418 0.622957 0.080 Uiso 0.7217(19) 1 calc R U P A 1
H13C H 0.190788 1.011360 0.574253 0.080 Uiso 0.7217(19) 1 calc R U P A 1
Si1 Si 0.25329(16) 0.95647(10) 0.48672(15) 0.0333(4) Uani 0.7217(19) 1 d D U P A
1
Si2 Si 0.25315(16) 0.80132(10) 0.51747(15) 0.0313(3) Uani 0.7217(19) 1 d D U P A
1
C1B C 0.1666(3) 0.7652(3) 0.5413(3) 0.0317(10) Uani 0.7217(19) 1 d D U P A 1
C2B C 0.0858(4) 0.7649(3) 0.4920(4) 0.0410(12) Uani 0.7217(19) 1 d D U P A 1
H2B H 0.067341 0.785757 0.435846 0.049 Uiso 0.7217(19) 1 calc R U P A 1
C3B C 0.0325(5) 0.7339(4) 0.5253(6) 0.0444(16) Uani 0.7217(19) 1 d D U P A 1
H3B H -0.022238 0.733589 0.491638 0.053 Uiso 0.7217(19) 1 calc R U P A 1
C4B C 0.0593(7) 0.7035(5) 0.6076(6) 0.0453(13) Uani 0.7217(19) 1 d D U P A 1
H4B H 0.022589 0.682582 0.629660 0.054 Uiso 0.7217(19) 1 calc R U P A 1
C5B C 0.1396(6) 0.7034(5) 0.6580(6) 0.0372(13) Uani 0.7217(19) 1 d D U P A 1
H5B H 0.157924 0.683153 0.714349 0.045 Uiso 0.7217(19) 1 calc R U P A 1
C6B C 0.1925(5) 0.7338(4) 0.6235(5) 0.0323(11) Uani 0.7217(19) 1 d D U P A 1
C7B C 0.2793(5) 0.7324(3) 0.6697(5) 0.0299(11) Uani 0.7217(19) 1 d D U P A 1
C8B C 0.3190(7) 0.6978(5) 0.7500(6) 0.0382(12) Uani 0.7217(19) 1 d D U P A 1
H8B H 0.290061 0.671882 0.779513 0.046 Uiso 0.7217(19) 1 calc R U P A 1
C9B C 0.4003(7) 0.7010(5) 0.7870(6) 0.0431(14) Uani 0.7217(19) 1 d D U P A 1
H9B H 0.427026 0.677327 0.841693 0.052 Uiso 0.7217(19) 1 calc R U P A 1
C10B C 0.4429(6) 0.7386(4) 0.7443(5) 0.0443(17) Uani 0.7217(19) 1 d D U P A 1
H10B H 0.498711 0.740436 0.769818 0.053 Uiso 0.7217(19) 1 calc R U P A 1
C11B C 0.4042(4) 0.7735(4) 0.6646(4) 0.0401(12) Uani 0.7217(19) 1 d D U P A 1
H11B H 0.433927 0.799779 0.636148 0.048 Uiso 0.7217(19) 1 calc R U P A 1
C12B C 0.3230(3) 0.7707(3) 0.6259(3) 0.0327(10) Uani 0.7217(19) 1 d D U P A 1
C13B C 0.2664(7) 0.7306(6) 0.4355(5) 0.0431(18) Uani 0.7217(19) 1 d D U P A 1
H13D H 0.285735 0.669880 0.458140 0.065 Uiso 0.7217(19) 1 calc R U P A 1
H13E H 0.304627 0.760047 0.417080 0.065 Uiso 0.7217(19) 1 calc R U P A 1
H13F H 0.215882 0.724449 0.387997 0.065 Uiso 0.7217(19) 1 calc R U P A 1
C1E C 0.1788(8) 0.9331(9) 0.3475(8) 0.040(2) Uani 0.2783(19) 1 d D U P A 2
C2E C 0.0972(8) 0.9283(10) 0.3107(9) 0.047(3) Uani 0.2783(19) 1 d D U P A 2
H2E H 0.070852 0.883028 0.329449 0.056 Uiso 0.2783(19) 1 calc R U P A 2
C3E C 0.0528(14) 0.9878(13) 0.2472(11) 0.048(3) Uani 0.2783(19) 1 d D U P A 2
H3E H -0.002940 0.982959 0.223213 0.057 Uiso 0.2783(19) 1 calc R U P A 2
C4E C 0.0904(16) 1.0538(16) 0.2196(16) 0.0496(16) Uani 0.2783(19) 1 d D U P A 2
H4E H 0.060576 1.094621 0.176387 0.059 Uiso 0.2783(19) 1 calc R U P A 2
C5E C 0.1722(15) 1.0605(16) 0.2549(13) 0.0397(14) Uani 0.2783(19) 1 d D U P A 2
H5E H 0.197662 1.106072 0.235456 0.048 Uiso 0.2783(19) 1 calc R U P A 2
C6E C 0.2172(9) 1.0011(10) 0.3188(10) 0.0339(11) Uani 0.2783(19) 1 d D U P A 2
C7E C 0.3030(9) 0.9998(9) 0.3593(9) 0.0321(11) Uani 0.2783(19) 1 d D U P A 2
C8E C 0.3499(12) 1.0591(12) 0.3362(13) 0.0414(13) Uani 0.2783(19) 1 d D U P A 2
H8E H 0.327523 1.099586 0.290226 0.050 Uiso 0.2783(19) 1 calc R U P A 2
C9E C 0.4286(13) 1.0574(14) 0.3812(12) 0.0496(14) Uani 0.2783(19) 1 d D U P A 2
H9E H 0.461536 1.097434 0.366222 0.060 Uiso 0.2783(19) 1 calc R U P A 2
C10E C 0.4625(11) 0.9989(12) 0.4485(12) 0.052(3) Uani 0.2783(19) 1 d D U P A 2
H10E H 0.517905 0.999597 0.478670 0.062 Uiso 0.2783(19) 1 calc R U P A 2
C11E C 0.4166(9) 0.9395(10) 0.4723(10) 0.047(3) Uani 0.2783(19) 1 d D U P A 2
H11E H 0.439673 0.899516 0.518466 0.056 Uiso 0.2783(19) 1 calc R U P A 2
C12E C 0.3363(8) 0.9401(9) 0.4270(8) 0.041(2) Uani 0.2783(19) 1 d D U P A 2
C13E C 0.259(2) 0.7433(14) 0.4107(15) 0.0431(18) Uani 0.2783(19) 1 d D U P A 2
H13G H 0.222646 0.709106 0.428665 0.065 Uiso 0.2783(19) 1 calc R U P A 2
H13H H 0.312715 0.720607 0.440651 0.065 Uiso 0.2783(19) 1 calc R U P A 2
H13I H 0.244029 0.735012 0.350505 0.065 Uiso 0.2783(19) 1 calc R U P A 2
Si1' Si 0.2547(3) 0.8668(3) 0.4339(3) 0.0381(11) Uani 0.2783(19) 1 d D U P A 2
Si2' Si 0.2400(3) 0.8869(3) 0.5593(3) 0.0373(11) Uani 0.2783(19) 1 d D U P A 2
C1F C 0.1605(8) 0.8115(9) 0.5665(8) 0.041(2) Uani 0.2783(19) 1 d D U P A 2
C2F C 0.0785(8) 0.8150(11) 0.5167(9) 0.048(3) Uani 0.2783(19) 1 d D U P A 2
H2F H 0.058585 0.857937 0.472390 0.058 Uiso 0.2783(19) 1 calc R U P A 2
C3F C 0.0276(13) 0.7550(13) 0.5332(14) 0.051(3) Uani 0.2783(19) 1 d D U P A 2
H3F H -0.027212 0.757150 0.499985 0.061 Uiso 0.2783(19) 1 calc R U P A 2
C4F C 0.0563(16) 0.6931(15) 0.5970(15) 0.0453(13) Uani 0.2783(19) 1 d D U P A 2
H4F H 0.021248 0.652396 0.607925 0.054 Uiso 0.2783(19) 1 calc R U P A 2
C5F C 0.1370(14) 0.6895(15) 0.6463(15) 0.0372(13) Uani 0.2783(19) 1 d D U P A 2
H5F H 0.156187 0.646341 0.690557 0.045 Uiso 0.2783(19) 1 calc R U P A 2
C6F C 0.1892(11) 0.7477(11) 0.6316(11) 0.0323(11) Uani 0.2783(19) 1 d D U P A 2
C7F C 0.2766(10) 0.7525(11) 0.6764(10) 0.0299(11) Uani 0.2783(19) 1 d D U P A 2
C8F C 0.3222(15) 0.6943(14) 0.7412(12) 0.0382(12) Uani 0.2783(19) 1 d D U P A 2
