#------------------------------------------------------------------------------
#$Date: 2022-11-07 07:06:40 +0200 (Mon, 07 Nov 2022) $
#$Revision: 278960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/08/7130864.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_7130864
loop_
_publ_author_name
'Stefanowska, Kinga'
'Sokolnicki, Tomasz'
'Walkowiak, Jędrzej'
'Czapik, Agnieszka'
'Franczyk, Adrian'
_publ_section_title
;
 Directed cis-hydrosilylation of borylalkynes to borylsilylalkenes.
;
_journal_issue                   86
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12046
_journal_page_last               12049
_journal_paper_doi               10.1039/d2cc04318a
_journal_volume                  58
_journal_year                    2022
_chemical_formula_moiety         'C26 H29 B O2 Si'
_chemical_formula_sum            'C26 H29 B O2 Si'
_chemical_formula_weight         412.41
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-09-03 deposited with the CCDC.	2022-09-23 downloaded from the CCDC.
;
_cell_angle_alpha                96.7187(14)
_cell_angle_beta                 112.3612(19)
_cell_angle_gamma                114.9700(17)
_cell_formula_units_Z            12
_cell_length_a                   19.7542(4)
_cell_length_b                   20.3725(3)
_cell_length_c                   21.9182(5)
_cell_measurement_reflns_used    9346
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      73.9340
_cell_measurement_theta_min      3.1770
_cell_volume                     6977.9(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2015)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 10.5384
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_unetI/netI     0.0200
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            106159
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.326
_diffrn_reflns_theta_min         2.310
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.028
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96395
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_description       plate
_exptl_crystal_F_000             2640
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.367
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2059
_refine_ls_number_reflns         28031
_refine_ls_number_restraints     354
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0716P)²+1.1137P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1296
_refine_ls_wR_factor_ref         0.1430
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21060
_reflns_number_total             28031
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc04318a2.cif
_cod_data_source_block           DATA-III
_cod_depositor_comments
'Adding full bibliography for 7130861--7130865.cif.'
_cod_database_code               7130864
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.821
_shelx_estimated_absorpt_t_max   0.950
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Si1A Si 1.05239(2) 0.81611(2) 0.52856(2) 0.02434(8) Uani 1 1 d . . . . .
O1A O 0.95079(6) 0.79074(5) 0.25631(5) 0.0324(2) Uani 1 1 d . . . . .
O2A O 1.02999(6) 0.91564(5) 0.32826(5) 0.02777(19) Uani 1 1 d . . . . .
C1A C 1.03996(8) 0.85374(7) 0.45312(7) 0.0279(3) Uani 1 1 d . . . . .
H1A H 1.061028 0.907267 0.462918 0.034 Uiso 1 1 calc R U . . .
C2A C 1.00360(9) 0.81051(8) 0.38680(7) 0.0311(3) Uani 1 1 d . . . . .
H2A H 0.981338 0.756876 0.377394 0.037 Uiso 1 1 calc R U . . .
C3A C 0.97207(9) 0.83715(7) 0.21338(7) 0.0294(3) Uani 1 1 d . . . . .
C4A C 0.99672(8) 0.91743(7) 0.25661(7) 0.0279(3) Uani 1 1 d . . . . .
C5A C 0.89565(11) 0.80264(9) 0.14121(8) 0.0461(4) Uani 1 1 d . . . . .
H5AA H 0.885786 0.753430 0.116739 0.069 Uiso 1 1 calc R U . . .
H5AB H 0.906384 0.837733 0.114585 0.069 Uiso 1 1 calc R U . . .
H5AC H 0.845415 0.794464 0.145683 0.069 Uiso 1 1 calc R U . . .
C6A C 1.04611(11) 0.83502(9) 0.20917(8) 0.0410(3) Uani 1 1 d . . . . .
H6AA H 1.095685 0.859928 0.255869 0.062 Uiso 1 1 calc R U . . .
H6AB H 1.059863 0.862187 0.177711 0.062 Uiso 1 1 calc R U . . .
H6AC H 1.030581 0.781575 0.191210 0.062 Uiso 1 1 calc R U . . .
C7A C 0.92084(11) 0.92790(10) 0.24228(9) 0.0444(4) Uani 1 1 d . . . . .
H7AA H 0.875914 0.882792 0.243125 0.067 Uiso 1 1 calc R U . . .
H7AB H 0.899392 0.933897 0.196229 0.067 Uiso 1 1 calc R U . . .
H7AC H 0.938383 0.973732 0.278250 0.067 Uiso 1 1 calc R U . . .
C8A C 1.06563(10) 0.98459(8) 0.25160(8) 0.0378(3) Uani 1 1 d . . . . .
H8AA H 1.076707 1.032882 0.279222 0.057 Uiso 1 1 calc R U . . .
H8AB H 1.046776 0.982074 0.202623 0.057 Uiso 1 1 calc R U . . .
H8AC H 1.117812 0.982092 0.269718 0.057 Uiso 1 1 calc R U . . .
C11A C 1.02175(8) 0.71313(7) 0.49562(7) 0.0260(2) Uani 1 1 d . . . . .
C12A C 1.08009(8) 0.68789(8) 0.51625(7) 0.0294(3) Uani 1 1 d . . . . .
H12A H 1.137437 0.723343 0.550370 0.035 Uiso 1 1 calc R U . . .
C13A C 1.05576(9) 0.61164(8) 0.48772(8) 0.0329(3) Uani 1 1 d . . . . .
H13A H 1.096498 0.595755 0.502183 0.039 Uiso 1 1 calc R U . . .
C14A C 0.97232(9) 0.55920(8) 0.43838(8) 0.0331(3) Uani 1 1 d . . . . .
H14A H 0.955513 0.507226 0.419010 0.040 Uiso 1 1 calc R U . . .
C15A C 0.91328(9) 0.58302(8) 0.41734(8) 0.0342(3) Uani 1 1 d . . . . .
H15A H 0.855898 0.547231 0.383515 0.041 Uiso 1 1 calc R U . . .
C16A C 0.93793(9) 0.65891(8) 0.44561(7) 0.0307(3) Uani 1 1 d . . . . .
H16A H 0.896916 0.674435 0.430653 0.037 Uiso 1 1 calc R U . . .
C21A C 1.16630(9) 0.87571(7) 0.59907(7) 0.0281(3) Uani 1 1 d . . . . .
C22A C 1.23212(9) 0.88608(8) 0.58382(7) 0.0306(3) Uani 1 1 d . . . . .
H22A H 1.218615 0.861026 0.537979 0.037 Uiso 1 1 calc R U . . .
C23A C 1.31668(9) 0.93227(8) 0.63444(8) 0.0354(3) Uani 1 1 d . . . . .
H23A H 1.360406 0.938631 0.623048 0.042 Uiso 1 1 calc R U . . .
C24A C 1.33739(10) 0.96906(10) 0.70142(8) 0.0434(4) Uani 1 1 d . . . . .
H24A H 1.395296 1.000681 0.736050 0.052 Uiso 1 1 calc R U . . .
C25A C 1.27390(10) 0.95980(11) 0.71787(8) 0.0511(4) Uani 1 1 d . . . . .
H25A H 1.287998 0.984941 0.763895 0.061 Uiso 1 1 calc R U . . .
C26A C 1.18903(10) 0.91355(9) 0.66695(8) 0.0404(3) Uani 1 1 d . . . . .
H26A H 1.145735 0.907687 0.678769 0.049 Uiso 1 1 calc R U . . .
C31A C 0.98074(8) 0.82302(7) 0.56241(6) 0.0264(3) Uani 1 1 d . . . . .
C32A C 0.97220(9) 0.88796(8) 0.56919(7) 0.0317(3) Uani 1 1 d . . . . .
H32A H 1.003423 0.929100 0.556738 0.038 Uiso 1 1 calc R U . . .
C33A C 0.91869(10) 0.89317(8) 0.59387(8) 0.0365(3) Uani 1 1 d . . . . .
H33A H 0.914107 0.937856 0.598624 0.044 Uiso 1 1 calc R U . . .
C34A C 0.87218(9) 0.83332(9) 0.61149(8) 0.0365(3) Uani 1 1 d . . . . .
H34A H 0.835476 0.836789 0.628138 0.044 Uiso 1 1 calc R U . . .
C35A C 0.87918(10) 0.76862(8) 0.60486(8) 0.0376(3) Uani 1 1 d . . . . .
H35A H 0.846991 0.727452 0.616748 0.045 Uiso 1 1 calc R U . . .
C36A C 0.93323(9) 0.76336(8) 0.58081(7) 0.0324(3) Uani 1 1 d . . . . .
H36A H 0.937916 0.718705 0.576850 0.039 Uiso 1 1 calc R U . . .
B1A B 0.99436(9) 0.84006(8) 0.32333(8) 0.0274(3) Uani 1 1 d . . . . .
Si1B Si 0.70874(2) 0.48007(2) 0.52977(2) 0.02606(9) Uani 1 1 d . . . . .
C11B C 0.82382(9) 0.54751(7) 0.59500(7) 0.0286(3) Uani 1 1 d . . . . .
C12B C 0.84941(10) 0.59173(8) 0.66189(7) 0.0361(3) Uani 1 1 d . . . . .
H12B H 0.807569 0.587561 0.675087 0.043 Uiso 1 1 calc R U . . .
C13B C 0.93509(11) 0.64178(9) 0.70955(8) 0.0448(4) Uani 1 1 d . . . . .
H13B H 0.951078 0.671302 0.754668 0.054 Uiso 1 1 calc R U . . .
C14B C 0.99681(10) 0.64850(9) 0.69124(9) 0.0436(4) Uani 1 1 d . . . . .
H14B H 1.055170 0.682461 0.723835 0.052 Uiso 1 1 calc R U . . .
C15B C 0.97354(10) 0.60568(9) 0.62534(9) 0.0395(3) Uani 1 1 d . . . . .
H15B H 1.015879 0.610313 0.612647 0.047 Uiso 1 1 calc R U . . .
C16B C 0.88774(9) 0.55575(8) 0.57766(8) 0.0331(3) Uani 1 1 d . . . . .
H16B H 0.872297 0.526739 0.532522 0.040 Uiso 1 1 calc R U . . .
C21B C 0.63694(9) 0.48037(8) 0.56597(7) 0.0295(3) Uani 1 1 d . . . . .
C22B C 0.61710(10) 0.53855(8) 0.56815(8) 0.0371(3) Uani 1 1 d . . . . .
H22B H 0.642599 0.579853 0.553159 0.044 Uiso 1 1 calc R U . . .
C23B C 0.56052(11) 0.53689(10) 0.59197(9) 0.0441(4) Uani 1 1 d . . . . .
H23B H 0.547808 0.576950 0.592952 0.053 Uiso 1 1 calc R U . . .
C24B C 0.52289(10) 0.47784(10) 0.61407(8) 0.0428(4) Uani 1 1 d . . . . .
H24B H 0.484449 0.477182 0.630341 0.051 Uiso 1 1 calc R U . . .
C25B C 0.54121(11) 0.41936(9) 0.61253(9) 0.0431(4) Uani 1 1 d . . . . .
H25B H 0.515480 0.378443 0.627818 0.052 Uiso 1 1 calc R U . . .
C26B C 0.59762(10) 0.42077(8) 0.58844(8) 0.0373(3) Uani 1 1 d . . . . .
H26B H 0.609611 0.380259 0.587277 0.045 Uiso 1 1 calc R U . . .
C31B C 0.68618(8) 0.37911(7) 0.50125(6) 0.0261(2) Uani 1 1 d . . . . .
C32B C 0.60371(9) 0.32212(8) 0.45021(7) 0.0310(3) Uani 1 1 d . . . . .
H32B H 0.560784 0.335144 0.432788 0.037 Uiso 1 1 calc R U . . .
C33B C 0.58359(9) 0.24729(8) 0.42472(7) 0.0336(3) Uani 1 1 d . . . . .
H33B H 0.527297 0.209534 0.390163 0.040 Uiso 1 1 calc R U . . .
C34B C 0.64563(9) 0.22736(7) 0.44962(7) 0.0325(3) Uani 1 1 d . . . . .
H34B H 0.631974 0.176059 0.432006 0.039 Uiso 1 1 calc R U . . .
C35B C 0.72751(9) 0.28257(8) 0.50023(7) 0.0308(3) Uani 1 1 d . . . . .
H35B H 0.770103 0.269118 0.517436 0.037 Uiso 1 1 calc R U . . .
C36B C 0.74745(8) 0.35781(7) 0.52593(7) 0.0278(3) Uani 1 1 d . . . . .
H36B H 0.803696 0.395223 0.560842 0.033 Uiso 1 1 calc R U . . .
O1B O 0.74420(7) 0.62221(7) 0.33988(6) 0.0329(2) Uani 0.8809(8) 1 d . . P A 1
O2B O 0.60940(7) 0.53080(6) 0.31047(6) 0.0332(2) Uani 0.8809(8) 1 d . . P A 1
C1B C 0.67674(17) 0.50409(14) 0.44800(13) 0.0253(5) Uani 0.8809(8) 1 d . . P A 1
H1B H 0.620300 0.469782 0.411631 0.030 Uiso 0.8809(8) 1 calc R U P A 1
C2B C 0.72441(10) 0.56451(9) 0.43446(8) 0.0285(3) Uani 0.8809(8) 1 d . . P A 1
H2B H 0.779418 0.602700 0.470742 0.034 Uiso 0.8809(8) 1 calc R U P A 1
C3B C 0.69471(13) 0.59962(13) 0.26383(12) 0.0301(4) Uani 0.8809(8) 1 d . . P A 1
C4B C 0.60207(11) 0.55987(9) 0.25196(8) 0.0312(3) Uani 0.8809(8) 1 d . . P A 1
C5B C 0.71480(16) 0.54464(14) 0.23208(12) 0.0572(6) Uani 0.8809(8) 1 d . . P A 1
H5BA H 0.697181 0.499171 0.246555 0.086 Uiso 0.8809(8) 1 calc R U P A 1
H5BB H 0.776065 0.570070 0.248185 0.086 Uiso 0.8809(8) 1 calc R U P A 1
H5BC H 0.684147 0.529145 0.180987 0.086 Uiso 0.8809(8) 1 calc R U P A 1
C6B C 0.72241(16) 0.67099(13) 0.24256(13) 0.0448(6) Uani 0.8809(8) 1 d . . P A 1
H6BA H 0.685266 0.657705 0.192657 0.067 Uiso 0.8809(8) 1 calc R U P A 1
H6BB H 0.781222 0.691501 0.251519 0.067 Uiso 0.8809(8) 1 calc R U P A 1
H6BC H 0.718582 0.709763 0.269797 0.067 Uiso 0.8809(8) 1 calc R U P A 1
C7B C 0.53794(14) 0.49284(11) 0.18536(9) 0.0547(5) Uani 0.8809(8) 1 d . . P A 1
H7BA H 0.537549 0.509815 0.145259 0.082 Uiso 0.8809(8) 1 calc R U P A 1
H7BB H 0.481389 0.472230 0.181803 0.082 Uiso 0.8809(8) 1 calc R U P A 1
H7BC H 0.553136 0.452843 0.185665 0.082 Uiso 0.8809(8) 1 calc R U P A 1
C8B C 0.57143(13) 0.61662(14) 0.25938(12) 0.0483(5) Uani 0.8809(8) 1 d . . P A 1
H8BA H 0.614900 0.660751 0.302029 0.072 Uiso 0.8809(8) 1 calc R U P A 1
H8BB H 0.518562 0.591208 0.262103 0.072 Uiso 0.8809(8) 1 calc R U P A 1
H8BC H 0.561233 0.634163 0.218741 0.072 Uiso 0.8809(8) 1 calc R U P A 1
B1B B 0.69211(11) 0.57352(10) 0.36139(10) 0.0248(3) Uani 0.8809(8) 1 d . . P A 1
O1B' O 0.6128(6) 0.4595(5) 0.2581(5) 0.046(2) Uani 0.1191(8) 1 d . . P A 2
O2B' O 0.6989(8) 0.5852(6) 0.3335(7) 0.044(2) Uani 0.1191(8) 1 d . . P A 2
C1B' C 0.7013(13) 0.5268(10) 0.4515(12) 0.027(4) Uani 0.1191(8) 1 d . . P A 2
H1B' H 0.721806 0.580135 0.460242 0.032 Uiso 0.1191(8) 1 calc R U P A 2
C2B' C 0.6671(8) 0.4800(7) 0.3894(7) 0.039(2) Uani 0.1191(8) 1 d . . P A 2
H2B' H 0.648601 0.427199 0.382893 0.047 Uiso 0.1191(8) 1 calc R U P A 2
C3B' C 0.6370(9) 0.5032(8) 0.2159(8) 0.045(2) Uani 0.1191(8) 1 d . . P A 2
C4B' C 0.6646(18) 0.5860(14) 0.2603(14) 0.057(4) Uani 0.1191(8) 1 d . . P A 2
C5B' C 0.5642(10) 0.4730(10) 0.1444(9) 0.058(4) Uani 0.1191(8) 1 d . . P A 2
H5BD H 0.550264 0.421908 0.119908 0.087 Uiso 0.1191(8) 1 calc R U P A 2
H5BE H 0.579646 0.507641 0.118385 0.087 Uiso 0.1191(8) 1 calc R U P A 2
H5BF H 0.514794 0.469474 0.147705 0.087 Uiso 0.1191(8) 1 calc R U P A 2
C6B' C 0.7082(11) 0.4947(10) 0.2116(9) 0.058(4) Uani 0.1191(8) 1 d . . P A 2
H6BD H 0.760161 0.524185 0.256733 0.087 Uiso 0.1191(8) 1 calc R U P A 2
H6BE H 0.718554 0.513979 0.175239 0.087 Uiso 0.1191(8) 1 calc R U P A 2
H6BF H 0.691791 0.440423 0.200043 0.087 Uiso 0.1191(8) 1 calc R U P A 2
C7B' C 0.5881(15) 0.5993(12) 0.2438(9) 0.067(5) Uani 0.1191(8) 1 d . . P A 2
H7BD H 0.540089 0.553540 0.240531 0.101 Uiso 0.1191(8) 1 calc R U P A 2
H7BE H 0.571241 0.609313 0.199272 0.101 Uiso 0.1191(8) 1 calc R U P A 2
H7BF H 0.604921 0.643496 0.281227 0.101 Uiso 0.1191(8) 1 calc R U P A 2
C8B' C 0.7361(15) 0.6501(11) 0.2533(9) 0.056(4) Uani 0.1191(8) 1 d . . P A 2
H8BD H 0.745784 0.700099 0.275586 0.084 Uiso 0.1191(8) 1 calc R U P A 2
H8BE H 0.719564 0.642563 0.203665 0.084 Uiso 0.1191(8) 1 calc R U P A 2
H8BF H 0.788469 0.648481 0.276117 0.084 Uiso 0.1191(8) 1 calc R U P A 2
B1B' B 0.6553(10) 0.5089(8) 0.3229(8) 0.041(3) Uani 0.1191(8) 1 d . . P A 2
Si1C Si 0.35569(2) 0.13157(2) 0.52383(2) 0.02475(8) Uani 1 1 d . . . . .