H8F H 0.296942 0.649553 0.761805 0.046 Uiso 0.2783(19) 1 calc R U P A 2
C9F C 0.4041(16) 0.7009(15) 0.7760(14) 0.0431(14) Uani 0.2783(19) 1 d D U P A 2
H9F H 0.434444 0.661018 0.819879 0.052 Uiso 0.2783(19) 1 calc R U P A 2
C10F C 0.4408(14) 0.7670(13) 0.7453(12) 0.044(3) Uani 0.2783(19) 1 d D U P A 2
H10F H 0.496574 0.772379 0.768447 0.053 Uiso 0.2783(19) 1 calc R U P A 2
C11F C 0.3967(9) 0.8236(11) 0.6823(9) 0.045(3) Uani 0.2783(19) 1 d D U P A 2
H11F H 0.422630 0.867969 0.662173 0.054 Uiso 0.2783(19) 1 calc R U P A 2
C12F C 0.3144(8) 0.8187(10) 0.6462(8) 0.039(2) Uani 0.2783(19) 1 d D U P A 2
C13F C 0.235(3) 1.0105(14) 0.583(2) 0.053(2) Uani 0.2783(19) 1 d D U P A 2
H13J H 0.194694 1.040527 0.534570 0.080 Uiso 0.2783(19) 1 calc R U P A 2
H13K H 0.286053 1.039122 0.594623 0.080 Uiso 0.2783(19) 1 calc R U P A 2
H13L H 0.220888 1.016730 0.631512 0.080 Uiso 0.2783(19) 1 calc R U P A 2
C1C C 0.3136(3) 0.3150(3) 0.6585(3) 0.0319(9) Uani 0.8469(19) 1 d D U P B 1
C2C C 0.3957(3) 0.3200(3) 0.6965(3) 0.0405(11) Uani 0.8469(19) 1 d D U P B 1
H2C H 0.422849 0.364662 0.678091 0.049 Uiso 0.8469(19) 1 calc R U P B 1
C3C C 0.4375(4) 0.2617(4) 0.7595(4) 0.0450(13) Uani 0.8469(19) 1 d D U P B 1
H3C H 0.493242 0.266072 0.784463 0.054 Uiso 0.8469(19) 1 calc R U P B 1
C4C C 0.3989(5) 0.1958(4) 0.7875(4) 0.0459(12) Uani 0.8469(19) 1 d D U P B 1
H4C H 0.428453 0.155724 0.831570 0.055 Uiso 0.8469(19) 1 calc R U P B 1
C5C C 0.3176(4) 0.1881(4) 0.7515(4) 0.0405(11) Uani 0.8469(19) 1 d D U P B 1
H5C H 0.291647 0.142811 0.770617 0.049 Uiso 0.8469(19) 1 calc R U P B 1
C6C C 0.2740(3) 0.2474(3) 0.6869(3) 0.0315(9) Uani 0.8469(19) 1 d D U P B 1
C7C C 0.1867(3) 0.2455(3) 0.6413(3) 0.0335(10) Uani 0.8469(19) 1 d D U P B 1
C8C C 0.1367(4) 0.1832(3) 0.6569(4) 0.0390(11) Uani 0.8469(19) 1 d D U P B 1
H8C H 0.157097 0.139980 0.700914 0.047 Uiso 0.8469(19) 1 calc R U P B 1
C9C C 0.0561(4) 0.1852(3) 0.6070(4) 0.0438(12) Uani 0.8469(19) 1 d D U P B 1
H9C H 0.021574 0.143153 0.617169 0.053 Uiso 0.8469(19) 1 calc R U P B 1
C10C C 0.0267(4) 0.2481(4) 0.5428(4) 0.0461(13) Uani 0.8469(19) 1 d D U P B 1
H10C H -0.028036 0.248731 0.509087 0.055 Uiso 0.8469(19) 1 calc R U P B 1
C11C C 0.0768(3) 0.3110(3) 0.5271(3) 0.0391(10) Uani 0.8469(19) 1 d D U P B 1
H11C H 0.055954 0.353764 0.482741 0.047 Uiso 0.8469(19) 1 calc R U P B 1
C12C C 0.1579(3) 0.3106(3) 0.5768(3) 0.0331(9) Uani 0.8469(19) 1 d D U P B 1
C13C C 0.2344(5) 0.5073(4) 0.5920(5) 0.0465(14) Uani 0.8469(19) 1 d D U P B 1
H13M H 0.190785 0.535017 0.545472 0.070 Uiso 0.8469(19) 1 calc R U P B 1
H13N H 0.283928 0.536749 0.597513 0.070 Uiso 0.8469(19) 1 calc R U P B 1
H13O H 0.225829 0.515522 0.643792 0.070 Uiso 0.8469(19) 1 calc R U P B 1
Si3 Si 0.23960(14) 0.38235(8) 0.57155(15) 0.0320(3) Uani 0.8469(19) 1 d D U P B
1
Si4 Si 0.25512(15) 0.36153(8) 0.44635(15) 0.0328(3) Uani 0.8469(19) 1 d D U P B
1
C1D C 0.3382(3) 0.4321(3) 0.4415(3) 0.0329(9) Uani 0.8469(19) 1 d D U P B 1
C2D C 0.4185(3) 0.4299(3) 0.4886(3) 0.0408(11) Uani 0.8469(19) 1 d D U P B 1
H2D H 0.439027 0.386353 0.532359 0.049 Uiso 0.8469(19) 1 calc R U P B 1
C3D C 0.4696(4) 0.4898(4) 0.4733(4) 0.0443(13) Uani 0.8469(19) 1 d D U P B 1
H3D H 0.524444 0.487798 0.506264 0.053 Uiso 0.8469(19) 1 calc R U P B 1
C4D C 0.4393(4) 0.5522(3) 0.4096(4) 0.0391(11) Uani 0.8469(19) 1 d D U P B 1
H4D H 0.473911 0.593144 0.398117 0.047 Uiso 0.8469(19) 1 calc R U P B 1
C5D C 0.3596(3) 0.5564(3) 0.3620(3) 0.0343(10) Uani 0.8469(19) 1 d D U P B 1
H5D H 0.339922 0.600414 0.318551 0.041 Uiso 0.8469(19) 1 calc R U P B 1
C6D C 0.3075(3) 0.4966(3) 0.3771(3) 0.0323(9) Uani 0.8469(19) 1 d D U P B 1
C7D C 0.2209(3) 0.4966(3) 0.3331(3) 0.0332(9) Uani 0.8469(19) 1 d D U P B 1
C8D C 0.1783(3) 0.5574(3) 0.2703(3) 0.0373(11) Uani 0.8469(19) 1 d D U P B 1
H8D H 0.205029 0.603229 0.252706 0.045 Uiso 0.8469(19) 1 calc R U P B 1
C9D C 0.0962(4) 0.5513(4) 0.2328(4) 0.0467(14) Uani 0.8469(19) 1 d D U P B 1
H9D H 0.067425 0.593233 0.190027 0.056 Uiso 0.8469(19) 1 calc R U P B 1
C10D C 0.0565(4) 0.4846(4) 0.2578(4) 0.0483(15) Uani 0.8469(19) 1 d D U P B 1
H10D H 0.000741 0.480176 0.232004 0.058 Uiso 0.8469(19) 1 calc R U P B 1
C11D C 0.0996(3) 0.4237(4) 0.3216(3) 0.0403(11) Uani 0.8469(19) 1 d D U P B 1
H11D H 0.072451 0.378435 0.339345 0.048 Uiso 0.8469(19) 1 calc R U P B 1
C12D C 0.1812(3) 0.4282(3) 0.3592(3) 0.0337(9) Uani 0.8469(19) 1 d D U P B 1
C13D C 0.2602(10) 0.2366(8) 0.4263(7) 0.0529(14) Uani 0.8469(19) 1 d D U P B 1
H13P H 0.266671 0.227964 0.373466 0.079 Uiso 0.8469(19) 1 calc R U P B 1
H13Q H 0.211463 0.206826 0.423149 0.079 Uiso 0.8469(19) 1 calc R U P B 1
H13R H 0.305055 0.209403 0.471906 0.079 Uiso 0.8469(19) 1 calc R U P B 1
C1G C 0.3184(11) 0.2682(13) 0.6143(11) 0.041(3) Uani 0.1531(19) 1 d D U P B 2
C2G C 0.3998(12) 0.2717(13) 0.6522(14) 0.048(4) Uani 0.1531(19) 1 d D U P B 2
H2G H 0.428950 0.294740 0.621845 0.058 Uiso 0.1531(19) 1 calc R U P B 2
C3G C 0.4383(17) 0.2428(16) 0.7316(15) 0.044(4) Uani 0.1531(19) 1 d D U P B 2