C11C C 0.47016(8) 0.19564(7) 0.59133(7) 0.0277(3) Uani 1 1 d . . . . .
C12C C 0.49475(9) 0.23134(8) 0.66063(7) 0.0361(3) Uani 1 1 d . . . . .
H12C H 0.452412 0.224113 0.674105 0.043 Uiso 1 1 calc R U . . .
C13C C 0.58009(10) 0.27726(9) 0.71021(8) 0.0459(4) Uani 1 1 d . . . . .
H13C H 0.595678 0.300989 0.757108 0.055 Uiso 1 1 calc R U . . .
C14C C 0.64230(10) 0.28830(9) 0.69102(9) 0.0442(4) Uani 1 1 d . . . . .
H14C H 0.700598 0.319403 0.724930 0.053 Uiso 1 1 calc R U . . .
C15C C 0.61988(9) 0.25422(8) 0.62270(8) 0.0382(3) Uani 1 1 d . . . . .
H15C H 0.662655 0.262186 0.609595 0.046 Uiso 1 1 calc R U . . .
C16C C 0.53455(9) 0.20827(8) 0.57327(7) 0.0313(3) Uani 1 1 d . . . . .
H16C H 0.519527 0.185001 0.526431 0.038 Uiso 1 1 calc R U . . .
C21C C 0.28349(8) 0.13380(7) 0.55900(7) 0.0280(3) Uani 1 1 d . . . . .
C22C C 0.26785(10) 0.19469(8) 0.56223(8) 0.0375(3) Uani 1 1 d . . . . .
H22C H 0.294811 0.235285 0.547157 0.045 Uiso 1 1 calc R U . . .
C23C C 0.21337(11) 0.19667(10) 0.58719(8) 0.0460(4) Uani 1 1 d . . . . .
H23C H 0.203353 0.238368 0.588952 0.055 Uiso 1 1 calc R U . . .
C24C C 0.17399(10) 0.13829(10) 0.60932(8) 0.0438(4) Uani 1 1 d . . . . .
H24C H 0.136592 0.139629 0.626078 0.053 Uiso 1 1 calc R U . . .
C25C C 0.18876(10) 0.07788(9) 0.60718(8) 0.0408(3) Uani 1 1 d . . . . .
H25C H 0.161859 0.037811 0.622761 0.049 Uiso 1 1 calc R U . . .
C26C C 0.24326(9) 0.07565(8) 0.58211(7) 0.0330(3) Uani 1 1 d . . . . .
H26C H 0.253100 0.033835 0.580774 0.040 Uiso 1 1 calc R U . . .
C31C C 0.33210(8) 0.03050(7) 0.49290(6) 0.0253(2) Uani 1 1 d . . . . .
C32C C 0.24912(8) -0.02756(7) 0.44399(7) 0.0289(3) Uani 1 1 d . . . . .
H32C H 0.204808 -0.016001 0.429472 0.035 Uiso 1 1 calc R U . . .
C33C C 0.23046(9) -0.10167(8) 0.41635(7) 0.0317(3) Uani 1 1 d . . . . .
H33C H 0.173718 -0.140335 0.383562 0.038 Uiso 1 1 calc R U . . .
C34C C 0.29453(9) -0.11928(7) 0.43655(7) 0.0316(3) Uani 1 1 d . . . . .
H34C H 0.281853 -0.169782 0.417015 0.038 Uiso 1 1 calc R U . . .
C35C C 0.37717(9) -0.06317(8) 0.48530(7) 0.0321(3) Uani 1 1 d . . . . .
H35C H 0.421076 -0.075251 0.499533 0.039 Uiso 1 1 calc R U . . .
C36C C 0.39555(8) 0.01120(7) 0.51337(7) 0.0290(3) Uani 1 1 d . . . . .
H36C H 0.452165 0.049329 0.546960 0.035 Uiso 1 1 calc R U . . .
O1C O 0.40735(8) 0.28442(7) 0.34332(6) 0.0275(2) Uani 0.8809(8) 1 d . . P A 1
O2C O 0.27058(7) 0.19073(6) 0.30716(6) 0.0325(2) Uani 0.8809(8) 1 d . . P A 1
C1C C 0.32959(14) 0.15918(12) 0.44363(10) 0.0254(4) Uani 0.8809(8) 1 d . . P A 1
H1C H 0.274543 0.125076 0.405224 0.030 Uiso 0.8809(8) 1 calc R U P A 1
C2C C 0.37930(10) 0.22170(9) 0.43343(8) 0.0292(3) Uani 0.8809(8) 1 d . . P A 1
H2C H 0.432830 0.259732 0.471639 0.035 Uiso 0.8809(8) 1 calc R U P A 1
C3C C 0.36256(13) 0.26419(11) 0.26712(10) 0.0268(4) Uani 0.8809(8) 1 d . . P A 1
C4C C 0.26788(11) 0.22208(9) 0.25027(8) 0.0304(3) Uani 0.8809(8) 1 d . . P A 1
C5C C 0.38742(13) 0.21229(11) 0.23749(11) 0.0439(4) Uani 0.8809(8) 1 d . . P A 1
H5CA H 0.449400 0.238714 0.257650 0.066 Uiso 0.8809(8) 1 calc R U P A 1
H5CB H 0.361465 0.199581 0.186573 0.066 Uiso 0.8809(8) 1 calc R U P A 1
H5CC H 0.367450 0.165037 0.249116 0.066 Uiso 0.8809(8) 1 calc R U P A 1
C6C C 0.39267(18) 0.33754(12) 0.24877(14) 0.0350(5) Uani 0.8809(8) 1 d . . P A 1
H6CA H 0.382757 0.373452 0.272814 0.053 Uiso 0.8809(8) 1 calc R U P A 1
H6CB H 0.361097 0.325334 0.198130 0.053 Uiso 0.8809(8) 1 calc R U P A 1
H6CC H 0.453510 0.361032 0.263555 0.053 Uiso 0.8809(8) 1 calc R U P A 1
C7C C 0.23402(13) 0.27640(14) 0.25476(13) 0.0460(5) Uani 0.8809(8) 1 d . . P A 1
H7CA H 0.179011 0.248903 0.253772 0.069 Uiso 0.8809(8) 1 calc R U P A 1
H7CB H 0.226991 0.295311 0.214958 0.069 Uiso 0.8809(8) 1 calc R U P A 1
H7CC H 0.274322 0.319845 0.298429 0.069 Uiso 0.8809(8) 1 calc R U P A 1
C8C C 0.20851(13) 0.15600(11) 0.18198(10) 0.0522(5) Uani 0.8809(8) 1 d . . P A 1
H8CA H 0.225442 0.117160 0.183458 0.078 Uiso 0.8809(8) 1 calc R U P A 1
H8CB H 0.211384 0.174841 0.143380 0.078 Uiso 0.8809(8) 1 calc R U P A 1
H8CC H 0.150222 0.133192 0.174850 0.078 Uiso 0.8809(8) 1 calc R U P A 1
B1C B 0.35165(11) 0.23348(9) 0.36085(10) 0.0264(5) Uani 0.891(7) 1 d . . . A 1
O1C' O 0.2809(6) 0.1238(5) 0.2554(5) 0.044(2) Uani 0.1191(8) 1 d . . P A 2
O2C' O 0.3626(8) 0.2505(7) 0.3320(6) 0.0375(19) Uani 0.1191(8) 1 d . . P A 2
C1C' C 0.3561(10) 0.1821(9) 0.4494(9) 0.026(3) Uani 0.1191(8) 1 d . U P A 2
H1C' H 0.377251 0.235773 0.461018 0.031 Uiso 0.1191(8) 1 calc R U P A 2
C2C' C 0.3266(9) 0.1398(8) 0.3841(7) 0.042(3) Uani 0.1191(8) 1 d . . P A 2
H2C' H 0.307936 0.086756 0.375105 0.051 Uiso 0.1191(8) 1 calc R U P A 2
C3C' C 0.3056(8) 0.1709(7) 0.2151(6) 0.038(2) Uani 0.1191(8) 1 d . . P A 2
C4C' C 0.3262(12) 0.2502(10) 0.2574(9) 0.037(3) Uani 0.1191(8) 1 d . . P A 2
C5C' C 0.2315(9) 0.1396(8) 0.1413(7) 0.051(3) Uani 0.1191(8) 1 d . . P A 2
H5CD H 0.178541 0.123496 0.143643 0.077 Uiso 0.1191(8) 1 calc R U P A 2
H5CE H 0.227429 0.095549 0.113357 0.077 Uiso 0.1191(8) 1 calc R U P A 2
H5CF H 0.241090 0.179759 0.119564 0.077 Uiso 0.1191(8) 1 calc R U P A 2
C6C' C 0.3764(10) 0.1685(9) 0.2100(9) 0.052(3) Uani 0.1191(8) 1 d . . P A 2
H6CD H 0.421698 0.181937 0.256936 0.078 Uiso 0.1191(8) 1 calc R U P A 2
H6CE H 0.398444 0.205156 0.187661 0.078 Uiso 0.1191(8) 1 calc R U P A 2
H6CF H 0.356509 0.116636 0.181948 0.078 Uiso 0.1191(8) 1 calc R U P A 2
C7C' C 0.2514(12) 0.2609(11) 0.2431(9) 0.049(4) Uani 0.1191(8) 1 d . . P A 2
H7CD H 0.208216 0.218014 0.247835 0.073 Uiso 0.1191(8) 1 calc R U P A 2
H7CE H 0.227083 0.262447 0.195443 0.073 Uiso 0.1191(8) 1 calc R U P A 2
H7CF H 0.270040 0.309130 0.276567 0.073 Uiso 0.1191(8) 1 calc R U P A 2
C8C' C 0.3936(16) 0.3149(10) 0.2533(12) 0.042(4) Uani 0.1191(8) 1 d . . P A 2
H8CD H 0.401013 0.363095 0.277169 0.063 Uiso 0.1191(8) 1 calc R U P A 2
H8CE H 0.377750 0.309932 0.204135 0.063 Uiso 0.1191(8) 1 calc R U P A 2
H8CF H 0.446920 0.314754 0.275791 0.063 Uiso 0.1191(8) 1 calc R U P A 2
B1C' B 0.3202(10) 0.1710(9) 0.3211(8) 0.039(3) Uani 0.1191(8) 1 d . . P A 2
Si1D Si 0.97663(2) 0.69768(2) -0.02762(2) 0.02634(9) Uani 1 1 d . . . . .
O1D O 0.92670(6) 0.54490(6) 0.15339(5) 0.0347(2) Uani 1 1 d . . . . .
O2D O 1.06265(6) 0.63837(6) 0.18836(5) 0.0358(2) Uani 1 1 d . . . . .
C1D C 1.00250(8) 0.66915(7) 0.05268(7) 0.0286(3) Uani 1 1 d . . . . .
H1D H 1.057494 0.703185 0.091178 0.034 Uiso 1 1 calc R U . . .
C2D C 0.95332(9) 0.60691(8) 0.06265(7) 0.0333(3) Uani 1 1 d . . . . .
H2D H 0.899921 0.568758 0.024375 0.040 Uiso 1 1 calc R U . . .
C3D C 0.97188(9) 0.56638(8) 0.22962(7) 0.0321(3) Uani 1 1 d . . . . .
C4D C 1.06603(9) 0.60764(8) 0.24567(7) 0.0328(3) Uani 1 1 d . . . . .
C5D C 0.94317(11) 0.49484(9) 0.25034(9) 0.0458(4) Uani 1 1 d . . . . .
H5DA H 0.883075 0.472595 0.237971 0.069 Uiso 1 1 calc R U . . .
H5DB H 0.977241 0.508399 0.300882 0.069 Uiso 1 1 calc R U . . .
H5DC H 0.950683 0.457348 0.225558 0.069 Uiso 1 1 calc R U . . .
C6D C 0.94828(14) 0.62003(12) 0.25864(11) 0.0596(5) Uani 1 1 d . . . . .
H6DA H 0.968468 0.666576 0.246036 0.089 Uiso 1 1 calc R U . . .
H6DB H 0.974761 0.633834 0.309663 0.089 Uiso 1 1 calc R U . . .
H6DC H 0.886379 0.594282 0.238941 0.089 Uiso 1 1 calc R U . . .
C7D C 1.09892(11) 0.55263(11) 0.24080(10) 0.0503(4) Uani 1 1 d . . . . .
H7DA H 1.057957 0.509049 0.197301 0.075 Uiso 1 1 calc R U . . .
H7DB H 1.106294 0.534013 0.280779 0.075 Uiso 1 1 calc R U . . .
H7DC H 1.153633 0.579516 0.241181 0.075 Uiso 1 1 calc R U . . .
C8D C 1.12671(12) 0.67382(10) 0.31345(9) 0.0570(5) Uani 1 1 d . . . . .
H8DA H 1.184748 0.695072 0.320210 0.085 Uiso 1 1 calc R U . . .
H8DB H 1.123546 0.655727 0.352327 0.085 Uiso 1 1 calc R U . . .
H8DC H 1.111287 0.713663 0.311866 0.085 Uiso 1 1 calc R U . . .
C11D C 0.86228(9) 0.63063(7) -0.09413(7) 0.0299(3) Uani 1 1 d . . . . .
C12D C 0.79777(9) 0.61852(8) -0.07614(8) 0.0348(3) Uani 1 1 d . . . . .
H12D H 0.812737 0.644517 -0.030086 0.042 Uiso 1 1 calc R U . . .
C13D C 0.71241(10) 0.56914(9) -0.12458(9) 0.0424(3) Uani 1 1 d . . . . .
H13D H 0.669621 0.562025 -0.111709 0.051 Uiso 1 1 calc R U . . .
C14D C 0.69016(10) 0.53046(10) -0.19157(9) 0.0487(4) Uani 1 1 d . . . . .
H14D H 0.631982 0.496617 -0.224719 0.058 Uiso 1 1 calc R U . . .
C15D C 0.75300(11) 0.54109(10) -0.21048(9) 0.0491(4) Uani 1 1 d . . . . .
H15D H 0.737663 0.514315 -0.256406 0.059 Uiso 1 1 calc R U . . .
C16D C 0.83793(10) 0.59082(8) -0.16214(8) 0.0381(3) Uani 1 1 d . . . . .
H16D H 0.880320 0.597944 -0.175518 0.046 Uiso 1 1 calc R U . . .
C21D C 0.99779(9) 0.79790(7) 0.00238(7) 0.0277(3) Uani 1 1 d . . . . .
C22D C 0.93361(9) 0.81640(8) -0.01915(7) 0.0310(3) Uani 1 1 d . . . . .
H22D H 0.877187 0.777779 -0.052686 0.037 Uiso 1 1 calc R U . . .
C23D C 0.95114(10) 0.89056(8) 0.00781(8) 0.0358(3) Uani 1 1 d . . . . .
H23D H 0.906827 0.902099 -0.007162 0.043 Uiso 1 1 calc R U . . .
C24D C 1.03337(10) 0.94740(8) 0.05652(8) 0.0356(3) Uani 1 1 d . . . . .
H24D H 1.045359 0.997847 0.075231 0.043 Uiso 1 1 calc R U . . .
C25D C 1.09835(10) 0.93056(8) 0.07800(7) 0.0357(3) Uani 1 1 d . . . . .
H25D H 1.154830 0.969675 0.110894 0.043 Uiso 1 1 calc R U . . .
C26D C 1.08066(9) 0.85675(8) 0.05140(7) 0.0329(3) Uani 1 1 d . . . . .
H26D H 1.125363 0.845714 0.066586 0.039 Uiso 1 1 calc R U . . .
C31D C 1.04983(8) 0.69859(7) -0.06279(7) 0.0286(3) Uani 1 1 d . . . . .
C32D C 1.08741(9) 0.75762(8) -0.08661(8) 0.0345(3) Uani 1 1 d . . . . .
H32D H 1.074533 0.797578 -0.086148 0.041 Uiso 1 1 calc R U . . .
C33D C 1.14339(10) 0.75875(9) -0.11098(8) 0.0413(3) Uani 1 1 d . . . . .
H33D H 1.168015 0.799090 -0.127259 0.050 Uiso 1 1 calc R U . . .
C34D C 1.16318(10) 0.70125(9) -0.11154(8) 0.0418(3) Uani 1 1 d . . . . .
H34D H 1.201783 0.702285 -0.127750 0.050 Uiso 1 1 calc R U . . .
C35D C 1.12652(11) 0.64213(9) -0.08837(8) 0.0421(4) Uani 1 1 d . . . . .
H35D H 1.139796 0.602422 -0.088879 0.051 Uiso 1 1 calc R U . . .
C36D C 1.07040(10) 0.64086(8) -0.06440(7) 0.0354(3) Uani 1 1 d . . . . .
H36D H 1.045482 0.599949 -0.048794 0.043 Uiso 1 1 calc R U . . .
B1D B 0.98102(9) 0.59515(8) 0.13516(8) 0.0276(3) Uani 1 1 d . . . . .
Si1E Si 0.61390(2) 0.34656(2) -0.03087(2) 0.02324(8) Uani 1 1 d . . . . .
C11E C 0.64202(8) 0.44911(7) -0.00062(6) 0.0244(2) Uani 1 1 d . . . . .
C12E C 0.72629(8) 0.50506(8) 0.04817(7) 0.0294(3) Uani 1 1 d . . . . .
H12E H 0.768244 0.490671 0.063729 0.035 Uiso 1 1 calc R U . . .
C13E C 0.74933(9) 0.58092(8) 0.07403(7) 0.0329(3) Uani 1 1 d . . . . .
H13E H 0.806623 0.617880 0.107182 0.039 Uiso 1 1 calc R U . . .
C14E C 0.68903(9) 0.60301(8) 0.05166(8) 0.0335(3) Uani 1 1 d . . . . .
H14E H 0.704895 0.655004 0.069473 0.040 Uiso 1 1 calc R U . . .
C15E C 0.60551(9) 0.54900(8) 0.00322(8) 0.0331(3) Uani 1 1 d . . . . .
H15E H 0.564069 0.563981 -0.012302 0.040 Uiso 1 1 calc R U . . .
C16E C 0.58235(8) 0.47280(7) -0.02268(7) 0.0290(3) Uani 1 1 d . . . . .
H16E H 0.524973 0.436216 -0.055936 0.035 Uiso 1 1 calc R U . . .
C21E C 0.68523(8) 0.34180(7) -0.06594(6) 0.0261(2) Uani 1 1 d . . . . .
C22E C 0.72896(9) 0.40144(8) -0.08615(8) 0.0345(3) Uani 1 1 d . . . . .
H22E H 0.721617 0.444659 -0.082908 0.041 Uiso 1 1 calc R U . . .
C23E C 0.78331(10) 0.39845(9) -0.11105(8) 0.0403(3) Uani 1 1 d . . . . .
H23E H 0.812559 0.439435 -0.124680 0.048 Uiso 1 1 calc R U . . .
C24E C 0.79459(9) 0.33619(9) -0.11589(8) 0.0394(3) Uani 1 1 d . . . . .