H3G H 0.494117 0.245909 0.756199 0.053 Uiso 0.1531(19) 1 calc R U P B 2
C4G C 0.397(2) 0.209(2) 0.778(2) 0.0459(12) Uani 0.1531(19) 1 d D U P B 2
H4G H 0.425290 0.188816 0.833524 0.055 Uiso 0.1531(19) 1 calc R U P B 2
C5G C 0.315(2) 0.204(2) 0.7423(17) 0.0405(11) Uani 0.1531(19) 1 d D U P B 2
H5G H 0.287212 0.180382 0.773599 0.049 Uiso 0.1531(19) 1 calc R U P B 2
C6G C 0.2755(12) 0.2335(15) 0.6607(13) 0.0315(9) Uani 0.1531(19) 1 d D U P B 2
C7G C 0.1881(12) 0.2334(13) 0.6159(13) 0.0335(10) Uani 0.1531(19) 1 d D U P B 2
C8G C 0.1356(17) 0.2047(15) 0.6513(19) 0.0390(11) Uani 0.1531(19) 1 d D U P B 2
H8G H 0.153730 0.186666 0.708188 0.047 Uiso 0.1531(19) 1 calc R U P B 2
C9G C 0.0544(19) 0.2036(17) 0.5993(19) 0.0438(12) Uani 0.1531(19) 1 d D U P B 2
H9G H 0.016868 0.184554 0.620966 0.053 Uiso 0.1531(19) 1 calc R U P B 2
C10G C 0.0303(16) 0.2302(16) 0.5172(18) 0.045(4) Uani 0.1531(19) 1 d D U P B 2
H10G H -0.024400 0.228909 0.483197 0.054 Uiso 0.1531(19) 1 calc R U P B 2
C11G C 0.0825(12) 0.2589(15) 0.4813(16) 0.049(4) Uani 0.1531(19) 1 d D U P B 2
H11G H 0.063697 0.276839 0.424362 0.058 Uiso 0.1531(19) 1 calc R U P B 2
C12G C 0.1635(11) 0.2607(13) 0.5318(12) 0.042(3) Uani 0.1531(19) 1 d D U P B 2
C13G C 0.261(5) 0.236(4) 0.420(3) 0.0529(14) Uani 0.1531(19) 1 d D U P B 2
H13S H 0.297799 0.184717 0.442192 0.079 Uiso 0.1531(19) 1 calc R U P B 2
H13T H 0.282085 0.277156 0.388830 0.079 Uiso 0.1531(19) 1 calc R U P B 2
H13U H 0.210021 0.211971 0.381706 0.079 Uiso 0.1531(19) 1 calc R U P B 2
Si3' Si 0.2489(6) 0.2999(6) 0.5079(6) 0.0467(19) Uani 0.1531(19) 1 d D U P B 2
Si4' Si 0.2469(7) 0.4550(6) 0.4776(6) 0.050(2) Uani 0.1531(19) 1 d D U P B 2
C1H C 0.3336(11) 0.4833(14) 0.4505(13) 0.041(3) Uani 0.1531(19) 1 d D U P B 2
C2H C 0.4147(13) 0.4831(14) 0.4978(15) 0.050(4) Uani 0.1531(19) 1 d D U P B 2
H2H H 0.436808 0.459822 0.553187 0.060 Uiso 0.1531(19) 1 calc R U P B 2
C3H C 0.4609(17) 0.5196(16) 0.4576(17) 0.044(4) Uani 0.1531(19) 1 d D U P B 2
H3H H 0.516233 0.520527 0.488059 0.053 Uiso 0.1531(19) 1 calc R U P B 2
C4H C 0.4330(16) 0.5542(17) 0.3782(16) 0.0391(11) Uani 0.1531(19) 1 d D U P B 2
H4H H 0.468996 0.577635 0.356079 0.047 Uiso 0.1531(19) 1 calc R U P B 2
C5H C 0.3536(14) 0.5555(17) 0.3300(15) 0.0343(10) Uani 0.1531(19) 1 d D U P B 2
H5H H 0.332417 0.579018 0.274698 0.041 Uiso 0.1531(19) 1 calc R U P B 2
C6H C 0.3061(13) 0.5186(15) 0.3699(14) 0.0323(9) Uani 0.1531(19) 1 d D U P B 2
C7H C 0.2183(13) 0.5151(15) 0.3232(13) 0.0332(9) Uani 0.1531(19) 1 d D U P B 2
C8H C 0.1811(17) 0.5536(16) 0.2447(14) 0.0373(11) Uani 0.1531(19) 1 d D U P B 2
H8H H 0.210088 0.581253 0.216070 0.045 Uiso 0.1531(19) 1 calc R U P B 2
C9H C 0.0986(18) 0.5497(19) 0.2095(18) 0.0467(14) Uani 0.1531(19) 1 d D U P B 2
H9H H 0.070848 0.575323 0.155809 0.056 Uiso 0.1531(19) 1 calc R U P B 2
C10H C 0.058(2) 0.510(2) 0.2513(18) 0.048(4) Uani 0.1531(19) 1 d D U P B 2
H10H H 0.001683 0.508474 0.225383 0.057 Uiso 0.1531(19) 1 calc R U P B 2
C11H C 0.0946(13) 0.4700(18) 0.3315(15) 0.043(4) Uani 0.1531(19) 1 d D U P B 2
H11H H 0.065235 0.442413 0.359751 0.052 Uiso 0.1531(19) 1 calc R U P B 2
C12H C 0.1769(12) 0.4738(16) 0.3669(11) 0.044(4) Uani 0.1531(19) 1 d D U P B 2
C13H C 0.238(2) 0.5312(18) 0.5599(19) 0.0465(14) Uani 0.1531(19) 1 d D U P B 2
H13V H 0.277657 0.513505 0.614508 0.070 Uiso 0.1531(19) 1 calc R U P B 2
H13W H 0.185490 0.525230 0.560267 0.070 Uiso 0.1531(19) 1 calc R U P B 2
H13$ H 0.247133 0.594797 0.547949 0.070 Uiso 0.1531(19) 1 calc R U P B 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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C2A C1A C6A 120.0(5) . . ?
C2A C1A Si1 130.8(4) . . ?
C6A C1A Si1 109.0(4) . . ?
C1A C2A C3A 119.5(7) . . ?
C1A C2A H2A 120.3 . . ?
C3A C2A H2A 120.3 . . ?
C4A C3A C2A 119.8(9) . . ?
C4A C3A H3A 120.1 . . ?
C2A C3A H3A 120.1 . . ?
C3A C4A C5A 121.5(9) . . ?
C3A C4A H4A 119.2 . . ?
C5A C4A H4A 119.2 . . ?
C4A C5A C6A 119.4(8) . . ?
C4A C5A H5A 120.3 . . ?
C6A C5A H5A 120.3 . . ?
C5A C6A C1A 119.8(7) . . ?
C5A C6A C7A 124.7(6) . . ?
C1A C6A C7A 115.5(6) . . ?
C8A C7A C12A 117.9(6) . . ?
C8A C7A C6A 126.9(6) . . ?
C12A C7A C6A 115.2(5) . . ?
C9A C8A C7A 120.6(8) . . ?
C9A C8A H8A 119.7 . . ?
C7A C8A H8A 119.7 . . ?
C10A C9A C8A 120.8(8) . . ?
C10A C9A H9A 119.6 . . ?
C8A C9A H9A 119.6 . . ?
C9A C10A C11A 119.9(7) . . ?
C9A C10A H10A 120.0 . . ?
C11A C10A H10A 120.0 . . ?
C10A C11A C12A 121.4(6) . . ?
C10A C11A H11A 119.3 . . ?
C12A C11A H11A 119.3 . . ?
C11A C12A C7A 119.3(6) . . ?
C11A C12A Si1 131.7(5) . . ?
C7A C12A Si1 109.0(4) . . ?
Si1 C13A H13A 109.5 . . ?
Si1 C13A H13B 109.5 . . ?
H13A C13A H13B 109.5 . . ?
Si1 C13A H13C 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
C13A Si1 C1A 113.6(5) . . ?
C13A Si1 C12A 114.6(4) . . ?
C1A Si1 C12A 91.1(3) . . ?
C13A Si1 Si2 110.7(2) . . ?
C1A Si1 Si2 112.68(16) . . ?
C12A Si1 Si2 112.86(16) . . ?
C13B Si2 C1B 113.1(4) . . ?
C13B Si2 C12B 113.2(3) . . ?
C1B Si2 C12B 91.2(2) . . ?
C13B Si2 Si1 110.8(2) . . ?
C1B Si2 Si1 113.68(15) . . ?
C12B Si2 Si1 113.65(16) . . ?
C6B C1B C2B 119.0(5) . . ?
C6B C1B Si2 109.7(5) . . ?
C2B C1B Si2 131.3(4) . . ?
C3B C2B C1B 120.0(6) . . ?
C3B C2B H2B 120.0 . . ?
C1B C2B H2B 120.0 . . ?
C4B C3B C2B 120.2(8) . . ?
C4B C3B H3B 119.9 . . ?
C2B C3B H3B 119.9 . . ?
C3B C4B C5B 120.8(8) . . ?
C3B C4B H4B 119.6 . . ?
C5B C4B H4B 119.6 . . ?
C4B C5B C6B 118.3(8) . . ?
C4B C5B H5B 120.9 . . ?
C6B C5B H5B 120.9 . . ?
C1B C6B C5B 121.7(7) . . ?
C1B C6B C7B 115.1(6) . . ?
C5B C6B C7B 123.1(7) . . ?
C8B C7B C12B 119.5(7) . . ?
C8B C7B C6B 125.5(7) . . ?
C12B C7B C6B 114.9(6) . . ?
C9B C8B C7B 120.3(8) . . ?
C9B C8B H8B 119.9 . . ?
C7B C8B H8B 119.9 . . ?
C8B C9B C10B 120.2(8) . . ?
C8B C9B H9B 119.9 . . ?
C10B C9B H9B 119.9 . . ?
C9B C10B C11B 120.2(8) . . ?
C9B C10B H10B 119.9 . . ?
C11B C10B H10B 119.9 . . ?
C12B C11B C10B 120.9(6) . . ?
C12B C11B H11B 119.5 . . ?
C10B C11B H11B 119.5 . . ?
C11B C12B C7B 118.9(5) . . ?
C11B C12B Si2 132.2(4) . . ?
C7B C12B Si2 108.7(4) . . ?
Si2 C13B H13D 109.5 . . ?
Si2 C13B H13E 109.5 . . ?
H13D C13B H13E 109.5 . . ?
Si2 C13B H13F 109.5 . . ?
H13D C13B H13F 109.5 . . ?
H13E C13B H13F 109.5 . . ?
C2E C1E C6E 118.3(13) . . ?
C2E C1E Si1' 132.8(11) . . ?
C6E C1E Si1' 108.9(10) . . ?
C1E C2E C3E 122.0(16) . . ?
C1E C2E H2E 119.0 . . ?
C3E C2E H2E 119.0 . . ?
C4E C3E C2E 119.5(19) . . ?
C4E C3E H3E 120.3 . . ?
C2E C3E H3E 120.3 . . ?
C3E C4E C5E 120(2) . . ?
C3E C4E H4E 120.0 . . ?
C5E C4E H4E 120.0 . . ?
C4E C5E C6E 121(2) . . ?
C4E C5E H5E 119.6 . . ?
C6E C5E H5E 119.6 . . ?
C5E C6E C1E 119.3(16) . . ?
C5E C6E C7E 126.0(16) . . ?
C1E C6E C7E 114.6(13) . . ?
C8E C7E C12E 120.8(14) . . ?
C8E C7E C6E 122.1(14) . . ?
C12E C7E C6E 116.9(13) . . ?
C9E C8E C7E 117.9(18) . . ?
C9E C8E H8E 121.0 . . ?
C7E C8E H8E 121.0 . . ?
C8E C9E C10E 122.0(19) . . ?
C8E C9E H9E 119.0 . . ?
C10E C9E H9E 119.0 . . ?
C11E C10E C9E 120.8(18) . . ?
C11E C10E H10E 119.6 . . ?
C9E C10E H10E 119.6 . . ?
C12E C11E C10E 118.1(15) . . ?
C12E C11E H11E 120.9 . . ?
C10E C11E H11E 120.9 . . ?
C11E C12E C7E 120.3(13) . . ?
C11E C12E Si1' 131.7(11) . . ?
C7E C12E Si1' 107.9(10) . . ?
Si1' C13E H13G 109.5 . . ?
Si1' C13E H13H 109.5 . . ?
H13G C13E H13H 109.5 . . ?
Si1' C13E H13I 109.5 . . ?
H13G C13E H13I 109.5 . . ?
H13H C13E H13I 109.5 . . ?
C13E Si1' C1E 114.2(10) . . ?
C13E Si1' C12E 115.8(11) . . ?
C1E Si1' C12E 91.2(6) . . ?
C13E Si1' Si2' 111.0(8) . . ?
C1E Si1' Si2' 111.4(4) . . ?
C12E Si1' Si2' 112.0(4) . . ?
C13F Si2' C1F 116.5(13) . . ?
C13F Si2' C12F 114.9(14) . . ?
C1F Si2' C12F 88.9(6) . . ?
C13F Si2' Si1' 111.3(10) . . ?
C1F Si2' Si1' 111.6(5) . . ?
C12F Si2' Si1' 111.9(4) . . ?
C6F C1F C2F 119.7(13) . . ?
C6F C1F Si2' 112.6(11) . . ?
C2F C1F Si2' 127.7(11) . . ?
C3F C2F C1F 119.6(16) . . ?
C3F C2F H2F 120.2 . . ?
C1F C2F H2F 120.2 . . ?
C4F C3F C2F 120(2) . . ?
C4F C3F H3F 119.9 . . ?
C2F C3F H3F 119.9 . . ?
C3F C4F C5F 120(2) . . ?
C3F C4F H4F 119.9 . . ?
C5F C4F H4F 119.9 . . ?
C6F C5F C4F 121(2) . . ?
C6F C5F H5F 119.5 . . ?
C4F C5F H5F 119.5 . . ?
C5F C6F C1F 119.2(17) . . ?
C5F C6F C7F 128.4(17) . . ?
C1F C6F C7F 112.4(14) . . ?
C8F C7F C12F 119.2(17) . . ?
C8F C7F C6F 125.4(16) . . ?
C12F C7F C6F 115.4(14) . . ?
C9F C8F C7F 121(2) . . ?
C9F C8F H8F 119.4 . . ?
C7F C8F H8F 119.4 . . ?
C8F C9F C10F 119(2) . . ?
C8F C9F H9F 120.5 . . ?
C10F C9F H9F 120.5 . . ?
C11F C10F C9F 120(2) . . ?
C11F C10F H10F 120.0 . . ?
C9F C10F H10F 120.0 . . ?
C10F C11F C12F 122.3(16) . . ?
C10F C11F H11F 118.8 . . ?
C12F C11F H11F 118.8 . . ?
C11F C12F C7F 118.4(13) . . ?
C11F C12F Si2' 131.1(11) . . ?
C7F C12F Si2' 110.5(10) . . ?
Si2' C13F H13J 109.5 . . ?
Si2' C13F H13K 109.5 . . ?
H13J C13F H13K 109.5 . . ?
Si2' C13F H13L 109.5 . . ?
H13J C13F H13L 109.5 . . ?
H13K C13F H13L 109.5 . . ?
C2C C1C C6C 118.7(5) . . ?
C2C C1C Si3 131.9(4) . . ?
C6C C1C Si3 109.4(4) . . ?
C3C C2C C1C 121.0(5) . . ?
C3C C2C H2C 119.5 . . ?
C1C C2C H2C 119.5 . . ?
C2C C3C C4C 120.4(6) . . ?
C2C C3C H3C 119.8 . . ?
C4C C3C H3C 119.8 . . ?
C5C C4C C3C 120.5(6) . . ?
C5C C4C H4C 119.7 . . ?
C3C C4C H4C 119.7 . . ?
C4C C5C C6C 119.8(5) . . ?
C4C C5C H5C 120.1 . . ?
C6C C5C H5C 120.1 . . ?
C5C C6C C1C 119.6(5) . . ?
C5C C6C C7C 125.4(5) . . ?
C1C C6C C7C 114.9(4) . . ?
C8C C7C C12C 121.5(5) . . ?
C8C C7C C6C 124.5(5) . . ?
C12C C7C C6C 113.9(4) . . ?
C7C C8C C9C 119.2(5) . . ?
C7C C8C H8C 120.4 . . ?
C9C C8C H8C 120.4 . . ?
C10C C9C C8C 120.2(5) . . ?
C10C C9C H9C 119.9 . . ?
C8C C9C H9C 119.9 . . ?
C9C C10C C11C 120.7(6) . . ?
C9C C10C H10C 119.6 . . ?
C11C C10C H10C 119.6 . . ?
C10C C11C C12C 120.0(5) . . ?
C10C C11C H11C 120.0 . . ?
C12C C11C H11C 120.0 . . ?
C11C C12C C7C 118.3(4) . . ?