H24E H 0.831818 0.334363 -0.132645 0.047 Uiso 1 1 calc R U . . .
C25E C 0.75167(10) 0.27615(9) -0.09635(8) 0.0391(3) Uani 1 1 d . . . . .
H25E H 0.759275 0.233083 -0.099968 0.047 Uiso 1 1 calc R U . . .
C26E C 0.69744(9) 0.27892(8) -0.07144(7) 0.0336(3) Uani 1 1 d . . . . .
H26E H 0.668366 0.237641 -0.058004 0.040 Uiso 1 1 calc R U . . .
C31E C 0.49934(8) 0.28245(7) -0.09910(7) 0.0258(2) Uani 1 1 d . . . . .
C32E C 0.47569(9) 0.23864(8) -0.16540(7) 0.0336(3) Uani 1 1 d . . . . .
H32E H 0.518485 0.243448 -0.177537 0.040 Uiso 1 1 calc R U . . .
C33E C 0.39038(10) 0.18794(9) -0.21412(8) 0.0426(4) Uani 1 1 d . . . . .
H33E H 0.375513 0.158912 -0.259042 0.051 Uiso 1 1 calc R U . . .
C34E C 0.32761(9) 0.18011(9) -0.19682(8) 0.0418(3) Uani 1 1 d . . . . .
H34E H 0.269579 0.145319 -0.229776 0.050 Uiso 1 1 calc R U . . .
C35E C 0.34913(9) 0.22286(9) -0.13159(8) 0.0366(3) Uani 1 1 d . . . . .
H35E H 0.305881 0.217774 -0.119979 0.044 Uiso 1 1 calc R U . . .
C36E C 0.43423(9) 0.27331(8) -0.08303(7) 0.0300(3) Uani 1 1 d . . . . .
H36E H 0.448475 0.302045 -0.038225 0.036 Uiso 1 1 calc R U . . .
O1E O 0.72062(7) 0.37548(6) 0.24285(5) 0.0318(2) Uani 0.8809(8) 1 d . . P A 1
O2E O 0.63590(8) 0.25049(7) 0.17046(6) 0.0282(2) Uani 0.8809(8) 1 d . . P A 1
C1E C 0.6289(3) 0.3112(2) 0.0466(2) 0.0277(7) Uani 0.8809(8) 1 d . . P A 1
H1E H 0.607381 0.257658 0.037670 0.033 Uiso 0.8809(8) 1 calc R U P A 1
C2E C 0.66685(10) 0.35507(9) 0.11212(8) 0.0295(3) Uani 0.8809(8) 1 d . . P A 1
H2E H 0.691150 0.408852 0.121254 0.035 Uiso 0.8809(8) 1 calc R U P A 1
C3E C 0.69569(10) 0.32992(8) 0.28528(7) 0.0283(3) Uani 0.8809(8) 1 d . . P A 1
C4E C 0.66715(14) 0.24813(14) 0.24204(12) 0.0286(5) Uani 0.8809(8) 1 d . . P A 1
C5E C 0.62420(12) 0.33743(10) 0.28913(9) 0.0395(4) Uani 0.8809(8) 1 d . . P A 1
H5EA H 0.643248 0.391835 0.307518 0.059 Uiso 0.8809(8) 1 calc R U P A 1
H5EB H 0.607968 0.310940 0.320113 0.059 Uiso 0.8809(8) 1 calc R U P A 1
H5EC H 0.575138 0.314376 0.242267 0.059 Uiso 0.8809(8) 1 calc R U P A 1
C6E C 0.77075(12) 0.36207(10) 0.35788(9) 0.0446(4) Uani 0.8809(8) 1 d . . P A 1
H6EA H 0.819939 0.365465 0.354157 0.067 Uiso 0.8809(8) 1 calc R U P A 1
H6EB H 0.756259 0.328194 0.384713 0.067 Uiso 0.8809(8) 1 calc R U P A 1
H6EC H 0.784557 0.413316 0.381675 0.067 Uiso 0.8809(8) 1 calc R U P A 1
C7E C 0.59469(15) 0.18358(11) 0.24653(11) 0.0395(4) Uani 0.8809(8) 1 d . . P A 1
H7EA H 0.544438 0.189048 0.227793 0.059 Uiso 0.8809(8) 1 calc R U P A 1
H7EB H 0.612095 0.186377 0.295463 0.059 Uiso 0.8809(8) 1 calc R U P A 1
H7EC H 0.581075 0.133919 0.219206 0.059 Uiso 0.8809(8) 1 calc R U P A 1
C8E C 0.73950(13) 0.23236(12) 0.25647(11) 0.0455(4) Uani 0.8809(8) 1 d . . P A 1
H8EA H 0.719567 0.185658 0.220213 0.068 Uiso 0.8809(8) 1 calc R U P A 1
H8EB H 0.758865 0.225470 0.302289 0.068 Uiso 0.8809(8) 1 calc R U P A 1
H8EC H 0.786691 0.275776 0.256217 0.068 Uiso 0.8809(8) 1 calc R U P A 1
B1E B 0.67514(11) 0.32596(9) 0.17575(9) 0.0265(3) Uani 0.8809(8) 1 d . . P A 1
O1E' O 0.5863(6) 0.2105(6) 0.1593(5) 0.044(2) Uani 0.1191(8) 1 d . . P A 2
O2E' O 0.7205(5) 0.3014(5) 0.1902(5) 0.043(2) Uani 0.1191(8) 1 d . . P A 2
C1E' C 0.641(3) 0.321(2) 0.042(2) 0.036(5) Uani 0.1191(8) 1 d . . P A 2
H1E' H 0.698371 0.355526 0.075474 0.043 Uiso 0.1191(8) 1 calc R U P A 2
C2E' C 0.6045(8) 0.2679(8) 0.0646(7) 0.038(3) Uani 0.1191(8) 1 d . . P A 2
H2E' H 0.548391 0.228432 0.031315 0.045 Uiso 0.1191(8) 1 calc R U P A 2
C3E' C 0.6386(12) 0.2330(13) 0.2376(11) 0.033(3) Uani 0.1191(8) 1 d . . P A 2
C4E' C 0.7281(8) 0.2736(8) 0.2493(6) 0.037(2) Uani 0.1191(8) 1 d . . P A 2
C5E' C 0.6099(13) 0.1601(11) 0.2553(10) 0.053(4) Uani 0.1191(8) 1 d . . P A 2
H5ED H 0.548847 0.135521 0.239972 0.080 Uiso 0.1191(8) 1 calc R U P A 2
H5EE H 0.641056 0.172133 0.305926 0.080 Uiso 0.1191(8) 1 calc R U P A 2
H5EF H 0.621042 0.125164 0.231442 0.080 Uiso 0.1191(8) 1 calc R U P A 2
C6E' C 0.6194(15) 0.2915(13) 0.2691(10) 0.075(5) Uani 0.1191(8) 1 d . . P A 2
H6ED H 0.671415 0.332282 0.310422 0.112 Uiso 0.1191(8) 1 calc R U P A 2
H6EE H 0.575701 0.265126 0.282514 0.112 Uiso 0.1191(8) 1 calc R U P A 2
H6EF H 0.599141 0.314024 0.234159 0.112 Uiso 0.1191(8) 1 calc R U P A 2
C7E' C 0.7579(12) 0.2134(11) 0.2387(9) 0.056(4) Uani 0.1191(8) 1 d . . P A 2
H7ED H 0.709661 0.165777 0.201256 0.084 Uiso 0.1191(8) 1 calc R U P A 2
H7EE H 0.778945 0.202419 0.282260 0.084 Uiso 0.1191(8) 1 calc R U P A 2
H7EF H 0.803380 0.234969 0.226095 0.084 Uiso 0.1191(8) 1 calc R U P A 2
C8E' C 0.7944(11) 0.3379(8) 0.3121(8) 0.061(4) Uani 0.1191(8) 1 d . . P A 2
H8ED H 0.849605 0.353341 0.314090 0.092 Uiso 0.1191(8) 1 calc R U P A 2
H8EE H 0.794505 0.323033 0.353096 0.092 Uiso 0.1191(8) 1 calc R U P A 2
H8EF H 0.784217 0.380972 0.311925 0.092 Uiso 0.1191(8) 1 calc R U P A 2
B1E' B 0.6387(9) 0.2581(9) 0.1386(9) 0.035(3) Uani 0.1191(8) 1 d . . P A 2
Si1F Si 0.29812(2) 0.02734(2) -0.02445(2) 0.02896(9) Uani 1 1 d . . . . .
C11F C 0.32755(9) 0.12996(7) 0.00904(7) 0.0285(3) Uani 1 1 d . . . . .
C12F C 0.41211(9) 0.18698(8) 0.05589(7) 0.0326(3) Uani 1 1 d . . . . .
H12F H 0.455157 0.173803 0.069020 0.039 Uiso 1 1 calc R U . . .
C13F C 0.43401(9) 0.26231(8) 0.08339(7) 0.0345(3) Uani 1 1 d . . . . .
H13F H 0.491645 0.300135 0.114765 0.041 Uiso 1 1 calc R U . . .
C14F C 0.37170(10) 0.28235(8) 0.06504(7) 0.0336(3) Uani 1 1 d . . . . .
H14F H 0.386686 0.333805 0.084098 0.040 Uiso 1 1 calc R U . . .
C15F C 0.28759(9) 0.22723(8) 0.01890(8) 0.0340(3) Uani 1 1 d . . . . .
H15F H 0.244868 0.240795 0.006364 0.041 Uiso 1 1 calc R U . . .
C16F C 0.26603(9) 0.15182(8) -0.00901(7) 0.0318(3) Uani 1 1 d . . . . .
H16F H 0.208410 0.114469 -0.040943 0.038 Uiso 1 1 calc R U . . .
C21F C 0.36960(9) 0.02023(8) -0.05799(7) 0.0311(3) Uani 1 1 d . . . . .
C22F C 0.41776(10) 0.07913(8) -0.07658(7) 0.0359(3) Uani 1 1 d . . . . .
H22F H 0.414175 0.124350 -0.072602 0.043 Uiso 1 1 calc R U . . .
C23F C 0.47088(10) 0.07217(9) -0.10086(8) 0.0419(3) Uani 1 1 d . . . . .
H23F H 0.503351 0.112507 -0.113327 0.050 Uiso 1 1 calc R U . . .
C24F C 0.47636(10) 0.00608(10) -0.10684(8) 0.0440(4) Uani 1 1 d . . . . .
H24F H 0.513227 0.001637 -0.122775 0.053 Uiso 1 1 calc R U . . .
C25F C 0.42826(11) -0.05322(9) -0.08964(8) 0.0437(4) Uani 1 1 d . . . . .
H25F H 0.431350 -0.098677 -0.094600 0.052 Uiso 1 1 calc R U . . .
C26F C 0.37549(10) -0.04630(9) -0.06513(8) 0.0388(3) Uani 1 1 d . . . . .
H26F H 0.342981 -0.087050 -0.053048 0.047 Uiso 1 1 calc R U . . .
C31F C 0.18482(9) -0.03156(7) -0.09498(7) 0.0307(3) Uani 1 1 d . . . . .
C32F C 0.16159(10) -0.06527(9) -0.16422(8) 0.0397(3) Uani 1 1 d . . . . .
H32F H 0.204603 -0.057347 -0.177013 0.048 Uiso 1 1 calc R U . . .
C33F C 0.07685(11) -0.11017(10) -0.21477(8) 0.0481(4) Uani 1 1 d . . . . .
H33F H 0.062387 -0.132952 -0.261560 0.058 Uiso 1 1 calc R U . . .
C34F C 0.01351(10) -0.12182(9) -0.19726(9) 0.0433(4) Uani 1 1 d . . . . .
H34F H -0.044472 -0.152080 -0.232034 0.052 Uiso 1 1 calc R U . . .
C35F C 0.03469(10) -0.08931(9) -0.12894(8) 0.0391(3) Uani 1 1 d . . . . .
H35F H -0.008755 -0.097482 -0.116646 0.047 Uiso 1 1 calc R U . . .
C36F C 0.11940(10) -0.04476(8) -0.07841(8) 0.0347(3) Uani 1 1 d . . . . .
H36F H 0.133338 -0.022764 -0.031603 0.042 Uiso 1 1 calc R U . . .
O1F O 0.38583(7) 0.04390(6) 0.24465(5) 0.0316(2) Uani 0.8809(8) 1 d . . P A 1
O2F O 0.30635(9) -0.08045(7) 0.17088(6) 0.0277(2) Uani 0.8809(8) 1 d . . P A 1
C1F C 0.30418(16) -0.01445(15) 0.04884(14) 0.0305(5) Uani 0.8809(8) 1 d . . P A
1
H1F H 0.281631 -0.068275 0.037698 0.037 Uiso 0.8809(8) 1 calc R U P A 1
C2F C 0.33830(10) 0.02736(9) 0.11516(8) 0.0310(3) Uani 0.8809(8) 1 d . . P A 1
H2F H 0.361402 0.081187 0.125592 0.037 Uiso 0.8809(8) 1 calc R U P A 1
C3F C 0.36158(10) -0.00380(8) 0.28570(8) 0.0289(3) Uani 0.8809(8) 1 d . . P A 1
C4F C 0.33750(13) -0.08360(12) 0.24211(10) 0.0271(4) Uani 0.8809(8) 1 d . . P A
1
C5F C 0.28681(12) -0.00162(10) 0.28816(10) 0.0404(4) Uani 0.8809(8) 1 d . . P A
1
H5FA H 0.302078 0.051842 0.305512 0.061 Uiso 0.8809(8) 1 calc R U P A 1
H5FB H 0.272155 -0.028520 0.319469 0.061 Uiso 0.8809(8) 1 calc R U P A 1
H5FC H 0.237908 -0.026778 0.241080 0.061 Uiso 0.8809(8) 1 calc R U P A 1
C6F C 0.43641(12) 0.02932(10) 0.35887(9) 0.0451(4) Uani 0.8809(8) 1 d . . P A 1
H6FA H 0.487497 0.038021 0.355678 0.068 Uiso 0.8809(8) 1 calc R U P A 1
H6FB H 0.424170 -0.006814 0.384333 0.068 Uiso 0.8809(8) 1 calc R U P A 1
H6FC H 0.445783 0.078106 0.383757 0.068 Uiso 0.8809(8) 1 calc R U P A 1
C7F C 0.41338(14) -0.09453(13) 0.25790(11) 0.0428(4) Uani 0.8809(8) 1 d . . P A
1
H7FA H 0.396297 -0.140288 0.222097 0.064 Uiso 0.8809(8) 1 calc R U P A 1
H7FB H 0.433522 -0.100889 0.303893 0.064 Uiso 0.8809(8) 1 calc R U P A 1
H7FC H 0.459117 -0.049441 0.257848 0.064 Uiso 0.8809(8) 1 calc R U P A 1
C8F C 0.2670(2) -0.15098(13) 0.24584(15) 0.0363(6) Uani 0.8809(8) 1 d . . P A 1
H8FA H 0.214583 -0.148988 0.225552 0.054 Uiso 0.8809(8) 1 calc R U P A 1
H8FB H 0.283796 -0.147945 0.294768 0.054 Uiso 0.8809(8) 1 calc R U P A 1
H8FC H 0.257304 -0.199270 0.219590 0.054 Uiso 0.8809(8) 1 calc R U P A 1
B1F B 0.34361(11) -0.00441(9) 0.17721(9) 0.0270(3) Uani 0.8809(8) 1 d . . P A 1
O1F' O 0.2595(6) -0.1156(5) 0.1573(4) 0.0319(17) Uani 0.1191(8) 1 d . . P A 2
O2F' O 0.3981(5) -0.0216(5) 0.1966(5) 0.0389(19) Uani 0.1191(8) 1 d . . P A 2
C1F' C 0.3350(11) 0.0083(11) 0.0596(11) 0.030(4) Uani 0.1191(8) 1 d . . P A 2
H1F' H 0.390074 0.044699 0.096834 0.036 Uiso 0.1191(8) 1 calc R U P A 2
C2F' C 0.2884(8) -0.0529(7) 0.0694(7) 0.035(2) Uani 0.1191(8) 1 d . . P A 2
H2F' H 0.235552 -0.091604 0.030966 0.043 Uiso 0.1191(8) 1 calc R U P A 2
C3F' C 0.3046(10) -0.0964(11) 0.2348(9) 0.031(3) Uani 0.1191(8) 1 d . . P A 2
C4F' C 0.3986(8) -0.0527(8) 0.2528(7) 0.037(2) Uani 0.1191(8) 1 d . . P A 2
C5F' C 0.2738(15) -0.1707(12) 0.2505(13) 0.036(4) Uani 0.1191(8) 1 d . . P A 2
H5FD H 0.212377 -0.195576 0.233238 0.054 Uiso 0.1191(8) 1 calc R U P A 2
H5FE H 0.302782 -0.159985 0.301111 0.054 Uiso 0.1191(8) 1 calc R U P A 2
H5FF H 0.286396 -0.204812 0.227321 0.054 Uiso 0.1191(8) 1 calc R U P A 2
C6F' C 0.2776(10) -0.0440(9) 0.2620(8) 0.047(3) Uani 0.1191(8) 1 d . . P A 2
H6FD H 0.254311 -0.024530 0.225422 0.071 Uiso 0.1191(8) 1 calc R U P A 2
H6FE H 0.326972 -0.000881 0.303208 0.071 Uiso 0.1191(8) 1 calc R U P A 2
H6FF H 0.234075 -0.073289 0.274762 0.071 Uiso 0.1191(8) 1 calc R U P A 2
C7F' C 0.4322(12) -0.1095(12) 0.2470(12) 0.060(4) Uani 0.1191(8) 1 d . . P A 2
H7FD H 0.445542 -0.124085 0.289215 0.090 Uiso 0.1191(8) 1 calc R U P A 2
H7FE H 0.483520 -0.084257 0.242071 0.090 Uiso 0.1191(8) 1 calc R U P A 2
H7FF H 0.388369 -0.155454 0.206002 0.090 Uiso 0.1191(8) 1 calc R U P A 2
C8F' C 0.4591(11) 0.0116(8) 0.3207(8) 0.062(4) Uani 0.1191(8) 1 d . . P A 2
H8FD H 0.441972 0.050280 0.321399 0.093 Uiso 0.1191(8) 1 calc R U P A 2
H8FE H 0.516554 0.034997 0.325908 0.093 Uiso 0.1191(8) 1 calc R U P A 2
H8FF H 0.458408 -0.008128 0.359230 0.093 Uiso 0.1191(8) 1 calc R U P A 2
B1F' B 0.3160(8) -0.0651(8) 0.1415(8) 0.030(2) Uani 0.1191(8) 1 d . . 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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
C31A Si1A C1A 109.21(6) . . ?
C31A Si1A C11A 110.19(6) . . ?
C1A Si1A C11A 107.76(6) . . ?
C31A Si1A C21A 110.06(6) . . ?
C1A Si1A C21A 108.55(6) . . ?
C11A Si1A C21A 111.01(6) . . ?
B1A O1A C3A 106.63(10) . . ?
B1A O2A C4A 106.56(10) . . ?