C11C C12C Si3 130.8(4) . . ?
C7C C12C Si3 110.9(4) . . ?
Si3 C13C H13M 109.5 . . ?
Si3 C13C H13N 109.5 . . ?
H13M C13C H13N 109.5 . . ?
Si3 C13C H13O 109.5 . . ?
H13M C13C H13O 109.5 . . ?
H13N C13C H13O 109.5 . . ?
C12C Si3 C13C 115.9(2) . . ?
C12C Si3 C1C 90.8(2) . . ?
C13C Si3 C1C 115.8(3) . . ?
C12C Si3 Si4 111.60(15) . . ?
C13C Si3 Si4 109.9(2) . . ?
C1C Si3 Si4 111.76(13) . . ?
C13D Si4 C12D 115.6(5) . . ?
C13D Si4 C1D 115.4(5) . . ?
C12D Si4 C1D 91.6(2) . . ?
C13D Si4 Si3 109.6(3) . . ?
C12D Si4 Si3 111.96(14) . . ?
C1D Si4 Si3 111.72(14) . . ?
C2D C1D C6D 119.5(5) . . ?
C2D C1D Si4 131.7(4) . . ?
C6D C1D Si4 108.8(4) . . ?
C3D C2D C1D 121.5(5) . . ?
C3D C2D H2D 119.3 . . ?
C1D C2D H2D 119.3 . . ?
C4D C3D C2D 118.8(6) . . ?
C4D C3D H3D 120.6 . . ?
C2D C3D H3D 120.6 . . ?
C3D C4D C5D 121.1(5) . . ?
C3D C4D H4D 119.5 . . ?
C5D C4D H4D 119.5 . . ?
C4D C5D C6D 120.6(5) . . ?
C4D C5D H5D 119.7 . . ?
C6D C5D H5D 119.7 . . ?
C5D C6D C1D 118.5(5) . . ?
C5D C6D C7D 125.8(5) . . ?
C1D C6D C7D 115.6(4) . . ?
C8D C7D C12D 119.9(5) . . ?
C8D C7D C6D 125.1(5) . . ?
C12D C7D C6D 115.0(5) . . ?
C7D C8D C9D 120.3(5) . . ?
C7D C8D H8D 119.9 . . ?
C9D C8D H8D 119.9 . . ?
C10D C9D C8D 120.4(6) . . ?
C10D C9D H9D 119.8 . . ?
C8D C9D H9D 119.8 . . ?
C9D C10D C11D 119.2(6) . . ?
C9D C10D H10D 120.4 . . ?
C11D C10D H10D 120.4 . . ?
C12D C11D C10D 121.3(5) . . ?
C12D C11D H11D 119.4 . . ?
C10D C11D H11D 119.4 . . ?
C11D C12D C7D 118.9(5) . . ?
C11D C12D Si4 132.2(4) . . ?
C7D C12D Si4 108.9(4) . . ?
Si4 C13D H13P 109.5 . . ?
Si4 C13D H13Q 109.5 . . ?
H13P C13D H13Q 109.5 . . ?
Si4 C13D H13R 109.5 . . ?
H13P C13D H13R 109.5 . . ?
H13Q C13D H13R 109.5 . . ?
C2G C1G C6G 118.8(17) . . ?
C2G C1G Si3' 131.8(16) . . ?
C6G C1G Si3' 109.4(13) . . ?
C3G C2G C1G 121(2) . . ?
C3G C2G H2G 119.5 . . ?
C1G C2G H2G 119.5 . . ?
C2G C3G C4G 121(2) . . ?
C2G C3G H3G 119.5 . . ?
C4G C3G H3G 119.5 . . ?
C3G C4G C5G 120(3) . . ?
C3G C4G H4G 119.9 . . ?
C5G C4G H4G 119.9 . . ?
C6G C5G C4G 119(3) . . ?
C6G C5G H5G 120.4 . . ?
C4G C5G H5G 120.4 . . ?
C5G C6G C1G 120(2) . . ?
C5G C6G C7G 125(2) . . ?
C1G C6G C7G 115.5(17) . . ?
C8G C7G C12G 122.9(19) . . ?
C8G C7G C6G 124(2) . . ?
C12G C7G C6G 112.8(16) . . ?
C7G C8G C9G 118(2) . . ?
C7G C8G H8G 121.2 . . ?
C9G C8G H8G 121.2 . . ?
C10G C9G C8G 120(2) . . ?
C10G C9G H9G 120.2 . . ?
C8G C9G H9G 120.2 . . ?
C9G C10G C11G 123(2) . . ?
C9G C10G H10G 118.5 . . ?
C11G C10G H10G 118.5 . . ?
C10G C11G C12G 118(2) . . ?
C10G C11G H11G 120.8 . . ?
C12G C11G H11G 120.8 . . ?
C11G C12G C7G 118.4(18) . . ?
C11G C12G Si3' 130.5(16) . . ?
C7G C12G Si3' 111.0(13) . . ?
Si3' C13G H13S 109.5 . . ?
Si3' C13G H13T 109.5 . . ?
H13S C13G H13T 109.5 . . ?
Si3' C13G H13U 109.5 . . ?
H13S C13G H13U 109.5 . . ?
H13T C13G H13U 109.5 . . ?
C1G Si3' C12G 91.0(9) . . ?
C1G Si3' C13G 116(2) . . ?
C12G Si3' C13G 114(2) . . ?
C1G Si3' Si4' 114.4(7) . . ?
C12G Si3' Si4' 114.2(7) . . ?
C13G Si3' Si4' 107(2) . . ?
C13H Si4' C12H 118.0(13) . . ?
C13H Si4' C1H 113.3(12) . . ?
C12H Si4' C1H 91.3(10) . . ?
C13H Si4' Si3' 114.0(10) . . ?
C12H Si4' Si3' 108.6(8) . . ?
C1H Si4' Si3' 109.4(7) . . ?
C6H C1H C2H 118.8(17) . . ?
C6H C1H Si4' 108.7(14) . . ?
C2H C1H Si4' 132.1(16) . . ?
C1H C2H C3H 115(2) . . ?
C1H C2H H2H 122.5 . . ?
C3H C2H H2H 122.5 . . ?
C4H C3H C2H 126(2) . . ?
C4H C3H H3H 117.2 . . ?
C2H C3H H3H 117.2 . . ?
C3H C4H C5H 121(2) . . ?
C3H C4H H4H 119.6 . . ?
C5H C4H H4H 119.6 . . ?
C4H C5H C6H 114(2) . . ?
C4H C5H H5H 122.9 . . ?
C6H C5H H5H 122.9 . . ?
C1H C6H C5H 125.5(19) . . ?
C1H C6H C7H 115.2(17) . . ?
C5H C6H C7H 119.3(19) . . ?
C8H C7H C12H 122.8(19) . . ?
C8H C7H C6H 122(2) . . ?
C12H C7H C6H 114.9(17) . . ?
C7H C8H C9H 117(2) . . ?
C7H C8H H8H 121.6 . . ?
C9H C8H H8H 121.6 . . ?
C10H C9H C8H 121(2) . . ?
C10H C9H H9H 119.4 . . ?
C8H C9H H9H 119.4 . . ?
C9H C10H C11H 123(3) . . ?
C9H C10H H10H 118.6 . . ?
C11H C10H H10H 118.6 . . ?
C12H C11H C10H 116(2) . . ?
C12H C11H H11H 121.9 . . ?
C10H C11H H11H 121.9 . . ?
C11H C12H C7H 120.3(18) . . ?
C11H C12H Si4' 129.9(16) . . ?
C7H C12H Si4' 108.4(14) . . ?
Si4' C13H H13V 109.5 . . ?
Si4' C13H H13W 109.5 . . ?
H13V C13H H13W 109.5 . . ?
Si4' C13H H13$ 109.5 . . ?
H13V C13H H13$ 109.5 . . ?
H13W C13H H13$ 109.5 . . ?
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
C1A C2A 1.394(8) . ?
C1A C6A 1.417(8) . ?
C1A Si1 1.877(6) . ?
C2A C3A 1.407(10) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.381(11) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.389(10) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.394(9) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.465(9) . ?
C7A C8A 1.398(9) . ?
C7A C12A 1.424(8) . ?
C8A C9A 1.392(10) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.364(11) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.367(10) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.393(8) . ?
C11A H11A 0.9500 . ?
C12A Si1 1.878(6) . ?
C13A Si1 1.863(10) . ?
C13A H13A 0.9800 . ?
C13A H13B 0.9800 . ?
C13A H13C 0.9800 . ?
Si1 Si2 2.3302(17) . ?
Si2 C13B 1.851(8) . ?
Si2 C1B 1.874(6) . ?
Si2 C12B 1.877(6) . ?