C2A C1A Si1A 124.51(10) . . ?
C2A C1A H1A 117.7 . . ?
Si1A C1A H1A 117.7 . . ?
C1A C2A B1A 125.85(12) . . ?
C1A C2A H2A 117.1 . . ?
B1A C2A H2A 117.1 . . ?
O1A C3A C5A 109.16(11) . . ?
O1A C3A C6A 106.48(11) . . ?
C5A C3A C6A 110.68(13) . . ?
O1A C3A C4A 102.02(10) . . ?
C5A C3A C4A 114.49(12) . . ?
C6A C3A C4A 113.29(11) . . ?
O2A C4A C8A 108.96(11) . . ?
O2A C4A C7A 106.53(11) . . ?
C8A C4A C7A 110.68(12) . . ?
O2A C4A C3A 102.09(10) . . ?
C8A C4A C3A 114.30(11) . . ?
C7A C4A C3A 113.55(12) . . ?
C3A C5A H5AA 109.5 . . ?
C3A C5A H5AB 109.5 . . ?
H5AA C5A H5AB 109.5 . . ?
C3A C5A H5AC 109.5 . . ?
H5AA C5A H5AC 109.5 . . ?
H5AB C5A H5AC 109.5 . . ?
C3A C6A H6AA 109.5 . . ?
C3A C6A H6AB 109.5 . . ?
H6AA C6A H6AB 109.5 . . ?
C3A C6A H6AC 109.5 . . ?
H6AA C6A H6AC 109.5 . . ?
H6AB C6A H6AC 109.5 . . ?
C4A C7A H7AA 109.5 . . ?
C4A C7A H7AB 109.5 . . ?
H7AA C7A H7AB 109.5 . . ?
C4A C7A H7AC 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
H7AB C7A H7AC 109.5 . . ?
C4A C8A H8AA 109.5 . . ?
C4A C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C4A C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C16A C11A C12A 117.41(12) . . ?
C16A C11A Si1A 119.48(9) . . ?
C12A C11A Si1A 123.03(10) . . ?
C13A C12A C11A 121.33(13) . . ?
C13A C12A H12A 119.3 . . ?
C11A C12A H12A 119.3 . . ?
C14A C13A C12A 120.00(12) . . ?
C14A C13A H13A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C13A C14A C15A 119.60(12) . . ?
C13A C14A H14A 120.2 . . ?
C15A C14A H14A 120.2 . . ?
C16A C15A C14A 120.13(13) . . ?
C16A C15A H15A 119.9 . . ?
C14A C15A H15A 119.9 . . ?
C15A C16A C11A 121.53(12) . . ?
C15A C16A H16A 119.2 . . ?
C11A C16A H16A 119.2 . . ?
C26A C21A C22A 117.44(13) . . ?
C26A C21A Si1A 122.18(11) . . ?
C22A C21A Si1A 120.33(10) . . ?
C23A C22A C21A 121.22(13) . . ?
C23A C22A H22A 119.4 . . ?
C21A C22A H22A 119.4 . . ?
C24A C23A C22A 120.10(13) . . ?
C24A C23A H23A 120.0 . . ?
C22A C23A H23A 120.0 . . ?
C25A C24A C23A 119.90(14) . . ?
C25A C24A H24A 120.1 . . ?
C23A C24A H24A 120.1 . . ?
C24A C25A C26A 119.94(14) . . ?
C24A C25A H25A 120.0 . . ?
C26A C25A H25A 120.0 . . ?
C21A C26A C25A 121.40(14) . . ?
C21A C26A H26A 119.3 . . ?
C25A C26A H26A 119.3 . . ?
C36A C31A C32A 117.79(12) . . ?
C36A C31A Si1A 121.38(10) . . ?
C32A C31A Si1A 120.83(10) . . ?
C33A C32A C31A 121.05(13) . . ?
C33A C32A H32A 119.5 . . ?
C31A C32A H32A 119.5 . . ?
C34A C33A C32A 120.05(13) . . ?
C34A C33A H33A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C35A C34A C33A 119.92(13) . . ?
C35A C34A H34A 120.0 . . ?
C33A C34A H34A 120.0 . . ?
C34A C35A C36A 120.30(13) . . ?
C34A C35A H35A 119.9 . . ?
C36A C35A H35A 119.8 . . ?
C35A C36A C31A 120.88(13) . . ?
C35A C36A H36A 119.6 . . ?
C31A C36A H36A 119.6 . . ?
O2A B1A O1A 113.57(12) . . ?
O2A B1A C2A 124.69(12) . . ?
O1A B1A C2A 121.71(12) . . ?
C1B Si1B C21B 107.54(10) . . ?
C1B Si1B C11B 112.38(9) . . ?
C21B Si1B C11B 111.83(6) . . ?
C1B Si1B C31B 105.11(9) . . ?
C21B Si1B C31B 108.54(6) . . ?
C11B Si1B C31B 111.12(6) . . ?
C21B Si1B C1B' 113.8(7) . . ?
C11B Si1B C1B' 99.4(5) . . ?
C31B Si1B C1B' 112.0(6) . . ?
C12B C11B C16B 117.39(13) . . ?
C12B C11B Si1B 122.07(11) . . ?
C16B C11B Si1B 120.54(10) . . ?
C13B C12B C11B 121.32(14) . . ?
C13B C12B H12B 119.3 . . ?
C11B C12B H12B 119.3 . . ?
C14B C13B C12B 120.10(15) . . ?
C14B C13B H13B 119.9 . . ?
C12B C13B H13B 119.9 . . ?
C13B C14B C15B 119.99(15) . . ?
C13B C14B H14B 120.0 . . ?
C15B C14B H14B 120.0 . . ?
C14B C15B C16B 119.83(14) . . ?
C14B C15B H15B 120.1 . . ?
C16B C15B H15B 120.1 . . ?
C15B C16B C11B 121.37(14) . . ?
C15B C16B H16B 119.3 . . ?
C11B C16B H16B 119.3 . . ?
C22B C21B C26B 117.33(13) . . ?
C22B C21B Si1B 120.96(11) . . ?
C26B C21B Si1B 121.64(10) . . ?
C23B C22B C21B 121.01(14) . . ?
C23B C22B H22B 119.5 . . ?
C21B C22B H22B 119.5 . . ?
C24B C23B C22B 120.63(14) . . ?
C24B C23B H23B 119.7 . . ?
C22B C23B H23B 119.7 . . ?
C23B C24B C25B 119.76(14) . . ?
C23B C24B H24B 120.1 . . ?
C25B C24B H24B 120.1 . . ?
C24B C25B C26B 119.70(15) . . ?
C24B C25B H25B 120.2 . . ?
C26B C25B H25B 120.2 . . ?
C25B C26B C21B 121.58(14) . . ?
C25B C26B H26B 119.2 . . ?
C21B C26B H26B 119.2 . . ?
C36B C31B C32B 117.77(12) . . ?
C36B C31B Si1B 123.90(10) . . ?
C32B C31B Si1B 118.29(10) . . ?
C33B C32B C31B 121.32(13) . . ?
C33B C32B H32B 119.3 . . ?
C31B C32B H32B 119.3 . . ?
C32B C33B C34B 120.03(13) . . ?
C32B C33B H33B 120.0 . . ?
C34B C33B H33B 120.0 . . ?
C35B C34B C33B 119.75(12) . . ?
C35B C34B H34B 120.1 . . ?
C33B C34B H34B 120.1 . . ?
C34B C35B C36B 120.04(12) . . ?
C34B C35B H35B 120.0 . . ?
C36B C35B H35B 120.0 . . ?
C35B C36B C31B 121.09(12) . . ?
C35B C36B H36B 119.5 . . ?
C31B C36B H36B 119.5 . . ?
B1B O1B C3B 106.71(13) . . ?
B1B O2B C4B 107.46(12) . . ?
C2B C1B Si1B 127.40(18) . . ?
C2B C1B H1B 116.3 . . ?
Si1B C1B H1B 116.3 . . ?
C1B C2B B1B 121.82(18) . . ?
C1B C2B H2B 119.1 . . ?
B1B C2B H2B 119.1 . . ?
O1B C3B C5B 106.71(17) . . ?
O1B C3B C6B 108.63(17) . . ?
C5B C3B C6B 110.29(19) . . ?
O1B C3B C4B 102.10(14) . . ?
C5B C3B C4B 112.82(18) . . ?
C6B C3B C4B 115.54(19) . . ?
O2B C4B C7B 107.99(13) . . ?
O2B C4B C8B 107.21(14) . . ?
C7B C4B C8B 110.66(17) . . ?
O2B C4B C3B 102.34(13) . . ?
C7B C4B C3B 115.19(17) . . ?
C8B C4B C3B 112.72(16) . . ?
C3B C5B H5BA 109.5 . . ?
C3B C5B H5BB 109.5 . . ?
H5BA C5B H5BB 109.5 . . ?
C3B C5B H5BC 109.5 . . ?
H5BA C5B H5BC 109.5 . . ?
H5BB C5B H5BC 109.5 . . ?
C3B C6B H6BA 109.5 . . ?
C3B C6B H6BB 109.5 . . ?
H6BA C6B H6BB 109.5 . . ?
C3B C6B H6BC 109.5 . . ?
H6BA C6B H6BC 109.5 . . ?
H6BB C6B H6BC 109.5 . . ?
C4B C7B H7BA 109.5 . . ?
C4B C7B H7BB 109.5 . . ?
H7BA C7B H7BB 109.5 . . ?
C4B C7B H7BC 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
C4B C8B H8BA 109.5 . . ?
C4B C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
C4B C8B H8BC 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
O2B B1B O1B 113.01(16) . . ?
O2B B1B C2B 123.26(16) . . ?
O1B B1B C2B 123.65(15) . . ?
B1B' O1B' C3B' 106.4(11) . . ?
B1B' O2B' C4B' 100.9(14) . . ?
C2B' C1B' Si1B 116.6(14) . . ?
C2B' C1B' H1B' 121.7 . . ?
Si1B C1B' H1B' 121.7 . . ?
C1B' C2B' B1B' 121.6(14) . . ?
C1B' C2B' H2B' 119.2 . . ?
B1B' C2B' H2B' 119.2 . . ?
O1B' C3B' C5B' 110.7(12) . . ?
O1B' C3B' C6B' 106.4(12) . . ?
C5B' C3B' C6B' 109.6(14) . . ?
O1B' C3B' C4B' 100.5(13) . . ?
C5B' C3B' C4B' 113.5(15) . . ?
C6B' C3B' C4B' 115.5(15) . . ?
O2B' C4B' C8B' 109(2) . . ?
O2B' C4B' C7B' 108.3(18) . . ?
C8B' C4B' C7B' 111.6(18) . . ?
O2B' C4B' C3B' 102.8(15) . . ?
C8B' C4B' C3B' 111.8(18) . . ?
C7B' C4B' C3B' 113(2) . . ?
C3B' C5B' H5BD 109.5 . . ?
C3B' C5B' H5BE 109.5 . . ?
H5BD C5B' H5BE 109.5 . . ?
C3B' C5B' H5BF 109.5 . . ?
H5BD C5B' H5BF 109.5 . . ?
H5BE C5B' H5BF 109.5 . . ?
C3B' C6B' H6BD 109.5 . . ?
C3B' C6B' H6BE 109.5 . . ?
H6BD C6B' H6BE 109.5 . . ?
C3B' C6B' H6BF 109.5 . . ?
H6BD C6B' H6BF 109.5 . . ?
H6BE C6B' H6BF 109.5 . . ?
C4B' C7B' H7BD 109.5 . . ?
C4B' C7B' H7BE 109.5 . . ?
H7BD C7B' H7BE 109.5 . . ?
C4B' C7B' H7BF 109.5 . . ?
H7BD C7B' H7BF 109.5 . . ?
H7BE C7B' H7BF 109.5 . . ?
C4B' C8B' H8BD 109.5 . . ?
C4B' C8B' H8BE 109.5 . . ?
H8BD C8B' H8BE 109.5 . . ?
C4B' C8B' H8BF 109.5 . . ?
H8BD C8B' H8BF 109.5 . . ?
H8BE C8B' H8BF 109.5 . . ?
O1B' B1B' O2B' 118.9(13) . . ?
O1B' B1B' C2B' 121.4(12) . . ?
O2B' B1B' C2B' 119.1(13) . . ?
C1C Si1C C21C 108.21(8) . . ?
C1C Si1C C11C 112.09(8) . . ?
C21C Si1C C11C 111.16(6) . . ?
C1C Si1C C31C 104.69(7) . . ?
C21C Si1C C31C 110.31(6) . . ?
C11C Si1C C31C 110.18(6) . . ?
C21C Si1C C1C' 114.4(5) . . ?
C11C Si1C C1C' 98.6(4) . . ?
C31C Si1C C1C' 111.6(5) . . ?
C12C C11C C16C 117.74(12) . . ?
C12C C11C Si1C 122.15(10) . . ?
C16C C11C Si1C 120.10(10) . . ?
C13C C12C C11C 121.18(14) . . ?
C13C C12C H12C 119.4 . . ?
C11C C12C H12C 119.4 . . ?
C14C C13C C12C 119.84(15) . . ?
C14C C13C H13C 120.1 . . ?
C12C C13C H13C 120.1 . . ?
C15C C14C C13C 120.27(14) . . ?
C15C C14C H14C 119.9 . . ?
C13C C14C H14C 119.9 . . ?
C14C C15C C16C 119.77(14) . . ?
C14C C15C H15C 120.1 . . ?
C16C C15C H15C 120.1 . . ?
C15C C16C C11C 121.19(13) . . ?
C15C C16C H16C 119.4 . . ?
C11C C16C H16C 119.4 . . ?
C26C C21C C22C 117.79(13) . . ?
C26C C21C Si1C 121.97(10) . . ?
C22C C21C Si1C 120.23(11) . . ?
C23C C22C C21C 120.99(15) . . ?
C23C C22C H22C 119.5 . . ?
C21C C22C H22C 119.5 . . ?
C24C C23C C22C 120.13(14) . . ?
C24C C23C H23C 119.9 . . ?
C22C C23C H23C 119.9 . . ?
C23C C24C C25C 120.08(14) . . ?
C23C C24C H24C 120.0 . . ?
C25C C24C H24C 120.0 . . ?
C24C C25C C26C 119.97(15) . . ?
C24C C25C H25C 120.0 . . ?
C26C C25C H25C 120.0 . . ?
C21C C26C C25C 121.05(13) . . ?
C21C C26C H26C 119.5 . . ?
C25C C26C H26C 119.5 . . ?
C36C C31C C32C 117.75(12) . . ?
C36C C31C Si1C 122.48(10) . . ?
C32C C31C Si1C 119.64(10) . . ?
C33C C32C C31C 121.24(12) . . ?
C33C C32C H32C 119.4 . . ?
C31C C32C H32C 119.4 . . ?
C34C C33C C32C 120.07(13) . . ?
C34C C33C H33C 120.0 . . ?
C32C C33C H33C 120.0 . . ?
C33C C34C C35C 120.02(12) . . ?
C33C C34C H34C 120.0 . . ?
C35C C34C H34C 120.0 . . ?
C34C C35C C36C 119.72(13) . . ?
C34C C35C H35C 120.1 . . ?
C36C C35C H35C 120.1 . . ?
C35C C36C C31C 121.20(12) . . ?
C35C C36C H36C 119.4 . . ?
C31C C36C H36C 119.4 . . ?
B1C O1C C3C 106.56(14) . . ?
B1C O2C C4C 107.14(13) . . ?
C2C C1C Si1C 127.84(15) . . ?
C2C C1C H1C 116.1 . . ?
Si1C C1C H1C 116.1 . . ?
C1C C2C B1C 121.96(15) . . ?
C1C C2C H2C 119.0 . . ?
B1C C2C H2C 119.0 . . ?
O1C C3C C5C 106.50(15) . . ?
O1C C3C C6C 108.44(16) . . ?
C5C C3C C6C 109.87(17) . . ?
O1C C3C C4C 102.19(14) . . ?
C5C C3C C4C 113.29(16) . . ?
C6C C3C C4C 115.76(18) . . ?
O2C C4C C8C 108.04(13) . . ?
O2C C4C C7C 107.33(15) . . ?
C8C C4C C7C 110.59(17) . . ?
O2C C4C C3C 102.61(13) . . ?
C8C C4C C3C 114.51(16) . . ?
C7C C4C C3C 113.09(15) . . ?
C3C C5C H5CA 109.5 . . ?
C3C C5C H5CB 109.5 . . ?
H5CA C5C H5CB 109.5 . . ?
C3C C5C H5CC 109.5 . . ?
H5CA C5C H5CC 109.5 . . ?
H5CB C5C H5CC 109.5 . . ?
C3C C6C H6CA 109.5 . . ?
C3C C6C H6CB 109.5 . . ?
H6CA C6C H6CB 109.5 . . ?
C3C C6C H6CC 109.5 . . ?
H6CA C6C H6CC 109.5 . . ?
H6CB C6C H6CC 109.5 . . ?
C4C C7C H7CA 109.5 . . ?
C4C C7C H7CB 109.5 . . ?
H7CA C7C H7CB 109.5 . . ?
C4C C7C H7CC 109.5 . . ?
H7CA C7C H7CC 109.5 . . ?
H7CB C7C H7CC 109.5 . . ?
C4C C8C H8CA 109.5 . . ?
C4C C8C H8CB 109.5 . . ?
H8CA C8C H8CB 109.5 . . ?
C4C C8C H8CC 109.5 . . ?
H8CA C8C H8CC 109.5 . . ?
H8CB C8C H8CC 109.5 . . ?
O2C B1C O1C 113.46(16) . . ?
O2C B1C C2C 123.03(15) . . ?
O1C B1C C2C 123.39(14) . . ?
B1C' O1C' C3C' 106.6(10) . . ?
B1C' O2C' C4C' 100.4(11) . . ?
C2C' C1C' Si1C 119.9(12) . . ?
C2C' C1C' H1C' 120.1 . . ?
Si1C C1C' H1C' 120.1 . . ?
C1C' C2C' B1C' 125.1(13) . . ?
C1C' C2C' H2C' 117.4 . . ?
B1C' C2C' H2C' 117.4 . . ?
O1C' C3C' C6C' 108.7(12) . . ?
O1C' C3C' C5C' 110.0(10) . . ?
C6C' C3C' C5C' 108.4(12) . . ?
O1C' C3C' C4C' 101.7(11) . . ?
C6C' C3C' C4C' 116.1(12) . . ?
C5C' C3C' C4C' 111.6(12) . . ?
C8C' C4C' C7C' 111.0(16) . . ?
C8C' C4C' O2C' 106.8(16) . . ?
C7C' C4C' O2C' 107.2(14) . . ?
C8C' C4C' C3C' 112.3(15) . . ?
C7C' C4C' C3C' 116.1(15) . . ?
O2C' C4C' C3C' 102.6(12) . . ?
C3C' C5C' H5CD 109.5 . . ?
C3C' C5C' H5CE 109.5 . . ?
H5CD C5C' H5CE 109.5 . . ?
C3C' C5C' H5CF 109.5 . . ?
H5CD C5C' H5CF 109.5 . . ?
H5CE C5C' H5CF 109.5 . . ?
C3C' C6C' H6CD 109.5 . . ?
C3C' C6C' H6CE 109.5 . . ?
H6CD C6C' H6CE 109.5 . . ?
C3C' C6C' H6CF 109.5 . . ?
H6CD C6C' H6CF 109.5 . . ?
H6CE C6C' H6CF 109.5 . . ?
C4C' C7C' H7CD 109.5 . . ?
C4C' C7C' H7CE 109.5 . . ?
H7CD C7C' H7CE 109.5 . . ?
C4C' C7C' H7CF 109.5 . . ?
H7CD C7C' H7CF 109.5 . . ?
H7CE C7C' H7CF 109.5 . . ?
C4C' C8C' H8CD 109.5 . . ?
C4C' C8C' H8CE 109.5 . . ?
H8CD C8C' H8CE 109.5 . . ?
C4C' C8C' H8CF 109.5 . . ?
H8CD C8C' H8CF 109.5 . . ?
H8CE C8C' H8CF 109.5 . . ?
O1C' B1C' O2C' 116.7(12) . . ?
O1C' B1C' C2C' 121.8(12) . . ?
O2C' B1C' C2C' 121.2(12) . . ?
C1D Si1D C31D 109.17(6) . . ?
C1D Si1D C11D 110.13(6) . . ?
C31D Si1D C11D 111.65(6) . . ?
C1D Si1D C21D 105.45(6) . . ?
C31D Si1D C21D 109.40(6) . . ?
C11D Si1D C21D 110.83(6) . . ?
B1D O1D C3D 106.68(10) . . ?
B1D O2D C4D 106.87(10) . . ?
C2D C1D Si1D 128.13(11) . . ?
C2D C1D H1D 115.9 . . ?
Si1D C1D H1D 115.9 . . ?
C1D C2D B1D 121.88(12) . . ?
C1D C2D H2D 119.1 . . ?
B1D C2D H2D 119.1 . . ?
O1D C3D C5D 109.35(12) . . ?
O1D C3D C6D 106.54(13) . . ?
C5D C3D C6D 110.20(14) . . ?
O1D C3D C4D 101.98(10) . . ?
C5D C3D C4D 115.27(12) . . ?
C6D C3D C4D 112.79(14) . . ?
O2D C4D C8D 108.03(12) . . ?
O2D C4D C7D 107.32(12) . . ?
C8D C4D C7D 110.35(14) . . ?
O2D C4D C3D 102.46(10) . . ?
C8D C4D C3D 115.02(14) . . ?
C7D C4D C3D 112.98(12) . . ?
C3D C5D H5DA 109.5 . . ?
C3D C5D H5DB 109.5 . . ?
H5DA C5D H5DB 109.5 . . ?
C3D C5D H5DC 109.5 . . ?
H5DA C5D H5DC 109.5 . . ?
H5DB C5D H5DC 109.5 . . ?
C3D C6D H6DA 109.5 . . ?
C3D C6D H6DB 109.5 . . ?
H6DA C6D H6DB 109.5 . . ?
C3D C6D H6DC 109.5 . . ?
H6DA C6D H6DC 109.5 . . ?
H6DB C6D H6DC 109.5 . . ?
C4D C7D H7DA 109.5 . . ?
C4D C7D H7DB 109.5 . . ?
H7DA C7D H7DB 109.5 . . ?
C4D C7D H7DC 109.5 . . ?
H7DA C7D H7DC 109.5 . . ?
H7DB C7D H7DC 109.5 . . ?
C4D C8D H8DA 109.5 . . ?
C4D C8D H8DB 109.5 . . ?
H8DA C8D H8DB 109.5 . . ?
C4D C8D H8DC 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
C16D C11D C12D 117.80(13) . . ?
C16D C11D Si1D 122.09(11) . . ?
C12D C11D Si1D 120.11(11) . . ?
C13D C12D C11D 121.23(14) . . ?
C13D C12D H12D 119.4 . . ?
C11D C12D H12D 119.4 . . ?
C14D C13D C12D 119.71(15) . . ?
C14D C13D H13D 120.1 . . ?
C12D C13D H13D 120.1 . . ?
C13D C14D C15D 120.12(15) . . ?
C13D C14D H14D 119.9 . . ?
C15D C14D H14D 119.9 . . ?
C16D C15D C14D 119.91(16) . . ?
C16D C15D H15D 120.0 . . ?
C14D C15D H15D 120.0 . . ?
C15D C16D C11D 121.23(15) . . ?
C15D C16D H16D 119.4 . . ?
C11D C16D H16D 119.4 . . ?
C22D C21D C26D 117.81(12) . . ?
C22D C21D Si1D 122.94(10) . . ?
C26D C21D Si1D 119.16(10) . . ?
C23D C22D C21D 121.12(13) . . ?
C23D C22D H22D 119.4 . . ?
C21D C22D H22D 119.4 . . ?
C24D C23D C22D 119.87(13) . . ?
C24D C23D H23D 120.1 . . ?
C22D C23D H23D 120.1 . . ?
C23D C24D C25D 120.01(13) . . ?
C23D C24D H24D 120.0 . . ?
C25D C24D H24D 120.0 . . ?
C26D C25D C24D 119.99(14) . . ?
C26D C25D H25D 120.0 . . ?
C24D C25D H25D 120.0 . . ?
C25D C26D C21D 121.20(13) . . ?
C25D C26D H26D 119.4 . . ?
C21D C26D H26D 119.4 . . ?
C36D C31D C32D 117.66(13) . . ?
C36D C31D Si1D 120.76(11) . . ?
C32D C31D Si1D 121.56(10) . . ?
C33D C32D C31D 121.08(13) . . ?
C33D C32D H32D 119.5 . . ?
C31D C32D H32D 119.5 . . ?
C34D C33D C32D 120.12(14) . . ?
C34D C33D H33D 119.9 . . ?
C32D C33D H33D 119.9 . . ?
C33D C34D C35D 119.77(14) . . ?
C33D C34D H34D 120.1 . . ?
C35D C34D H34D 120.1 . . ?
C34D C35D C36D 120.06(13) . . ?
C34D C35D H35D 120.0 . . ?
C36D C35D H35D 120.0 . . ?
C35D C36D C31D 121.31(14) . . ?
C35D C36D H36D 119.3 . . ?
C31D C36D H36D 119.3 . . ?
O1D B1D O2D 113.47(12) . . ?
O1D B1D C2D 124.12(12) . . ?
O2D B1D C2D 122.30(12) . . ?
C1E' Si1E C21E 105.2(12) . . ?
C1E' Si1E C11E 106.4(12) . . ?
C21E Si1E C11E 109.02(6) . . ?
C1E' Si1E C31E 113.6(13) . . ?
C21E Si1E C31E 110.32(6) . . ?
C11E Si1E C31E 111.96(6) . . ?
C21E Si1E C1E 110.62(14) . . ?
C11E Si1E C1E 108.05(15) . . ?
C31E Si1E C1E 106.83(13) . . ?
C16E C11E C12E 117.63(11) . . ?
C16E C11E Si1E 123.22(10) . . ?
C12E C11E Si1E 119.13(9) . . ?
C13E C12E C11E 121.16(12) . . ?
C13E C12E H12E 119.4 . . ?
C11E C12E H12E 119.4 . . ?
C14E C13E C12E 120.20(13) . . ?
C14E C13E H13E 119.9 . . ?
C12E C13E H13E 119.9 . . ?
C15E C14E C13E 119.79(12) . . ?
C15E C14E H14E 120.1 . . ?
C13E C14E H14E 120.1 . . ?
C14E C15E C16E 120.01(13) . . ?
C14E C15E H15E 120.0 . . ?
C16E C15E H15E 120.0 . . ?
C15E C16E C11E 121.21(12) . . ?
C15E C16E H16E 119.4 . . ?
C11E C16E H16E 119.4 . . ?
C22E C21E C26E 118.07(12) . . ?
C22E C21E Si1E 121.01(10) . . ?
C26E C21E Si1E 120.91(10) . . ?
C23E C22E C21E 120.93(13) . . ?
C23E C22E H22E 119.5 . . ?
C21E C22E H22E 119.5 . . ?
C24E C23E C22E 120.07(14) . . ?
C24E C23E H23E 120.0 . . ?
C22E C23E H23E 120.0 . . ?
C23E C24E C25E 120.08(13) . . ?
C23E C24E H24E 120.0 . . ?
C25E C24E H24E 120.0 . . ?
C24E C25E C26E 120.04(13) . . ?
C24E C25E H25E 120.0 . . ?
C26E C25E H25E 120.0 . . ?
C25E C26E C21E 120.80(14) . . ?
C25E C26E H26E 119.6 . . ?
C21E C26E H26E 119.6 . . ?
C32E C31E C36E 117.60(12) . . ?
C32E C31E Si1E 121.95(10) . . ?
C36E C31E Si1E 120.32(10) . . ?
C33E C32E C31E 121.29(13) . . ?
C33E C32E H32E 119.4 . . ?
C31E C32E H32E 119.4 . . ?
C34E C33E C32E 119.83(14) . . ?
C34E C33E H33E 120.1 . . ?
C32E C33E H33E 120.1 . . ?
C33E C34E C35E 120.16(14) . . ?
C33E C34E H34E 119.9 . . ?
C35E C34E H34E 119.9 . . ?
C34E C35E C36E 119.94(13) . . ?
C34E C35E H35E 120.0 . . ?
C36E C35E H35E 120.0 . . ?
C35E C36E C31E 121.18(13) . . ?
C35E C36E H36E 119.4 . . ?
C31E C36E H36E 119.4 . . ?
B1E O1E C3E 106.23(11) . . ?
B1E O2E C4E 106.54(14) . . ?
C2E C1E Si1E 125.0(3) . . ?
C2E C1E H1E 117.5 . . ?
Si1E C1E H1E 117.5 . . ?
C1E C2E B1E 125.31(18) . . ?
C1E C2E H2E 117.3 . . ?
B1E C2E H2E 117.3 . . ?
O1E C3E C5E 106.23(12) . . ?
O1E C3E C6E 109.35(12) . . ?
C5E C3E C6E 110.17(14) . . ?
O1E C3E C4E 102.08(12) . . ?
C5E C3E C4E 113.85(14) . . ?
C6E C3E C4E 114.46(15) . . ?
O2E C4E C8E 106.68(17) . . ?
O2E C4E C7E 108.76(17) . . ?
C8E C4E C7E 110.7(2) . . ?
O2E C4E C3E 101.94(16) . . ?
C8E C4E C3E 114.13(18) . . ?
C7E C4E C3E 113.89(18) . . ?
C3E C5E H5EA 109.5 . . ?
C3E C5E H5EB 109.5 . . ?
H5EA C5E H5EB 109.5 . . ?
C3E C5E H5EC 109.5 . . ?
H5EA C5E H5EC 109.5 . . ?
H5EB C5E H5EC 109.5 . . ?
C3E C6E H6EA 109.5 . . ?
C3E C6E H6EB 109.5 . . ?
H6EA C6E H6EB 109.5 . . ?
C3E C6E H6EC 109.5 . . ?
H6EA C6E H6EC 109.5 . . ?
H6EB C6E H6EC 109.5 . . ?
C4E C7E H7EA 109.5 . . ?
C4E C7E H7EB 109.5 . . ?
H7EA C7E H7EB 109.5 . . ?
C4E C7E H7EC 109.5 . . ?
H7EA C7E H7EC 109.5 . . ?
H7EB C7E H7EC 109.5 . . ?
C4E C8E H8EA 109.5 . . ?
C4E C8E H8EB 109.5 . . ?
H8EA C8E H8EB 109.5 . . ?
C4E C8E H8EC 109.5 . . ?
H8EA C8E H8EC 109.5 . . ?
H8EB C8E H8EC 109.5 . . ?
O2E B1E O1E 113.81(13) . . ?
O2E B1E C2E 124.27(14) . . ?
O1E B1E C2E 121.86(13) . . ?
B1E' O1E' C3E' 105.7(12) . . ?
B1E' O2E' C4E' 108.3(11) . . ?
C2E' C1E' Si1E 138(3) . . ?
C2E' C1E' H1E' 111.0 . . ?
Si1E C1E' H1E' 111.0 . . ?
C1E' C2E' B1E' 130(2) . . ?
C1E' C2E' H2E' 114.8 . . ?
B1E' C2E' H2E' 114.8 . . ?
C4E' C3E' C5E' 117.1(18) . . ?
C4E' C3E' O1E' 103.0(14) . . ?
C5E' C3E' O1E' 106.6(15) . . ?
C4E' C3E' C6E' 109.8(17) . . ?
C5E' C3E' C6E' 114.3(17) . . ?
O1E' C3E' C6E' 104.5(15) . . ?
C8E' C4E' O2E' 107.7(12) . . ?
C8E' C4E' C3E' 120.3(15) . . ?
O2E' C4E' C3E' 103.2(12) . . ?
C8E' C4E' C7E' 109.3(13) . . ?
O2E' C4E' C7E' 104.8(11) . . ?
C3E' C4E' C7E' 110.3(15) . . ?
C3E' C5E' H5ED 109.5 . . ?
C3E' C5E' H5EE 109.5 . . ?
H5ED C5E' H5EE 109.5 . . ?
C3E' C5E' H5EF 109.5 . . ?
H5ED C5E' H5EF 109.5 . . ?
H5EE C5E' H5EF 109.5 . . ?
C3E' C6E' H6ED 109.5 . . ?
C3E' C6E' H6EE 109.5 . . ?
H6ED C6E' H6EE 109.5 . . ?
C3E' C6E' H6EF 109.5 . . ?
H6ED C6E' H6EF 109.5 . . ?
H6EE C6E' H6EF 109.5 . . ?
C4E' C7E' H7ED 109.5 . . ?
C4E' C7E' H7EE 109.5 . . ?
H7ED C7E' H7EE 109.5 . . ?
C4E' C7E' H7EF 109.5 . . ?
H7ED C7E' H7EF 109.5 . . ?
H7EE C7E' H7EF 109.5 . . ?
C4E' C8E' H8ED 109.5 . . ?
C4E' C8E' H8EE 109.5 . . ?
H8ED C8E' H8EE 109.5 . . ?
C4E' C8E' H8EF 109.5 . . ?
H8ED C8E' H8EF 109.5 . . ?
H8EE C8E' H8EF 109.5 . . ?
O1E' B1E' O2E' 113.1(15) . . ?
O1E' B1E' C2E' 122.2(12) . . ?
O2E' B1E' C2E' 124.3(14) . . ?
C1F' Si1F C21F 103.0(6) . . ?
C1F' Si1F C31F 121.6(5) . . ?
C21F Si1F C31F 110.00(6) . . ?
C1F' Si1F C11F 100.1(6) . . ?
C21F Si1F C11F 111.21(6) . . ?
C31F Si1F C11F 110.39(6) . . ?
C21F Si1F C1F 110.68(10) . . ?
C31F Si1F C1F 105.79(9) . . ?
C11F Si1F C1F 108.63(9) . . ?
C16F C11F C12F 117.57(12) . . ?
C16F C11F Si1F 121.64(10) . . ?
C12F C11F Si1F 120.73(10) . . ?
C13F C12F C11F 121.23(13) . . ?
C13F C12F H12F 119.4 . . ?
C11F C12F H12F 119.4 . . ?
C14F C13F C12F 120.05(13) . . ?
C14F C13F H13F 120.0 . . ?
C12F C13F H13F 120.0 . . ?
C15F C14F C13F 120.01(13) . . ?
C15F C14F H14F 120.0 . . ?
C13F C14F H14F 120.0 . . ?
C14F C15F C16F 119.72(13) . . ?
C14F C15F H15F 120.1 . . ?
C16F C15F H15F 120.1 . . ?
C15F C16F C11F 121.41(13) . . ?
C15F C16F H16F 119.3 . . ?
C11F C16F H16F 119.3 . . ?
C22F C21F C26F 118.40(13) . . ?
C22F C21F Si1F 122.21(10) . . ?
C26F C21F Si1F 119.39(11) . . ?
C23F C22F C21F 120.69(14) . . ?
C23F C22F H22F 119.7 . . ?
C21F C22F H22F 119.7 . . ?
C24F C23F C22F 119.92(15) . . ?
C24F C23F H23F 120.0 . . ?
C22F C23F H23F 120.0 . . ?
C25F C24F C23F 120.18(14) . . ?
C25F C24F H24F 119.9 . . ?
C23F C24F H24F 119.9 . . ?
C24F C25F C26F 120.02(14) . . ?
C24F C25F H25F 120.0 . . ?
C26F C25F H25F 120.0 . . ?
C25F C26F C21F 120.78(15) . . ?
C25F C26F H26F 119.6 . . ?
C21F C26F H26F 119.6 . . ?
C32F C31F C36F 117.49(14) . . ?
C32F C31F Si1F 122.85(11) . . ?
C36F C31F Si1F 119.64(11) . . ?
C33F C32F C31F 121.24(14) . . ?
C33F C32F H32F 119.4 . . ?
C31F C32F H32F 119.4 . . ?
C34F C33F C32F 120.18(15) . . ?
C34F C33F H33F 119.9 . . ?
C32F C33F H33F 119.9 . . ?
C33F C34F C35F 119.82(15) . . ?
C33F C34F H34F 120.1 . . ?
C35F C34F H34F 120.1 . . ?
C34F C35F C36F 119.93(14) . . ?
C34F C35F H35F 120.0 . . ?
C36F C35F H35F 120.0 . . ?
C35F C36F C31F 121.33(14) . . ?
C35F C36F H36F 119.3 . . ?
C31F C36F H36F 119.3 . . ?
B1F O1F C3F 106.40(11) . . ?
B1F O2F C4F 106.35(13) . . ?
C2F C1F Si1F 123.66(18) . . ?
C2F C1F H1F 118.2 . . ?
Si1F C1F H1F 118.2 . . ?
C1F C2F B1F 125.64(17) . . ?
C1F C2F H2F 117.2 . . ?
B1F C2F H2F 117.2 . . ?
O1F C3F C5F 106.64(13) . . ?
O1F C3F C6F 108.95(12) . . ?
C5F C3F C6F 110.70(15) . . ?
O1F C3F C4F 102.11(12) . . ?
C5F C3F C4F 113.41(14) . . ?
C6F C3F C4F 114.32(15) . . ?
O2F C4F C7F 106.86(15) . . ?
O2F C4F C8F 109.25(17) . . ?
C7F C4F C8F 110.70(19) . . ?
O2F C4F C3F 102.01(14) . . ?
C7F C4F C3F 113.65(17) . . ?
C8F C4F C3F 113.73(17) . . ?
C3F C5F H5FA 109.5 . . ?
C3F C5F H5FB 109.5 . . ?
H5FA C5F H5FB 109.5 . . ?
C3F C5F H5FC 109.5 . . ?
H5FA C5F H5FC 109.5 . . ?
H5FB C5F H5FC 109.5 . . ?
C3F C6F H6FA 109.5 . . ?