C1B C6B 1.396(9) . ?
C1B C2B 1.400(8) . ?
C2B C3B 1.396(9) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.393(10) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.397(10) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.401(9) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.486(9) . ?
C7B C8B 1.396(9) . ?
C7B C12B 1.421(8) . ?
C8B C9B 1.384(10) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.386(10) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.386(9) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.384(8) . ?
C11B H11B 0.9500 . ?
C13B H13D 0.9800 . ?
C13B H13E 0.9800 . ?
C13B H13F 0.9800 . ?
C1E C2E 1.389(17) . ?
C1E C6E 1.419(17) . ?
C1E Si1' 1.876(13) . ?
C2E C3E 1.394(19) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.38(2) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.39(2) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.400(19) . ?
C5E H5E 0.9500 . ?
C6E C7E 1.460(18) . ?
C7E C8E 1.390(18) . ?
C7E C12E 1.401(17) . ?
C8E C9E 1.355(19) . ?
C8E H8E 0.9500 . ?
C9E C10E 1.39(2) . ?
C9E H9E 0.9500 . ?
C10E C11E 1.382(19) . ?
C10E H10E 0.9500 . ?
C11E C12E 1.381(18) . ?
C11E H11E 0.9500 . ?
C12E Si1' 1.889(14) . ?
C13E Si1' 1.86(2) . ?
C13E H13G 0.9800 . ?
C13E H13H 0.9800 . ?
C13E H13I 0.9800 . ?
Si1' Si2' 2.318(5) . ?
Si2' C13F 1.86(2) . ?
Si2' C1F 1.877(13) . ?
Si2' C12F 1.884(14) . ?
C1F C6F 1.402(18) . ?
C1F C2F 1.421(17) . ?
C2F C3F 1.393(19) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.37(2) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.40(2) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.380(18) . ?
C5F H5F 0.9500 . ?
C6F C7F 1.495(18) . ?
C7F C8F 1.402(18) . ?
C7F C12F 1.407(17) . ?
C8F C9F 1.39(2) . ?
C8F H8F 0.9500 . ?
C9F C10F 1.40(2) . ?
C9F H9F 0.9500 . ?
C10F C11F 1.36(2) . ?
C10F H10F 0.9500 . ?
C11F C12F 1.400(17) . ?
C11F H11F 0.9500 . ?
C13F H13J 0.9800 . ?
C13F H13K 0.9800 . ?
C13F H13L 0.9800 . ?
C1C C2C 1.399(7) . ?
C1C C6C 1.425(6) . ?
C1C Si3 1.875(5) . ?
C2C C3C 1.366(8) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.393(9) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.385(8) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.399(7) . ?
C5C H5C 0.9500 . ?
C6C C7C 1.493(7) . ?
C7C C8C 1.395(7) . ?
C7C C12C 1.408(7) . ?
C8C C9C 1.399(8) . ?
C8C H8C 0.9500 . ?
C9C C10C 1.383(9) . ?
C9C H9C 0.9500 . ?
C10C C11C 1.404(8) . ?
C10C H10C 0.9500 . ?
C11C C12C 1.406(7) . ?
C11C H11C 0.9500 . ?
C12C Si3 1.868(5) . ?
C13C Si3 1.870(5) . ?
C13C H13M 0.9800 . ?
C13C H13N 0.9800 . ?
C13C H13O 0.9800 . ?
Si3 Si4 2.3227(15) . ?
Si4 C13D 1.868(10) . ?
Si4 C12D 1.870(5) . ?
Si4 C1D 1.875(5) . ?
C1D C2D 1.388(7) . ?
C1D C6D 1.403(7) . ?
C2D C3D 1.384(8) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.375(9) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.380(8) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.397(7) . ?
C5D H5D 0.9500 . ?
C6D C7D 1.479(7) . ?
C7D C8D 1.389(7) . ?
C7D C12D 1.415(6) . ?
C8D C9D 1.400(8) . ?
C8D H8D 0.9500 . ?
C9D C10D 1.387(9) . ?
C9D H9D 0.9500 . ?
C10D C11D 1.404(9) . ?
C10D H10D 0.9500 . ?
C11D C12D 1.390(7) . ?
C11D H11D 0.9500 . ?
C13D H13P 0.9800 . ?
C13D H13Q 0.9800 . ?
C13D H13R 0.9800 . ?
C1G C2G 1.39(2) . ?
C1G C6G 1.42(2) . ?
C1G Si3' 1.855(18) . ?
C2G C3G 1.35(2) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.39(2) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.39(2) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.39(2) . ?
C5G H5G 0.9500 . ?
C6G C7G 1.49(2) . ?
C7G C8G 1.40(2) . ?
C7G C12G 1.41(2) . ?
C8G C9G 1.42(2) . ?
C8G H8G 0.9500 . ?
C9G C10G 1.38(2) . ?
C9G H9G 0.9500 . ?
C10G C11G 1.40(2) . ?
C10G H10G 0.9500 . ?
C11G C12G 1.41(2) . ?
C11G H11G 0.9500 . ?
C12G Si3' 1.867(18) . ?
C13G Si3' 1.89(2) . ?
C13G H13S 0.9800 . ?
C13G H13T 0.9800 . ?
C13G H13U 0.9800 . ?
Si3' Si4' 2.325(10) . ?
Si4' C13H 1.87(2) . ?
Si4' C12H 1.874(18) . ?
Si4' C1H 1.880(18) . ?
C1H C6H 1.39(2) . ?
C1H C2H 1.40(2) . ?
C2H C3H 1.40(2) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.37(2) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.38(2) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.42(2) . ?
C5H H5H 0.9500 . ?
C6H C7H 1.50(2) . ?
C7H C8H 1.39(2) . ?
C7H C12H 1.40(2) . ?
C8H C9H 1.40(2) . ?
C8H H8H 0.9500 . ?
C9H C10H 1.37(2) . ?
C9H H9H 0.9500 . ?
C10H C11H 1.42(2) . ?
C10H H10H 0.9500 . ?
C11H C12H 1.40(2) . ?
C11H H11H 0.9500 . ?
C13H H13V 0.9800 . ?
C13H H13W 0.9800 . ?
C13H H13$ 0.9800 . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6A C1A C2A C3A -0.13(18) . . . . ?
Si1 C1A C2A C3A 175.3(4) . . . . ?
C1A C2A C3A C4A -0.08(18) . . . . ?
C2A C3A C4A C5A 0.2(4) . . . . ?
C3A C4A C5A C6A -0.1(5) . . . . ?
C4A C5A C6A C1A -0.1(5) . . . . ?
C4A C5A C6A C7A 179.0(5) . . . . ?
C2A C1A C6A C5A 0.2(4) . . . . ?
Si1 C1A C6A C5A -176.1(4) . . . . ?
C2A C1A C6A C7A -179.0(4) . . . . ?
Si1 C1A C6A C7A 4.6(4) . . . . ?
C5A C6A C7A C8A -0.7(6) . . . . ?
C1A C6A C7A C8A 178.5(3) . . . . ?
C5A C6A C7A C12A 178.2(4) . . . . ?
C1A C6A C7A C12A -2.7(5) . . . . ?
C12A C7A C8A C9A 0.08(17) . . . . ?
C6A C7A C8A C9A 178.9(4) . . . . ?
C7A C8A C9A C10A -0.13(19) . . . . ?
C8A C9A C10A C11A 0.5(4) . . . . ?
C9A C10A C11A C12A -0.7(5) . . . . ?
C10A C11A C12A C7A 0.7(5) . . . . ?
C10A C11A C12A Si1 -177.4(4) . . . . ?
C8A C7A C12A C11A -0.3(4) . . . . ?
C6A C7A C12A C11A -179.3(4) . . . . ?
C8A C7A C12A Si1 178.2(3) . . . . ?
C6A C7A C12A Si1 -0.8(4) . . . . ?
C2A C1A Si1 C13A -62.4(5) . . . . ?
C6A C1A Si1 C13A 113.4(5) . . . . ?
C2A C1A Si1 C12A 180.0(3) . . . . ?
C6A C1A Si1 C12A -4.2(3) . . . . ?
C2A C1A Si1 Si2 64.6(3) . . . . ?
C6A C1A Si1 Si2 -119.6(2) . . . . ?
C11A C12A Si1 C13A 64.4(6) . . . . ?
C7A C12A Si1 C13A -113.9(5) . . . . ?
C11A C12A Si1 C1A -178.9(4) . . . . ?
C7A C12A Si1 C1A 2.8(3) . . . . ?
C11A C12A Si1 Si2 -63.7(4) . . . . ?
C7A C12A Si1 Si2 118.1(2) . . . . ?
C13B Si2 C1B C6B 115.7(4) . . . . ?