C3F C6F H6FB 109.5 . . ?
H6FA C6F H6FB 109.5 . . ?
C3F C6F H6FC 109.5 . . ?
H6FA C6F H6FC 109.5 . . ?
H6FB C6F H6FC 109.5 . . ?
C4F C7F H7FA 109.5 . . ?
C4F C7F H7FB 109.5 . . ?
H7FA C7F H7FB 109.5 . . ?
C4F C7F H7FC 109.5 . . ?
H7FA C7F H7FC 109.5 . . ?
H7FB C7F H7FC 109.5 . . ?
C4F C8F H8FA 109.5 . . ?
C4F C8F H8FB 109.5 . . ?
H8FA C8F H8FB 109.5 . . ?
C4F C8F H8FC 109.5 . . ?
H8FA C8F H8FC 109.5 . . ?
H8FB C8F H8FC 109.5 . . ?
O2F B1F O1F 113.60(13) . . ?
O2F B1F C2F 125.09(14) . . ?
O1F B1F C2F 121.28(13) . . ?
B1F' O1F' C3F' 105.9(11) . . ?
B1F' O2F' C4F' 106.5(10) . . ?
C2F' C1F' Si1F 122.7(13) . . ?
C2F' C1F' H1F' 118.6 . . ?
Si1F C1F' H1F' 118.6 . . ?
C1F' C2F' B1F' 122.5(13) . . ?
C1F' C2F' H2F' 118.7 . . ?
B1F' C2F' H2F' 118.7 . . ?
O1F' C3F' C5F' 107.6(15) . . ?
O1F' C3F' C6F' 103.7(12) . . ?
C5F' C3F' C6F' 112.3(14) . . ?
O1F' C3F' C4F' 102.7(12) . . ?
C5F' C3F' C4F' 116.7(16) . . ?
C6F' C3F' C4F' 112.3(14) . . ?
O2F' C4F' C8F' 108.4(11) . . ?
O2F' C4F' C3F' 104.0(10) . . ?
C8F' C4F' C3F' 117.2(14) . . ?
O2F' C4F' C7F' 105.6(13) . . ?
C8F' C4F' C7F' 109.8(13) . . ?
C3F' C4F' C7F' 111.0(13) . . ?
C3F' C5F' H5FD 109.5 . . ?
C3F' C5F' H5FE 109.5 . . ?
H5FD C5F' H5FE 109.5 . . ?
C3F' C5F' H5FF 109.5 . . ?
H5FD C5F' H5FF 109.5 . . ?
H5FE C5F' H5FF 109.5 . . ?
C3F' C6F' H6FD 109.5 . . ?
C3F' C6F' H6FE 109.5 . . ?
H6FD C6F' H6FE 109.5 . . ?
C3F' C6F' H6FF 109.5 . . ?
H6FD C6F' H6FF 109.5 . . ?
H6FE C6F' H6FF 109.5 . . ?
C4F' C7F' H7FD 109.5 . . ?
C4F' C7F' H7FE 109.5 . . ?
H7FD C7F' H7FE 109.5 . . ?
C4F' C7F' H7FF 109.5 . . ?
H7FD C7F' H7FF 109.5 . . ?
H7FE C7F' H7FF 109.5 . . ?
C4F' C8F' H8FD 109.5 . . ?
C4F' C8F' H8FE 109.5 . . ?
H8FD C8F' H8FE 109.5 . . ?
C4F' C8F' H8FF 109.5 . . ?
H8FD C8F' H8FF 109.5 . . ?
H8FE C8F' H8FF 109.5 . . ?
O1F' B1F' O2F' 114.4(13) . . ?
O1F' B1F' C2F' 122.0(11) . . ?
O2F' B1F' C2F' 123.4(12) . . ?
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
Si1A C31A 1.8752(13) . ?
Si1A C1A 1.8785(13) . ?
Si1A C11A 1.8788(13) . ?
Si1A C21A 1.8800(14) . ?
O1A B1A 1.3678(17) . ?
O1A C3A 1.4591(15) . ?
O2A B1A 1.3661(17) . ?
O2A C4A 1.4654(15) . ?
C1A C2A 1.3329(19) . ?
C1A H1A 0.9500 . ?
C2A B1A 1.5576(19) . ?
C2A H2A 0.9500 . ?
C3A C5A 1.5174(19) . ?
C3A C6A 1.518(2) . ?
C3A C4A 1.5569(18) . ?
C4A C8A 1.5211(18) . ?
C4A C7A 1.522(2) . ?
C5A H5AA 0.9800 . ?
C5A H5AB 0.9800 . ?
C5A H5AC 0.9800 . ?
C6A H6AA 0.9800 . ?
C6A H6AB 0.9800 . ?
C6A H6AC 0.9800 . ?
C7A H7AA 0.9800 . ?
C7A H7AB 0.9800 . ?
C7A H7AC 0.9800 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C11A C16A 1.3980(18) . ?
C11A C12A 1.3984(17) . ?
C12A C13A 1.3959(19) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.384(2) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.389(2) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.3865(19) . ?
C15A H15A 0.9500 . ?
C16A H16A 0.9500 . ?
C21A C26A 1.3930(19) . ?
C21A C22A 1.4007(18) . ?
C22A C23A 1.387(2) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.382(2) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.378(2) . ?
C24A H24A 0.9500 . ?
C25A C26A 1.393(2) . ?
C25A H25A 0.9500 . ?
C26A H26A 0.9500 . ?
C31A C36A 1.4001(19) . ?
C31A C32A 1.4008(18) . ?
C32A C33A 1.392(2) . ?
C32A H32A 0.9500 . ?
C33A C34A 1.384(2) . ?
C33A H33A 0.9500 . ?
C34A C35A 1.379(2) . ?
C34A H34A 0.9500 . ?
C35A C36A 1.393(2) . ?
C35A H35A 0.9500 . ?
C36A H36A 0.9500 . ?
Si1B C1B 1.859(3) . ?
Si1B C21B 1.8717(14) . ?
Si1B C11B 1.8789(14) . ?
Si1B C31B 1.8795(13) . ?
Si1B C1B' 2.04(2) . ?
C11B C12B 1.3997(19) . ?
C11B C16B 1.4029(19) . ?
C12B C13B 1.394(2) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.382(2) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.386(2) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.395(2) . ?
C15B H15B 0.9500 . ?
C16B H16B 0.9500 . ?
C21B C22B 1.3980(19) . ?
C21B C26B 1.398(2) . ?
C22B C23B 1.392(2) . ?
C22B H22B 0.9500 . ?
C23B C24B 1.375(2) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.384(2) . ?
C24B H24B 0.9500 . ?
C25B C26B 1.395(2) . ?
C25B H25B 0.9500 . ?
C26B H26B 0.9500 . ?
C31B C36B 1.3950(17) . ?
C31B C32B 1.4022(18) . ?
C32B C33B 1.3835(19) . ?
C32B H32B 0.9500 . ?
C33B C34B 1.388(2) . ?
C33B H33B 0.9500 . ?
C34B C35B 1.385(2) . ?
C34B H34B 0.9500 . ?
C35B C36B 1.3935(18) . ?
C35B H35B 0.9500 . ?
C36B H36B 0.9500 . ?
O1B B1B 1.372(2) . ?
O1B C3B 1.465(2) . ?
O2B B1B 1.363(2) . ?
O2B C4B 1.4578(18) . ?
C1B C2B 1.345(2) . ?
C1B H1B 0.9500 . ?
C2B B1B 1.548(2) . ?
C2B H2B 0.9500 . ?
C3B C5B 1.516(3) . ?
C3B C6B 1.520(2) . ?
C3B C4B 1.552(2) . ?
C4B C7B 1.505(2) . ?
C4B C8B 1.533(3) . ?
C5B H5BA 0.9800 . ?
C5B H5BB 0.9800 . ?
C5B H5BC 0.9800 . ?
C6B H6BA 0.9800 . ?
C6B H6BB 0.9800 . ?
C6B H6BC 0.9800 . ?
C7B H7BA 0.9800 . ?
C7B H7BB 0.9800 . ?
C7B H7BC 0.9800 . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C8B H8BC 0.9800 . ?
O1B' B1B' 1.335(18) . ?
O1B' C3B' 1.430(17) . ?
O2B' B1B' 1.357(18) . ?
O2B' C4B' 1.49(3) . ?
C1B' C2B' 1.29(2) . ?
C1B' H1B' 0.9500 . ?
C2B' B1B' 1.608(19) . ?
C2B' H2B' 0.9500 . ?
C3B' C5B' 1.49(2) . ?
C3B' C6B' 1.523(19) . ?
C3B' C4B' 1.59(3) . ?
C4B' C8B' 1.54(3) . ?
C4B' C7B' 1.56(3) . ?
C5B' H5BD 0.9800 . ?
C5B' H5BE 0.9800 . ?
C5B' H5BF 0.9800 . ?
C6B' H6BD 0.9800 . ?
C6B' H6BE 0.9800 . ?
C6B' H6BF 0.9800 . ?
C7B' H7BD 0.9800 . ?
C7B' H7BE 0.9800 . ?
C7B' H7BF 0.9800 . ?
C8B' H8BD 0.9800 . ?
C8B' H8BE 0.9800 . ?
C8B' H8BF 0.9800 . ?
Si1C C1C 1.860(2) . ?
Si1C C21C 1.8746(14) . ?
Si1C C11C 1.8753(14) . ?
Si1C C31C 1.8812(13) . ?
Si1C C1C' 2.029(17) . ?
C11C C12C 1.3977(19) . ?
C11C C16C 1.4040(18) . ?
C12C C13C 1.391(2) . ?
C12C H12C 0.9500 . ?
C13C C14C 1.386(2) . ?
C13C H13C 0.9500 . ?
C14C C15C 1.383(2) . ?
C14C H14C 0.9500 . ?
C15C C16C 1.390(2) . ?
C15C H15C 0.9500 . ?
C16C H16C 0.9500 . ?
C21C C26C 1.3940(19) . ?
C21C C22C 1.3996(19) . ?
C22C C23C 1.392(2) . ?
C22C H22C 0.9500 . ?
C23C C24C 1.377(3) . ?
C23C H23C 0.9500 . ?
C24C C25C 1.379(2) . ?
C24C H24C 0.9500 . ?
C25C C26C 1.396(2) . ?
C25C H25C 0.9500 . ?
C26C H26C 0.9500 . ?
C31C C36C 1.3988(18) . ?
C31C C32C 1.4016(18) . ?
C32C C33C 1.3887(19) . ?
C32C H32C 0.9500 . ?
C33C C34C 1.386(2) . ?
C33C H33C 0.9500 . ?
C34C C35C 1.387(2) . ?
C34C H34C 0.9500 . ?
C35C C36C 1.3976(19) . ?
C35C H35C 0.9500 . ?
C36C H36C 0.9500 . ?
O1C B1C 1.374(2) . ?
O1C C3C 1.466(2) . ?
O2C B1C 1.363(2) . ?
O2C C4C 1.4594(18) . ?
C1C C2C 1.347(2) . ?
C1C H1C 0.9500 . ?
C2C B1C 1.557(2) . ?
C2C H2C 0.9500 . ?
C3C C5C 1.517(2) . ?
C3C C6C 1.523(2) . ?
C3C C4C 1.554(2) . ?
C4C C8C 1.513(2) . ?
C4C C7C 1.527(3) . ?
C5C H5CA 0.9800 . ?
C5C H5CB 0.9800 . ?
C5C H5CC 0.9800 . ?
C6C H6CA 0.9800 . ?
C6C H6CB 0.9800 . ?
C6C H6CC 0.9800 . ?
C7C H7CA 0.9800 . ?
C7C H7CB 0.9800 . ?
C7C H7CC 0.9800 . ?
C8C H8CA 0.9800 . ?
C8C H8CB 0.9800 . ?
C8C H8CC 0.9800 . ?
O1C' B1C' 1.339(17) . ?
O1C' C3C' 1.439(15) . ?
O2C' B1C' 1.41(2) . ?
O2C' C4C' 1.51(2) . ?
C1C' C2C' 1.33(2) . ?
C1C' H1C' 0.9500 . ?
C2C' B1C' 1.572(19) . ?
C2C' H2C' 0.9500 . ?
C3C' C6C' 1.47(2) . ?
C3C' C5C' 1.527(18) . ?
C3C' C4C' 1.56(2) . ?
C4C' C8C' 1.47(3) . ?
C4C' C7C' 1.51(2) . ?
C5C' H5CD 0.9800 . ?
C5C' H5CE 0.9800 . ?
C5C' H5CF 0.9800 . ?
C6C' H6CD 0.9800 . ?
C6C' H6CE 0.9800 . ?
C6C' H6CF 0.9800 . ?
C7C' H7CD 0.9800 . ?
C7C' H7CE 0.9800 . ?
C7C' H7CF 0.9800 . ?
C8C' H8CD 0.9800 . ?
C8C' H8CE 0.9800 . ?
C8C' H8CF 0.9800 . ?
Si1D C1D 1.8714(13) . ?
Si1D C31D 1.8748(14) . ?
Si1D C11D 1.8754(14) . ?
Si1D C21D 1.8793(13) . ?
O1D B1D 1.3614(17) . ?
O1D C3D 1.4644(16) . ?
O2D B1D 1.3660(17) . ?
O2D C4D 1.4593(16) . ?
C1D C2D 1.3364(19) . ?
C1D H1D 0.9500 . ?
C2D B1D 1.5558(19) . ?
C2D H2D 0.9500 . ?
C3D C5D 1.5183(19) . ?
C3D C6D 1.520(2) . ?
C3D C4D 1.550(2) . ?
C4D C8D 1.508(2) . ?
C4D C7D 1.526(2) . ?
C5D H5DA 0.9800 . ?
C5D H5DB 0.9800 . ?
C5D H5DC 0.9800 . ?
C6D H6DA 0.9800 . ?
C6D H6DB 0.9800 . ?
C6D H6DC 0.9800 . ?
C7D H7DA 0.9800 . ?
C7D H7DB 0.9800 . ?
C7D H7DC 0.9800 . ?
C8D H8DA 0.9800 . ?
C8D H8DB 0.9800 . ?
C8D H8DC 0.9800 . ?
C11D C16D 1.398(2) . ?
C11D C12D 1.407(2) . ?
C12D C13D 1.392(2) . ?
C12D H12D 0.9500 . ?
C13D C14D 1.384(2) . ?
C13D H13D 0.9500 . ?
C14D C15D 1.395(3) . ?
C14D H14D 0.9500 . ?
C15D C16D 1.387(2) . ?
C15D H15D 0.9500 . ?
C16D H16D 0.9500 . ?
C21D C22D 1.4007(18) . ?
C21D C26D 1.4053(19) . ?
C22D C23D 1.3948(19) . ?
C22D H22D 0.9500 . ?
C23D C24D 1.387(2) . ?
C23D H23D 0.9500 . ?
C24D C25D 1.392(2) . ?
C24D H24D 0.9500 . ?
C25D C26D 1.385(2) . ?
C25D H25D 0.9500 . ?
C26D H26D 0.9500 . ?
C31D C36D 1.3979(18) . ?
C31D C32D 1.3993(19) . ?
C32D C33D 1.393(2) . ?
C32D H32D 0.9500 . ?
C33D C34D 1.383(2) . ?
C33D H33D 0.9500 . ?
C34D C35D 1.386(2) . ?
C34D H34D 0.9500 . ?
C35D C36D 1.388(2) . ?
C35D H35D 0.9500 . ?
C36D H36D 0.9500 . ?
Si1E C1E' 1.70(3) . ?
Si1E C21E 1.8729(13) . ?
Si1E C11E 1.8784(12) . ?
Si1E C31E 1.8805(13) . ?
Si1E C1E 1.891(3) . ?
C11E C16E 1.3991(17) . ?
C11E C12E 1.4044(18) . ?
C12E C13E 1.3862(19) . ?
C12E H12E 0.9500 . ?
C13E C14E 1.386(2) . ?
C13E H13E 0.9500 . ?
C14E C15E 1.386(2) . ?
C14E H14E 0.9500 . ?
C15E C16E 1.3921(19) . ?
C15E H15E 0.9500 . ?
C16E H16E 0.9500 . ?
C21E C22E 1.3964(19) . ?
C21E C26E 1.4004(18) . ?
C22E C23E 1.395(2) . ?
C22E H22E 0.9500 . ?
C23E C24E 1.377(2) . ?
C23E H23E 0.9500 . ?
C24E C25E 1.386(2) . ?
C24E H24E 0.9500 . ?
C25E C26E 1.392(2) . ?
C25E H25E 0.9500 . ?
C26E H26E 0.9500 . ?
C31E C32E 1.3979(18) . ?
C31E C36E 1.4040(18) . ?
C32E C33E 1.397(2) . ?
C32E H32E 0.9500 . ?
C33E C34E 1.383(2) . ?
C33E H33E 0.9500 . ?
C34E C35E 1.384(2) . ?
C34E H34E 0.9500 . ?
C35E C36E 1.392(2) . ?
C35E H35E 0.9500 . ?
C36E H36E 0.9500 . ?
O1E B1E 1.368(2) . ?
O1E C3E 1.4606(16) . ?
O2E B1E 1.365(2) . ?
O2E C4E 1.467(2) . ?
C1E C2E 1.318(5) . ?
C1E H1E 0.9500 . ?
C2E B1E 1.557(2) . ?
C2E H2E 0.9500 . ?
C3E C5E 1.515(2) . ?
C3E C6E 1.517(2) . ?
C3E C4E 1.557(3) . ?
C4E C8E 1.521(3) . ?
C4E C7E 1.529(2) . ?
C5E H5EA 0.9800 . ?
C5E H5EB 0.9800 . ?
C5E H5EC 0.9800 . ?
C6E H6EA 0.9800 . ?
C6E H6EB 0.9800 . ?
C6E H6EC 0.9800 . ?
C7E H7EA 0.9800 . ?
C7E H7EB 0.9800 . ?
C7E H7EC 0.9800 . ?
C8E H8EA 0.9800 . ?
C8E H8EB 0.9800 . ?
C8E H8EC 0.9800 . ?
O1E' B1E' 1.35(2) . ?
O1E' C3E' 1.51(2) . ?
O2E' B1E' 1.357(16) . ?
O2E' C4E' 1.454(16) . ?
C1E' C2E' 1.29(3) . ?
C1E' H1E' 0.9500 . ?
C2E' B1E' 1.58(2) . ?
C2E' H2E' 0.9500 . ?
C3E' C4E' 1.50(2) . ?
C3E' C5E' 1.51(3) . ?
C3E' C6E' 1.56(3) . ?
C4E' C8E' 1.445(17) . ?
C4E' C7E' 1.60(2) . ?
C5E' H5ED 0.9800 . ?
C5E' H5EE 0.9800 . ?
C5E' H5EF 0.9800 . ?
C6E' H6ED 0.9800 . ?
C6E' H6EE 0.9800 . ?
C6E' H6EF 0.9800 . ?
C7E' H7ED 0.9800 . ?
C7E' H7EE 0.9800 . ?
C7E' H7EF 0.9800 . ?
C8E' H8ED 0.9800 . ?
C8E' H8EE 0.9800 . ?
C8E' H8EF 0.9800 . ?
Si1F C1F' 1.86(2) . ?
Si1F C21F 1.8690(14) . ?
Si1F C31F 1.8721(15) . ?
Si1F C11F 1.8809(13) . ?
Si1F C1F 1.892(3) . ?
C11F C16F 1.4013(18) . ?
C11F C12F 1.4041(19) . ?
C12F C13F 1.389(2) . ?
C12F H12F 0.9500 . ?
C13F C14F 1.389(2) . ?
C13F H13F 0.9500 . ?
C14F C15F 1.387(2) . ?
C14F H14F 0.9500 . ?
C15F C16F 1.3947(19) . ?
C15F H15F 0.9500 . ?
C16F H16F 0.9500 . ?
C21F C22F 1.399(2) . ?
C21F C26F 1.4044(19) . ?
C22F C23F 1.392(2) . ?
C22F H22F 0.9500 . ?
C23F C24F 1.391(2) . ?
C23F H23F 0.9500 . ?
C24F C25F 1.383(2) . ?
C24F H24F 0.9500 . ?
C25F C26F 1.388(2) . ?
C25F H25F 0.9500 . ?
C26F H26F 0.9500 . ?
C31F C32F 1.3949(19) . ?
C31F C36F 1.400(2) . ?
C32F C33F 1.388(2) . ?
C32F H32F 0.9500 . ?
C33F C34F 1.380(2) . ?
C33F H33F 0.9500 . ?
C34F C35F 1.383(2) . ?
C34F H34F 0.9500 . ?
C35F C36F 1.387(2) . ?
C35F H35F 0.9500 . ?
C36F H36F 0.9500 . ?
O1F B1F 1.370(2) . ?
O1F C3F 1.4568(16) . ?
O2F B1F 1.368(2) . ?
O2F C4F 1.465(2) . ?
C1F C2F 1.332(3) . ?
C1F H1F 0.9500 . ?
C2F B1F 1.560(2) . ?
C2F H2F 0.9500 . ?
C3F C5F 1.517(2) . ?
C3F C6F 1.521(2) . ?
C3F C4F 1.556(2) . ?
C4F C7F 1.524(3) . ?
C4F C8F 1.526(3) . ?
C5F H5FA 0.9800 . ?
C5F H5FB 0.9800 . ?
C5F H5FC 0.9800 . ?
C6F H6FA 0.9800 . ?
C6F H6FB 0.9800 . ?
C6F H6FC 0.9800 . ?
C7F H7FA 0.9800 . ?
C7F H7FB 0.9800 . ?
C7F H7FC 0.9800 . ?
C8F H8FA 0.9800 . ?
C8F H8FB 0.9800 . ?
C8F H8FC 0.9800 . ?
O1F' B1F' 1.354(17) . ?
O1F' C3F' 1.494(19) . ?
O2F' B1F' 1.386(15) . ?
O2F' C4F' 1.449(15) . ?
C1F' C2F' 1.30(2) . ?
C1F' H1F' 0.9500 . ?
C2F' B1F' 1.55(2) . ?
C2F' H2F' 0.9500 . ?
C3F' C5F' 1.51(2) . ?
C3F' C6F' 1.53(2) . ?
C3F' C4F' 1.536(19) . ?
C4F' C8F' 1.492(18) . ?
C4F' C7F' 1.57(2) . ?
C5F' H5FD 0.9800 . ?
C5F' H5FE 0.9800 . ?
C5F' H5FF 0.9800 . ?
C6F' H6FD 0.9800 . ?
C6F' H6FE 0.9800 . ?
C6F' H6FF 0.9800 . ?
C7F' H7FD 0.9800 . ?
C7F' H7FE 0.9800 . ?
C7F' H7FF 0.9800 . ?
C8F' H8FD 0.9800 . ?
C8F' H8FE 0.9800 . ?
C8F' H8FF 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
C31A Si1A C1A C2A -110.58(12) . . . . ?
C11A Si1A C1A C2A 9.12(14) . . . . ?
C21A Si1A C1A C2A 129.42(12) . . . . ?
Si1A C1A C2A B1A -178.30(10) . . . . ?
B1A O1A C3A C5A -146.72(13) . . . . ?
B1A O1A C3A C6A 93.77(13) . . . . ?
B1A O1A C3A C4A -25.22(13) . . . . ?
B1A O2A C4A C8A -145.11(12) . . . . ?
B1A O2A C4A C7A 95.44(13) . . . . ?
B1A O2A C4A C3A -23.88(13) . . . . ?
O1A C3A C4A O2A 29.59(12) . . . . ?
C5A C3A C4A O2A 147.34(12) . . . . ?
C6A C3A C4A O2A -84.45(13) . . . . ?
O1A C3A C4A C8A 147.06(12) . . . . ?
C5A C3A C4A C8A -95.19(15) . . . . ?
C6A C3A C4A C8A 33.02(16) . . . . ?
O1A C3A C4A C7A -84.66(13) . . . . ?
C5A C3A C4A C7A 33.09(17) . . . . ?
C6A C3A C4A C7A 161.30(12) . . . . ?
C31A Si1A C11A C16A 54.31(12) . . . . ?
C1A Si1A C11A C16A -64.76(11) . . . . ?
C21A Si1A C11A C16A 176.50(10) . . . . ?
C31A Si1A C11A C12A -128.88(11) . . . . ?
C1A Si1A C11A C12A 112.05(11) . . . . ?
C21A Si1A C11A C12A -6.69(13) . . . . ?
C16A C11A C12A C13A 0.40(19) . . . . ?
Si1A C11A C12A C13A -176.47(10) . . . . ?
C11A C12A C13A C14A -0.5(2) . . . . ?
C12A C13A C14A C15A 0.3(2) . . . . ?
C13A C14A C15A C16A 0.1(2) . . . . ?
C14A C15A C16A C11A -0.2(2) . . . . ?
C12A C11A C16A C15A -0.1(2) . . . . ?
Si1A C11A C16A C15A 176.91(11) . . . . ?
C31A Si1A C21A C26A 4.20(14) . . . . ?
C1A Si1A C21A C26A 123.67(12) . . . . ?
C11A Si1A C21A C26A -118.06(12) . . . . ?
C31A Si1A C21A C22A -173.11(10) . . . . ?
C1A Si1A C21A C22A -53.64(12) . . . . ?
C11A Si1A C21A C22A 64.62(12) . . . . ?
C26A C21A C22A C23A 0.0(2) . . . . ?
Si1A C21A C22A C23A 177.45(10) . . . . ?
C21A C22A C23A C24A 0.1(2) . . . . ?
C22A C23A C24A C25A 0.0(3) . . . . ?
C23A C24A C25A C26A -0.1(3) . . . . ?
C22A C21A C26A C25A -0.2(2) . . . . ?
Si1A C21A C26A C25A -177.56(14) . . . . ?
C24A C25A C26A C21A 0.2(3) . . . . ?
C1A Si1A C31A C36A 137.52(11) . . . . ?
C11A Si1A C31A C36A 19.34(13) . . . . ?
C21A Si1A C31A C36A -103.41(12) . . . . ?
C1A Si1A C31A C32A -41.59(12) . . . . ?
C11A Si1A C31A C32A -159.78(11) . . . . ?
C21A Si1A C31A C32A 77.47(12) . . . . ?
C36A C31A C32A C33A 0.4(2) . . . . ?
Si1A C31A C32A C33A 179.59(11) . . . . ?
C31A C32A C33A C34A -0.7(2) . . . . ?
C32A C33A C34A C35A 0.3(2) . . . . ?
C33A C34A C35A C36A 0.3(2) . . . . ?
C34A C35A C36A C31A -0.6(2) . . . . ?
C32A C31A C36A C35A 0.2(2) . . . . ?
Si1A C31A C36A C35A -178.97(11) . . . . ?
C4A O2A B1A O1A 9.06(15) . . . . ?
C4A O2A B1A C2A -173.00(12) . . . . ?
C3A O1A B1A O2A 11.38(15) . . . . ?
C3A O1A B1A C2A -166.63(12) . . . . ?
C1A C2A B1A O2A 6.8(2) . . . . ?
C1A C2A B1A O1A -175.38(13) . . . . ?
C1B Si1B C11B C12B 120.74(14) . . . . ?
C21B Si1B C11B C12B -0.33(13) . . . . ?
C31B Si1B C11B C12B -121.79(11) . . . . ?
C1B' Si1B C11B C12B 120.2(7) . . . . ?
C1B Si1B C11B C16B -58.65(14) . . . . ?
C21B Si1B C11B C16B -179.72(10) . . . . ?
C31B Si1B C11B C16B 58.82(12) . . . . ?
C1B' Si1B C11B C16B -59.2(7) . . . . ?
C16B C11B C12B C13B -0.3(2) . . . . ?
Si1B C11B C12B C13B -179.69(11) . . . . ?
C11B C12B C13B C14B -0.1(2) . . . . ?
C12B C13B C14B C15B 0.3(2) . . . . ?
C13B C14B C15B C16B -0.1(2) . . . . ?
C14B C15B C16B C11B -0.2(2) . . . . ?
C12B C11B C16B C15B 0.42(19) . . . . ?
Si1B C11B C16B C15B 179.84(10) . . . . ?
C1B Si1B C21B C22B -43.86(14) . . . . ?
C11B Si1B C21B C22B 79.97(12) . . . . ?
C31B Si1B C21B C22B -157.08(11) . . . . ?
C1B' Si1B C21B C22B -31.7(6) . . . . ?
C1B Si1B C21B C26B 132.77(13) . . . . ?
C11B Si1B C21B C26B -103.40(12) . . . . ?
C31B Si1B C21B C26B 19.54(13) . . . . ?
C1B' Si1B C21B C26B 144.9(6) . . . . ?
C26B C21B C22B C23B 0.1(2) . . . . ?
Si1B C21B C22B C23B 176.91(12) . . . . ?
C21B C22B C23B C24B 0.1(2) . . . . ?
C22B C23B C24B C25B -0.1(3) . . . . ?
C23B C24B C25B C26B -0.1(2) . . . . ?
C24B C25B C26B C21B 0.4(2) . . . . ?
C22B C21B C26B C25B -0.4(2) . . . . ?
Si1B C21B C26B C25B -177.13(12) . . . . ?
C1B Si1B C31B C36B 122.04(14) . . . . ?
C21B Si1B C31B C36B -123.14(11) . . . . ?
C11B Si1B C31B C36B 0.23(13) . . . . ?
C1B' Si1B C31B C36B 110.4(6) . . . . ?
C1B Si1B C31B C32B -55.47(14) . . . . ?
C21B Si1B C31B C32B 59.34(11) . . . . ?
C11B Si1B C31B C32B -177.29(10) . . . . ?
C1B' Si1B C31B C32B -67.1(6) . . . . ?
C36B C31B C32B C33B -0.4(2) . . . . ?
Si1B C31B C32B C33B 177.28(10) . . . . ?
C31B C32B C33B C34B 0.0(2) . . . . ?
C32B C33B C34B C35B 0.3(2) . . . . ?
C33B C34B C35B C36B -0.1(2) . . . . ?
C34B C35B C36B C31B -0.4(2) . . . . ?
C32B C31B C36B C35B 0.60(19) . . . . ?
Si1B C31B C36B C35B -176.93(10) . . . . ?
C21B Si1B C1B C2B 119.1(2) . . . . ?
C11B Si1B C1B C2B -4.4(3) . . . . ?
C31B Si1B C1B C2B -125.4(2) . . . . ?
Si1B C1B C2B B1B 174.36(16) . . . . ?
B1B O1B C3B C5B -94.10(17) . . . . ?
B1B O1B C3B C6B 147.00(17) . . . . ?
B1B O1B C3B C4B 24.49(18) . . . . ?
B1B O2B C4B C7B 144.63(16) . . . . ?
B1B O2B C4B C8B -96.10(17) . . . . ?
B1B O2B C4B C3B 22.69(17) . . . . ?
O1B C3B C4B O2B -28.30(17) . . . . ?
C5B C3B C4B O2B 85.86(19) . . . . ?
C6B C3B C4B O2B -145.98(18) . . . . ?
O1B C3B C4B C7B -145.19(15) . . . . ?
C5B C3B C4B C7B -31.0(2) . . . . ?
C6B C3B C4B C7B 97.1(2) . . . . ?
O1B C3B C4B C8B 86.53(17) . . . . ?
C5B C3B C4B C8B -159.31(18) . . . . ?
C6B C3B C4B C8B -31.1(3) . . . . ?
C4B O2B B1B O1B -8.10(19) . . . . ?
C4B O2B B1B C2B 175.14(15) . . . . ?
C3B O1B B1B O2B -11.5(2) . . . . ?
C3B O1B B1B C2B 165.25(16) . . . . ?
C1B C2B B1B O2B 13.3(3) . . . . ?
C1B C2B B1B O1B -163.1(2) . . . . ?
Si1B C1B' C2B' B1B' 178.5(11) . . . . ?
B1B' O1B' C3B' C5B' -145.0(14) . . . . ?
B1B' O1B' C3B' C6B' 96.0(14) . . . . ?
B1B' O1B' C3B' C4B' -24.8(16) . . . . ?
B1B' O2B' C4B' C8B' -145.3(16) . . . . ?
B1B' O2B' C4B' C7B' 93.2(18) . . . . ?
B1B' O2B' C4B' C3B' -26.6(19) . . . . ?
O1B' C3B' C4B' O2B' 32.0(18) . . . . ?
C5B' C3B' C4B' O2B' 150.2(15) . . . . ?
C6B' C3B' C4B' O2B' -82.0(19) . . . . ?
O1B' C3B' C4B' C8B' 148.6(16) . . . . ?
C5B' C3B' C4B' C8B' -93(2) . . . . ?
C6B' C3B' C4B' C8B' 35(2) . . . . ?
O1B' C3B' C4B' C7B' -84.5(19) . . . . ?
C5B' C3B' C4B' C7B' 34(2) . . . . ?
C6B' C3B' C4B' C7B' 161.5(17) . . . . ?
C3B' O1B' B1B' O2B' 9.0(19) . . . . ?
C3B' O1B' B1B' C2B' -161.9(13) . . . . ?
C4B' O2B' B1B' O1B' 13(2) . . . . ?
C4B' O2B' B1B' C2B' -176.0(15) . . . . ?
C1B' C2B' B1B' O1B' -173.5(17) . . . . ?
C1B' C2B' B1B' O2B' 16(2) . . . . ?
C1C Si1C C11C C12C 128.72(12) . . . . ?
C21C Si1C C11C C12C 7.47(13) . . . . ?
C31C Si1C C11C C12C -115.13(12) . . . . ?
C1C' Si1C C11C C12C 127.9(5) . . . . ?
C1C Si1C C11C C16C -52.19(13) . . . . ?
C21C Si1C C11C C16C -173.44(10) . . . . ?
C31C Si1C C11C C16C 63.96(12) . . . . ?
C1C' Si1C C11C C16C -53.0(5) . . . . ?
C16C C11C C12C C13C -0.6(2) . . . . ?
Si1C C11C C12C C13C 178.53(12) . . . . ?
C11C C12C C13C C14C 0.2(2) . . . . ?
C12C C13C C14C C15C 0.4(3) . . . . ?
C13C C14C C15C C16C -0.5(2) . . . . ?
C14C C15C C16C C11C 0.0(2) . . . . ?
C12C C11C C16C C15C 0.5(2) . . . . ?
Si1C C11C C16C C15C -178.63(10) . . . . ?
C1C Si1C C21C C26C 135.74(12) . . . . ?
C11C Si1C C21C C26C -100.76(12) . . . . ?
C31C Si1C C21C C26C 21.76(13) . . . . ?
C1C' Si1C C21C C26C 148.6(5) . . . . ?
C1C Si1C C21C C22C -43.74(14) . . . . ?
C11C Si1C C21C C22C 79.76(12) . . . . ?
C31C Si1C C21C C22C -157.71(11) . . . . ?
C1C' Si1C C21C C22C -30.8(5) . . . . ?
C26C C21C C22C C23C -0.5(2) . . . . ?
Si1C C21C C22C C23C 179.00(12) . . . . ?
C21C C22C C23C C24C 0.1(2) . . . . ?
C22C C23C C24C C25C 0.4(2) . . . . ?
C23C C24C C25C C26C -0.4(2) . . . . ?
C22C C21C C26C C25C 0.4(2) . . . . ?
Si1C C21C C26C C25C -179.07(11) . . . . ?
C24C C25C C26C C21C 0.0(2) . . . . ?
C1C Si1C C31C C36C 114.17(12) . . . . ?
C21C Si1C C31C C36C -129.63(11) . . . . ?
C11C Si1C C31C C36C -6.53(12) . . . . ?
C1C' Si1C C31C C36C 102.0(5) . . . . ?
C1C Si1C C31C C32C -61.56(12) . . . . ?
C21C Si1C C31C C32C 54.64(12) . . . . ?
C11C Si1C C31C C32C 177.74(10) . . . . ?
C1C' Si1C C31C C32C -73.8(5) . . . . ?
C36C C31C C32C C33C -0.42(19) . . . . ?
Si1C C31C C32C C33C 175.51(10) . . . . ?
C31C C32C C33C C34C -0.6(2) . . . . ?
C32C C33C C34C C35C 1.1(2) . . . . ?
C33C C34C C35C C36C -0.6(2) . . . . ?
C34C C35C C36C C31C -0.4(2) . . . . ?
C32C C31C C36C C35C 0.90(19) . . . . ?
Si1C C31C C36C C35C -174.91(10) . . . . ?
C21C Si1C C1C C2C 115.19(18) . . . . ?
C11C Si1C C1C C2C -7.7(2) . . . . ?
C31C Si1C C1C C2C -127.16(17) . . . . ?
Si1C C1C C2C B1C 174.32(13) . . . . ?
B1C O1C C3C C5C -95.24(16) . . . . ?
B1C O1C C3C C6C 146.57(17) . . . . ?
B1C O1C C3C C4C 23.83(17) . . . . ?
B1C O2C C4C C8C 143.63(16) . . . . ?
B1C O2C C4C C7C -97.09(17) . . . . ?
B1C O2C C4C C3C 22.30(17) . . . . ?
O1C C3C C4C O2C -27.78(16) . . . . ?
C5C C3C C4C O2C 86.38(16) . . . . ?
C6C C3C C4C O2C -145.40(16) . . . . ?
O1C C3C C4C C8C -144.57(14) . . . . ?
C5C C3C C4C C8C -30.4(2) . . . . ?
C6C C3C C4C C8C 97.8(2) . . . . ?
O1C C3C C4C C7C 87.51(17) . . . . ?
C5C C3C C4C C7C -158.33(17) . . . . ?
C6C C3C C4C C7C -30.1(2) . . . . ?
C4C O2C B1C O1C -8.09(18) . . . . ?
C4C O2C B1C C2C 175.74(14) . . . . ?
C3C O1C B1C O2C -11.07(18) . . . . ?
C3C O1C B1C C2C 165.09(15) . . . . ?