C12B Si2 C1B C6B -0.3(3) . . . . ?
Si1 Si2 C1B C6B -116.9(3) . . . . ?
C13B Si2 C1B C2B -63.8(4) . . . . ?
C12B Si2 C1B C2B -179.8(3) . . . . ?
Si1 Si2 C1B C2B 63.6(3) . . . . ?
C6B C1B C2B C3B 0.39(18) . . . . ?
Si2 C1B C2B C3B 179.9(4) . . . . ?
C1B C2B C3B C4B 0.16(18) . . . . ?
C2B C3B C4B C5B 0.0(4) . . . . ?
C3B C4B C5B C6B -0.6(5) . . . . ?
C2B C1B C6B C5B -1.1(4) . . . . ?
Si2 C1B C6B C5B 179.3(3) . . . . ?
C2B C1B C6B C7B 177.1(4) . . . . ?
Si2 C1B C6B C7B -2.5(4) . . . . ?
C4B C5B C6B C1B 1.2(5) . . . . ?
C4B C5B C6B C7B -176.9(5) . . . . ?
C1B C6B C7B C8B -175.1(3) . . . . ?
C5B C6B C7B C8B 3.0(6) . . . . ?
C1B C6B C7B C12B 5.2(5) . . . . ?
C5B C6B C7B C12B -176.7(4) . . . . ?
C12B C7B C8B C9B 0.25(18) . . . . ?
C6B C7B C8B C9B -179.5(5) . . . . ?
C7B C8B C9B C10B -0.03(19) . . . . ?
C8B C9B C10B C11B 0.2(4) . . . . ?
C9B C10B C11B C12B -0.7(5) . . . . ?
C10B C11B C12B C7B 0.9(5) . . . . ?
C10B C11B C12B Si2 -173.9(4) . . . . ?
C8B C7B C12B C11B -0.7(4) . . . . ?
C6B C7B C12B C11B 179.0(4) . . . . ?
C8B C7B C12B Si2 175.3(3) . . . . ?
C6B C7B C12B Si2 -5.0(5) . . . . ?
C13B Si2 C12B C11B 62.4(5) . . . . ?
C1B Si2 C12B C11B 178.2(4) . . . . ?
Si1 Si2 C12B C11B -65.2(4) . . . . ?
C13B Si2 C12B C7B -112.8(4) . . . . ?
C1B Si2 C12B C7B 3.0(3) . . . . ?
Si1 Si2 C12B C7B 119.6(3) . . . . ?
C6E C1E C2E C3E 0.04(19) . . . . ?
Si1' C1E C2E C3E 178.5(12) . . . . ?
C1E C2E C3E C4E 0.0(2) . . . . ?
C2E C3E C4E C5E 0.1(4) . . . . ?
C3E C4E C5E C6E -0.1(6) . . . . ?
C4E C5E C6E C1E 0.2(6) . . . . ?
C4E C5E C6E C7E 178.4(14) . . . . ?
C2E C1E C6E C5E -0.1(4) . . . . ?
Si1' C1E C6E C5E -178.9(10) . . . . ?
C2E C1E C6E C7E -178.5(12) . . . . ?
Si1' C1E C6E C7E 2.7(12) . . . . ?
C5E C6E C7E C8E -1.2(15) . . . . ?
C1E C6E C7E C8E 177.2(9) . . . . ?
C5E C6E C7E C12E 174.5(10) . . . . ?
C1E C6E C7E C12E -7.1(15) . . . . ?
C12E C7E C8E C9E -0.2(2) . . . . ?
C6E C7E C8E C9E 175.4(12) . . . . ?
C7E C8E C9E C10E 0.0(2) . . . . ?
C8E C9E C10E C11E 0.0(5) . . . . ?
C9E C10E C11E C12E 0.2(6) . . . . ?
C10E C11E C12E C7E -0.4(6) . . . . ?
C10E C11E C12E Si1' 175.7(11) . . . . ?
C8E C7E C12E C11E 0.4(4) . . . . ?
C6E C7E C12E C11E -175.4(11) . . . . ?
C8E C7E C12E Si1' -176.6(9) . . . . ?
C6E C7E C12E Si1' 7.7(11) . . . . ?
C2E C1E Si1' C13E 63.7(15) . . . . ?
C6E C1E Si1' C13E -117.8(13) . . . . ?
C2E C1E Si1' C12E -177.3(10) . . . . ?
C6E C1E Si1' C12E 1.3(8) . . . . ?
C2E C1E Si1' Si2' -63.0(10) . . . . ?
C6E C1E Si1' Si2' 115.6(7) . . . . ?
C11E C12E Si1' C13E -63.7(13) . . . . ?
C7E C12E Si1' C13E 112.8(11) . . . . ?
C11E C12E Si1' C1E 178.6(9) . . . . ?
C7E C12E Si1' C1E -5.0(8) . . . . ?
C11E C12E Si1' Si2' 64.9(9) . . . . ?
C7E C12E Si1' Si2' -118.6(6) . . . . ?
C13F Si2' C1F C6F -113.7(16) . . . . ?
C12F Si2' C1F C6F 3.7(9) . . . . ?
Si1' Si2' C1F C6F 116.8(7) . . . . ?
C13F Si2' C1F C2F 64.3(17) . . . . ?
C12F Si2' C1F C2F -178.3(10) . . . . ?
Si1' Si2' C1F C2F -65.2(10) . . . . ?
C6F C1F C2F C3F 0.11(19) . . . . ?
Si2' C1F C2F C3F -177.7(12) . . . . ?
C1F C2F C3F C4F 0.0(2) . . . . ?
C2F C3F C4F C5F 0.0(4) . . . . ?
C3F C4F C5F C6F -0.2(6) . . . . ?
C4F C5F C6F C1F 0.3(6) . . . . ?
C4F C5F C6F C7F -178.9(16) . . . . ?
C2F C1F C6F C5F -0.3(4) . . . . ?
Si2' C1F C6F C5F 177.9(10) . . . . ?
C2F C1F C6F C7F 179.0(14) . . . . ?
Si2' C1F C6F C7F -2.8(13) . . . . ?
C5F C6F C7F C8F 2.7(18) . . . . ?
C1F C6F C7F C8F -176.5(10) . . . . ?
C5F C6F C7F C12F 179.1(10) . . . . ?
C1F C6F C7F C12F -0.1(16) . . . . ?
C12F C7F C8F C9F -0.03(19) . . . . ?
C6F C7F C8F C9F 176.2(15) . . . . ?
C7F C8F C9F C10F 0.0(2) . . . . ?
C8F C9F C10F C11F -0.1(4) . . . . ?
C9F C10F C11F C12F 0.2(6) . . . . ?
C10F C11F C12F C7F -0.2(6) . . . . ?
C10F C11F C12F Si2' -179.6(12) . . . . ?
C8F C7F C12F C11F 0.1(4) . . . . ?
C6F C7F C12F C11F -176.5(14) . . . . ?
C8F C7F C12F Si2' 179.6(10) . . . . ?
C6F C7F C12F Si2' 3.0(13) . . . . ?
C13F Si2' C12F C11F -65.3(16) . . . . ?
C1F Si2' C12F C11F 175.8(10) . . . . ?
Si1' Si2' C12F C11F 62.8(10) . . . . ?
C13F Si2' C12F C7F 115.2(14) . . . . ?
C1F Si2' C12F C7F -3.7(8) . . . . ?
Si1' Si2' C12F C7F -116.6(7) . . . . ?
C6C C1C C2C C3C -0.06(17) . . . . ?
Si3 C1C C2C C3C -179.4(3) . . . . ?
C1C C2C C3C C4C -0.09(18) . . . . ?
C2C C3C C4C C5C 0.3(4) . . . . ?
C3C C4C C5C C6C -0.4(5) . . . . ?
C4C C5C C6C C1C 0.2(5) . . . . ?
C4C C5C C6C C7C 178.5(4) . . . . ?
C2C C1C C6C C5C 0.0(4) . . . . ?
Si3 C1C C6C C5C 179.5(3) . . . . ?
C2C C1C C6C C7C -178.4(3) . . . . ?
Si3 C1C C6C C7C 1.1(3) . . . . ?
C5C C6C C7C C8C -0.5(5) . . . . ?
C1C C6C C7C C8C 177.8(3) . . . . ?
C5C C6C C7C C12C -177.7(3) . . . . ?
C1C C6C C7C C12C 0.6(4) . . . . ?
C12C C7C C8C C9C 0.36(17) . . . . ?
C6C C7C C8C C9C -176.6(3) . . . . ?
C7C C8C C9C C10C 0.17(18) . . . . ?
C8C C9C C10C C11C -0.3(4) . . . . ?