C1C C2C B1C O2C 13.4(3) . . . . ?
C1C C2C B1C O1C -162.40(17) . . . . ?
Si1C C1C' C2C' B1C' 177.7(11) . . . . ?
B1C' O1C' C3C' C6C' 96.5(13) . . . . ?
B1C' O1C' C3C' C5C' -144.9(13) . . . . ?
B1C' O1C' C3C' C4C' -26.5(15) . . . . ?
B1C' O2C' C4C' C8C' -146.7(14) . . . . ?
B1C' O2C' C4C' C7C' 94.3(14) . . . . ?
B1C' O2C' C4C' C3C' -28.4(15) . . . . ?
O1C' C3C' C4C' C8C' 148.5(16) . . . . ?
C6C' C3C' C4C' C8C' 31(2) . . . . ?
C5C' C3C' C4C' C8C' -94.2(18) . . . . ?
O1C' C3C' C4C' C7C' -82.3(16) . . . . ?
C6C' C3C' C4C' C7C' 159.9(15) . . . . ?
C5C' C3C' C4C' C7C' 34.9(19) . . . . ?
O1C' C3C' C4C' O2C' 34.2(15) . . . . ?
C6C' C3C' C4C' O2C' -83.6(16) . . . . ?
C5C' C3C' C4C' O2C' 151.5(12) . . . . ?
C3C' O1C' B1C' O2C' 8.8(17) . . . . ?
C3C' O1C' B1C' C2C' -165.6(13) . . . . ?
C4C' O2C' B1C' O1C' 13.8(17) . . . . ?
C4C' O2C' B1C' C2C' -171.7(14) . . . . ?
C1C' C2C' B1C' O1C' -172.0(15) . . . . ?
C1C' C2C' B1C' O2C' 14(2) . . . . ?
C31D Si1D C1D C2D -116.39(13) . . . . ?
C11D Si1D C1D C2D 6.53(15) . . . . ?
C21D Si1D C1D C2D 126.16(13) . . . . ?
Si1D C1D C2D B1D -174.08(10) . . . . ?
B1D O1D C3D C5D -147.41(13) . . . . ?
B1D O1D C3D C6D 93.50(14) . . . . ?
B1D O1D C3D C4D -24.93(13) . . . . ?
B1D O2D C4D C8D -144.42(14) . . . . ?
B1D O2D C4D C7D 96.60(14) . . . . ?
B1D O2D C4D C3D -22.59(14) . . . . ?
O1D C3D C4D O2D 28.56(13) . . . . ?
C5D C3D C4D O2D 146.91(12) . . . . ?
C6D C3D C4D O2D -85.32(14) . . . . ?
O1D C3D C4D C8D 145.49(12) . . . . ?
C5D C3D C4D C8D -96.16(16) . . . . ?
C6D C3D C4D C8D 31.61(18) . . . . ?
O1D C3D C4D C7D -86.57(14) . . . . ?
C5D C3D C4D C7D 31.77(18) . . . . ?
C6D C3D C4D C7D 159.54(14) . . . . ?
C1D Si1D C11D C16D -124.73(12) . . . . ?
C31D Si1D C11D C16D -3.27(13) . . . . ?
C21D Si1D C11D C16D 118.96(12) . . . . ?
C1D Si1D C11D C12D 54.72(12) . . . . ?
C31D Si1D C11D C12D 176.17(10) . . . . ?
C21D Si1D C11D C12D -61.59(12) . . . . ?
C16D C11D C12D C13D -0.6(2) . . . . ?
Si1D C11D C12D C13D 179.90(11) . . . . ?
C11D C12D C13D C14D 0.7(2) . . . . ?
C12D C13D C14D C15D -0.2(2) . . . . ?
C13D C14D C15D C16D -0.3(3) . . . . ?
C14D C15D C16D C11D 0.3(3) . . . . ?
C12D C11D C16D C15D 0.1(2) . . . . ?
Si1D C11D C16D C15D 179.59(12) . . . . ?
C1D Si1D C21D C22D -114.49(11) . . . . ?
C31D Si1D C21D C22D 128.21(11) . . . . ?
C11D Si1D C21D C22D 4.67(13) . . . . ?
C1D Si1D C21D C26D 62.07(12) . . . . ?
C31D Si1D C21D C26D -55.23(12) . . . . ?
C11D Si1D C21D C26D -178.77(10) . . . . ?
C26D C21D C22D C23D -0.77(19) . . . . ?
Si1D C21D C22D C23D 175.83(10) . . . . ?
C21D C22D C23D C24D 0.3(2) . . . . ?
C22D C23D C24D C25D 0.5(2) . . . . ?
C23D C24D C25D C26D -0.9(2) . . . . ?
C24D C25D C26D C21D 0.4(2) . . . . ?
C22D C21D C26D C25D 0.4(2) . . . . ?
Si1D C21D C26D C25D -176.31(11) . . . . ?
C1D Si1D C31D C36D 41.25(13) . . . . ?
C11D Si1D C31D C36D -80.76(12) . . . . ?
C21D Si1D C31D C36D 156.18(11) . . . . ?
C1D Si1D C31D C32D -137.11(11) . . . . ?
C11D Si1D C31D C32D 100.88(12) . . . . ?
C21D Si1D C31D C32D -22.18(13) . . . . ?
C36D C31D C32D C33D -0.1(2) . . . . ?
Si1D C31D C32D C33D 178.35(12) . . . . ?
C31D C32D C33D C34D -0.4(2) . . . . ?
C32D C33D C34D C35D 0.6(2) . . . . ?
C33D C34D C35D C36D -0.3(2) . . . . ?
C34D C35D C36D C31D -0.2(2) . . . . ?
C32D C31D C36D C35D 0.4(2) . . . . ?
Si1D C31D C36D C35D -178.04(11) . . . . ?
C3D O1D B1D O2D 12.01(16) . . . . ?
C3D O1D B1D C2D -164.30(13) . . . . ?
C4D O2D B1D O1D 7.69(16) . . . . ?
C4D O2D B1D C2D -175.91(13) . . . . ?
C1D C2D B1D O1D 162.09(14) . . . . ?
C1D C2D B1D O2D -13.9(2) . . . . ?
C1E' Si1E C11E C16E -119.9(13) . . . . ?
C21E Si1E C11E C16E 127.14(11) . . . . ?
C31E Si1E C11E C16E 4.79(13) . . . . ?
C1E Si1E C11E C16E -112.58(17) . . . . ?
C1E' Si1E C11E C12E 58.1(13) . . . . ?
C21E Si1E C11E C12E -54.91(11) . . . . ?
C31E Si1E C11E C12E -177.26(10) . . . . ?
C1E Si1E C11E C12E 65.36(17) . . . . ?
C16E C11E C12E C13E 0.58(19) . . . . ?
Si1E C11E C12E C13E -177.48(10) . . . . ?
C11E C12E C13E C14E -0.3(2) . . . . ?
C12E C13E C14E C15E -0.1(2) . . . . ?
C13E C14E C15E C16E 0.2(2) . . . . ?
C14E C15E C16E C11E 0.1(2) . . . . ?
C12E C11E C16E C15E -0.50(19) . . . . ?
Si1E C11E C16E C15E 177.48(10) . . . . ?
C1E' Si1E C21E C22E -132.9(13) . . . . ?
C11E Si1E C21E C22E -19.14(13) . . . . ?
C31E Si1E C21E C22E 104.19(11) . . . . ?
C1E Si1E C21E C22E -137.82(18) . . . . ?
C1E' Si1E C21E C26E 45.9(13) . . . . ?
C11E Si1E C21E C26E 159.68(11) . . . . ?
C31E Si1E C21E C26E -76.99(12) . . . . ?
C1E Si1E C21E C26E 41.00(19) . . . . ?
C26E C21E C22E C23E -0.1(2) . . . . ?
Si1E C21E C22E C23E 178.80(11) . . . . ?
C21E C22E C23E C24E -0.1(2) . . . . ?
C22E C23E C24E C25E 0.3(2) . . . . ?
C23E C24E C25E C26E -0.3(2) . . . . ?
C24E C25E C26E C21E 0.2(2) . . . . ?
C22E C21E C26E C25E 0.0(2) . . . . ?
Si1E C21E C26E C25E -178.85(11) . . . . ?
C1E' Si1E C31E C32E -117.4(13) . . . . ?
C21E Si1E C31E C32E 0.46(13) . . . . ?
C11E Si1E C31E C32E 122.07(11) . . . . ?
C1E Si1E C31E C32E -119.82(18) . . . . ?
C1E' Si1E C31E C36E 58.3(13) . . . . ?
C21E Si1E C31E C36E 176.17(10) . . . . ?
C11E Si1E C31E C36E -62.22(11) . . . . ?
C1E Si1E C31E C36E 55.88(19) . . . . ?
C36E C31E C32E C33E 0.4(2) . . . . ?
Si1E C31E C32E C33E 176.24(12) . . . . ?
C31E C32E C33E C34E -0.4(2) . . . . ?
C32E C33E C34E C35E 0.5(3) . . . . ?
C33E C34E C35E C36E -0.6(2) . . . . ?
C34E C35E C36E C31E 0.6(2) . . . . ?
C32E C31E C36E C35E -0.51(19) . . . . ?
Si1E C31E C36E C35E -176.40(10) . . . . ?
C21E Si1E C1E C2E 108.1(3) . . . . ?
C11E Si1E C1E C2E -11.1(4) . . . . ?
C31E Si1E C1E C2E -131.8(3) . . . . ?
Si1E C1E C2E B1E 176.48(18) . . . . ?
B1E O1E C3E C5E -93.50(14) . . . . ?
B1E O1E C3E C6E 147.63(14) . . . . ?
B1E O1E C3E C4E 26.03(16) . . . . ?
B1E O2E C4E C8E -96.36(18) . . . . ?
B1E O2E C4E C7E 144.21(18) . . . . ?
B1E O2E C4E C3E 23.61(18) . . . . ?
O1E C3E C4E O2E -29.96(16) . . . . ?
C5E C3E C4E O2E 84.06(16) . . . . ?
C6E C3E C4E O2E -147.96(15) . . . . ?
O1E C3E C4E C8E 84.64(18) . . . . ?
C5E C3E C4E C8E -161.34(16) . . . . ?
C6E C3E C4E C8E -33.4(2) . . . . ?
O1E C3E C4E C7E -146.91(17) . . . . ?
C5E C3E C4E C7E -32.9(2) . . . . ?
C6E C3E C4E C7E 95.1(2) . . . . ?
C4E O2E B1E O1E -8.22(19) . . . . ?
C4E O2E B1E C2E 174.46(16) . . . . ?
C3E O1E B1E O2E -12.43(18) . . . . ?
C3E O1E B1E C2E 164.96(14) . . . . ?
C1E C2E B1E O2E -7.5(3) . . . . ?
C1E C2E B1E O1E 175.4(3) . . . . ?
C21E Si1E C1E' C2E' -119(4) . . . . ?
C11E Si1E C1E' C2E' 125(4) . . . . ?
C31E Si1E C1E' C2E' 2(4) . . . . ?
Si1E C1E' C2E' B1E' -173(2) . . . . ?
B1E' O1E' C3E' C4E' -21.1(18) . . . . ?
B1E' O1E' C3E' C5E' -144.9(15) . . . . ?
B1E' O1E' C3E' C6E' 93.7(16) . . . . ?
B1E' O2E' C4E' C8E' -150.0(14) . . . . ?
B1E' O2E' C4E' C3E' -21.9(16) . . . . ?
B1E' O2E' C4E' C7E' 93.7(13) . . . . ?
C5E' C3E' C4E' C8E' -98(2) . . . . ?
O1E' C3E' C4E' C8E' 145.3(14) . . . . ?
C6E' C3E' C4E' C8E' 34(2) . . . . ?
C5E' C3E' C4E' O2E' 142.0(16) . . . . ?
O1E' C3E' C4E' O2E' 25.4(17) . . . . ?
C6E' C3E' C4E' O2E' -85.4(16) . . . . ?
C5E' C3E' C4E' C7E' 31(2) . . . . ?
O1E' C3E' C4E' C7E' -86.1(15) . . . . ?
C6E' C3E' C4E' C7E' 163.1(13) . . . . ?
C3E' O1E' B1E' O2E' 8.2(17) . . . . ?
C3E' O1E' B1E' C2E' -165.1(14) . . . . ?
C4E' O2E' B1E' O1E' 8.9(16) . . . . ?
C4E' O2E' B1E' C2E' -177.9(13) . . . . ?
C1E' C2E' B1E' O1E' 163(2) . . . . ?
C1E' C2E' B1E' O2E' -10(3) . . . . ?
C1F' Si1F C11F C16F -118.3(6) . . . . ?
C21F Si1F C11F C16F 133.39(11) . . . . ?
C31F Si1F C11F C16F 11.01(13) . . . . ?
C1F Si1F C11F C16F -104.57(14) . . . . ?
C1F' Si1F C11F C12F 58.7(6) . . . . ?
C21F Si1F C11F C12F -49.58(12) . . . . ?
C31F Si1F C11F C12F -171.96(10) . . . . ?
C1F Si1F C11F C12F 72.46(14) . . . . ?
C16F C11F C12F C13F 0.0(2) . . . . ?
Si1F C11F C12F C13F -177.10(11) . . . . ?
C11F C12F C13F C14F 0.4(2) . . . . ?
C12F C13F C14F C15F -0.4(2) . . . . ?
C13F C14F C15F C16F -0.1(2) . . . . ?
C14F C15F C16F C11F 0.6(2) . . . . ?
C12F C11F C16F C15F -0.6(2) . . . . ?
Si1F C11F C16F C15F 176.54(11) . . . . ?
C1F' Si1F C21F C22F -125.9(6) . . . . ?
C31F Si1F C21F C22F 103.15(12) . . . . ?
C11F Si1F C21F C22F -19.46(13) . . . . ?
C1F Si1F C21F C22F -140.30(14) . . . . ?
C1F' Si1F C21F C26F 54.3(6) . . . . ?
C31F Si1F C21F C26F -76.69(12) . . . . ?
C11F Si1F C21F C26F 160.70(11) . . . . ?
C1F Si1F C21F C26F 39.86(15) . . . . ?
C26F C21F C22F C23F -0.7(2) . . . . ?
Si1F C21F C22F C23F 179.49(11) . . . . ?
C21F C22F C23F C24F 0.0(2) . . . . ?
C22F C23F C24F C25F 0.9(2) . . . . ?
C23F C24F C25F C26F -1.2(2) . . . . ?
C24F C25F C26F C21F 0.5(2) . . . . ?
C22F C21F C26F C25F 0.4(2) . . . . ?
Si1F C21F C26F C25F -179.75(12) . . . . ?
C1F' Si1F C31F C32F -129.0(8) . . . . ?
C21F Si1F C31F C32F -8.69(14) . . . . ?
C11F Si1F C31F C32F 114.40(12) . . . . ?
C1F Si1F C31F C32F -128.26(15) . . . . ?
C1F' Si1F C31F C36F 49.3(8) . . . . ?
C21F Si1F C31F C36F 169.60(10) . . . . ?
C11F Si1F C31F C36F -67.30(12) . . . . ?
C1F Si1F C31F C36F 50.03(14) . . . . ?
C36F C31F C32F C33F 0.0(2) . . . . ?
Si1F C31F C32F C33F 178.37(13) . . . . ?
C31F C32F C33F C34F 0.5(3) . . . . ?
C32F C33F C34F C35F -0.7(3) . . . . ?
C33F C34F C35F C36F 0.4(2) . . . . ?
C34F C35F C36F C31F 0.1(2) . . . . ?
C32F C31F C36F C35F -0.4(2) . . . . ?
Si1F C31F C36F C35F -178.75(11) . . . . ?
C21F Si1F C1F C2F 111.6(2) . . . . ?
C31F Si1F C1F C2F -129.2(2) . . . . ?
C11F Si1F C1F C2F -10.7(2) . . . . ?
Si1F C1F C2F B1F 179.01(14) . . . . ?
B1F O1F C3F C5F -93.63(14) . . . . ?
B1F O1F C3F C6F 146.86(15) . . . . ?
B1F O1F C3F C4F 25.59(16) . . . . ?
B1F O2F C4F C7F -95.08(17) . . . . ?
B1F O2F C4F C8F 145.12(18) . . . . ?
B1F O2F C4F C3F 24.46(17) . . . . ?
O1F C3F C4F O2F -30.26(16) . . . . ?
C5F C3F C4F O2F 84.08(16) . . . . ?
C6F C3F C4F O2F -147.74(14) . . . . ?
O1F C3F C4F C7F 84.38(17) . . . . ?
C5F C3F C4F C7F -161.29(15) . . . . ?
C6F C3F C4F C7F -33.1(2) . . . . ?
O1F C3F C4F C8F -147.75(18) . . . . ?
C5F C3F C4F C8F -33.4(2) . . . . ?
C6F C3F C4F C8F 94.8(2) . . . . ?
C4F O2F B1F O1F -9.46(18) . . . . ?
C4F O2F B1F C2F 172.26(15) . . . . ?
C3F O1F B1F O2F -11.36(18) . . . . ?
C3F O1F B1F C2F 166.99(14) . . . . ?
C1F C2F B1F O2F -6.9(3) . . . . ?
C1F C2F B1F O1F 174.9(2) . . . . ?
C21F Si1F C1F' C2F' -112.8(17) . . . . ?
C31F Si1F C1F' C2F' 11(2) . . . . ?
C11F Si1F C1F' C2F' 132.5(17) . . . . ?
Si1F C1F' C2F' B1F' -174.3(12) . . . . ?
B1F' O1F' C3F' C5F' -145.1(13) . . . . ?
B1F' O1F' C3F' C6F' 95.7(13) . . . . ?
B1F' O1F' C3F' C4F' -21.4(15) . . . . ?
B1F' O2F' C4F' C8F' -145.9(13) . . . . ?
B1F' O2F' C4F' C3F' -20.4(14) . . . . ?
B1F' O2F' C4F' C7F' 96.5(13) . . . . ?
O1F' C3F' C4F' O2F' 25.4(15) . . . . ?
C5F' C3F' C4F' O2F' 142.8(15) . . . . ?
C6F' C3F' C4F' O2F' -85.4(14) . . . . ?
O1F' C3F' C4F' C8F' 145.0(12) . . . . ?
C5F' C3F' C4F' C8F' -97.6(19) . . . . ?
C6F' C3F' C4F' C8F' 34.2(19) . . . . ?
O1F' C3F' C4F' C7F' -87.7(15) . . . . ?
C5F' C3F' C4F' C7F' 30(2) . . . . ?
C6F' C3F' C4F' C7F' 161.5(14) . . . . ?
C3F' O1F' B1F' O2F' 9.7(15) . . . . ?
C3F' O1F' B1F' C2F' -165.5(12) . . . . ?
C4F' O2F' B1F' O1F' 7.3(15) . . . . ?
C4F' O2F' B1F' C2F' -177.5(12) . . . . ?
C1F' C2F' B1F' O1F' 160.2(16) . . . . ?
C1F' C2F' B1F' O2F' -15(2) . . . . ?