C9C C10C C11C C12C -0.2(5) . . . . ?
C10C C11C C12C C7C 0.7(4) . . . . ?
C10C C11C C12C Si3 178.8(3) . . . . ?
C8C C7C C12C C11C -0.8(3) . . . . ?
C6C C7C C12C C11C 176.5(3) . . . . ?
C8C C7C C12C Si3 -179.3(2) . . . . ?
C6C C7C C12C Si3 -2.0(3) . . . . ?
C11C C12C Si3 C13C 64.6(4) . . . . ?
C7C C12C Si3 C13C -117.2(3) . . . . ?
C11C C12C Si3 C1C -176.1(3) . . . . ?
C7C C12C Si3 C1C 2.1(2) . . . . ?
C11C C12C Si3 Si4 -62.3(3) . . . . ?
C7C C12C Si3 Si4 116.0(2) . . . . ?
C2C C1C Si3 C12C 177.6(3) . . . . ?
C6C C1C Si3 C12C -1.8(2) . . . . ?
C2C C1C Si3 C13C -62.9(3) . . . . ?
C6C C1C Si3 C13C 117.7(3) . . . . ?
C2C C1C Si3 Si4 63.9(3) . . . . ?
C6C C1C Si3 Si4 -115.5(2) . . . . ?
C13D Si4 C1D C2D -62.0(5) . . . . ?
C12D Si4 C1D C2D 178.5(3) . . . . ?
Si3 Si4 C1D C2D 64.1(3) . . . . ?
C13D Si4 C1D C6D 118.2(5) . . . . ?
C12D Si4 C1D C6D -1.3(3) . . . . ?
Si3 Si4 C1D C6D -115.7(2) . . . . ?
C6D C1D C2D C3D -0.32(17) . . . . ?
Si4 C1D C2D C3D 179.9(3) . . . . ?
C1D C2D C3D C4D -0.35(18) . . . . ?
C2D C3D C4D C5D 0.8(4) . . . . ?
C3D C4D C5D C6D -0.5(5) . . . . ?
C4D C5D C6D C1D -0.2(5) . . . . ?
C4D C5D C6D C7D 177.3(4) . . . . ?
C2D C1D C6D C5D 0.6(4) . . . . ?
Si4 C1D C6D C5D -179.6(3) . . . . ?
C2D C1D C6D C7D -177.2(3) . . . . ?
Si4 C1D C6D C7D 2.7(4) . . . . ?
C5D C6D C7D C8D -0.7(5) . . . . ?
C1D C6D C7D C8D 176.8(3) . . . . ?
C5D C6D C7D C12D 179.3(3) . . . . ?
C1D C6D C7D C12D -3.1(4) . . . . ?
C12D C7D C8D C9D 0.11(17) . . . . ?
C6D C7D C8D C9D -179.9(4) . . . . ?
C7D C8D C9D C10D -0.16(18) . . . . ?
C8D C9D C10D C11D 0.5(4) . . . . ?
C9D C10D C11D C12D -0.9(5) . . . . ?
C10D C11D C12D C7D 0.9(5) . . . . ?
C10D C11D C12D Si4 177.8(4) . . . . ?
C8D C7D C12D C11D -0.5(4) . . . . ?
C6D C7D C12D C11D 179.5(4) . . . . ?
C8D C7D C12D Si4 -178.1(3) . . . . ?
C6D C7D C12D Si4 1.9(4) . . . . ?
C13D Si4 C12D C11D 63.2(6) . . . . ?
C1D Si4 C12D C11D -177.5(3) . . . . ?
Si3 Si4 C12D C11D -63.3(4) . . . . ?
C13D Si4 C12D C7D -119.6(5) . . . . ?
C1D Si4 C12D C7D -0.4(3) . . . . ?
Si3 Si4 C12D C7D 113.9(2) . . . . ?
C6G C1G C2G C3G 0.0(2) . . . . ?
Si3' C1G C2G C3G -178.9(18) . . . . ?
C1G C2G C3G C4G 0.0(2) . . . . ?
C2G C3G C4G C5G 0.1(5) . . . . ?
C3G C4G C5G C6G -0.2(6) . . . . ?
C4G C5G C6G C1G 0.2(6) . . . . ?
C4G C5G C6G C7G -179(2) . . . . ?
C2G C1G C6G C5G -0.1(5) . . . . ?
Si3' C1G C6G C5G 179.0(15) . . . . ?
C2G C1G C6G C7G 179.0(18) . . . . ?
Si3' C1G C6G C7G -1.8(17) . . . . ?
C5G C6G C7G C8G 1(2) . . . . ?
C1G C6G C7G C8G -178.0(13) . . . . ?
C5G C6G C7G C12G -175.6(13) . . . . ?
C1G C6G C7G C12G 5.3(19) . . . . ?
C12G C7G C8G C9G 0.01(19) . . . . ?
C6G C7G C8G C9G -176.4(19) . . . . ?
C7G C8G C9G C10G 0.02(19) . . . . ?
C8G C9G C10G C11G 0.0(4) . . . . ?
C9G C10G C11G C12G 0.0(6) . . . . ?
C10G C11G C12G C7G 0.0(5) . . . . ?
C10G C11G C12G Si3' -176.6(17) . . . . ?
C8G C7G C12G C11G 0.0(4) . . . . ?
C6G C7G C12G C11G 176.7(17) . . . . ?
C8G C7G C12G Si3' 177.2(13) . . . . ?
C6G C7G C12G Si3' -6.1(16) . . . . ?
C2G C1G Si3' C12G 177.6(14) . . . . ?
C6G C1G Si3' C12G -1.3(12) . . . . ?
C2G C1G Si3' C13G 60(3) . . . . ?
C6G C1G Si3' C13G -119(3) . . . . ?
C2G C1G Si3' Si4' -65.2(15) . . . . ?
C6G C1G Si3' Si4' 115.9(10) . . . . ?
C11G C12G Si3' C1G -178.9(14) . . . . ?
C7G C12G Si3' C1G 4.3(11) . . . . ?
C11G C12G Si3' C13G -60(3) . . . . ?
C7G C12G Si3' C13G 123(3) . . . . ?
C11G C12G Si3' Si4' 63.7(14) . . . . ?
C7G C12G Si3' Si4' -113.1(9) . . . . ?
C13H Si4' C1H C6H -111.4(15) . . . . ?
C12H Si4' C1H C6H 10.0(12) . . . . ?
Si3' Si4' C1H C6H 120.3(9) . . . . ?
C13H Si4' C1H C2H 62(2) . . . . ?
C12H Si4' C1H C2H -177.0(16) . . . . ?
Si3' Si4' C1H C2H -66.8(16) . . . . ?
C6H C1H C2H C3H 0.02(19) . . . . ?
Si4' C1H C2H C3H -172.4(18) . . . . ?
C1H C2H C3H C4H 0.0(2) . . . . ?
C2H C3H C4H C5H 0.0(4) . . . . ?
C3H C4H C5H C6H -0.1(5) . . . . ?
C2H C1H C6H C5H -0.1(4) . . . . ?
Si4' C1H C6H C5H 174.0(14) . . . . ?
C2H C1H C6H C7H 179(2) . . . . ?
Si4' C1H C6H C7H -6.6(16) . . . . ?
C4H C5H C6H C1H 0.1(6) . . . . ?
C4H C5H C6H C7H -179(2) . . . . ?
C1H C6H C7H C8H 175.1(13) . . . . ?
C5H C6H C7H C8H -5(2) . . . . ?
C1H C6H C7H C12H -2(2) . . . . ?
C5H C6H C7H C12H 177.4(12) . . . . ?
C12H C7H C8H C9H 0.0(2) . . . . ?
C6H C7H C8H C9H -177(2) . . . . ?
C7H C8H C9H C10H 0.0(2) . . . . ?
C8H C9H C10H C11H 0.0(4) . . . . ?
C9H C10H C11H C12H 0.1(6) . . . . ?
C10H C11H C12H C7H -0.1(5) . . . . ?
C10H C11H C12H Si4' 164.5(19) . . . . ?
C8H C7H C12H C11H 0.1(4) . . . . ?
C6H C7H C12H C11H 177(2) . . . . ?
C8H C7H C12H Si4' -167.5(16) . . . . ?
C6H C7H C12H Si4' 9.6(17) . . . . ?
C13H Si4' C12H C11H -60(2) . . . . ?
C1H Si4' C12H C11H -177.1(17) . . . . ?
Si3' Si4' C12H C11H 72.0(17) . . . . ?
C13H Si4' C12H C7H 106.3(15) . . . . ?
C1H Si4' C12H C7H -11.1(12) . . . . ?
Si3' Si4' C12H C7H -122.0(10) . . . . ?
