#------------------------------------------------------------------------------
#$Date: 2023-05-05 06:07:14 +0300 (Fri, 05 May 2023) $
#$Revision: 283423 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/22/7062264.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_7062264
loop_
_publ_author_name
'Yoshizawa, Reina'
'Inagaki, Yusuke'
'Momma, Hiroyuki'
'Kwon, Eunsang'
'Ohara, Kazuaki'
'Yamaguchi, Kentaro'
'Setaka, Wataru'
_publ_section_title
;
 Synthesis and fluorescence properties of 9,9-dimethylfluorene-diyl
 bridged molecular gyrotops: effects of slight fluorophore motion on
 fluorescence efficiency in the solid state
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5946
_journal_page_last               5952
_journal_paper_doi               10.1039/D2NJ05873A
_journal_volume                  47
_journal_year                    2023
_chemical_compound_source        no
_chemical_formula_moiety         'C81 H144 Si2, 2(C2 H6 O)'
_chemical_formula_sum            'C85 H156 O2 Si2'
_chemical_formula_weight         1266.27
_chemical_melting_point          334.0(10)
_chemical_name_common            C22Flu
_chemical_name_systematic        C22Flu_2EtOH
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-11-30 deposited with the CCDC.	2023-02-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.3180(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.1454(8)
_cell_length_b                   24.9090(6)
_cell_length_c                   22.8091(5)
_cell_measurement_reflns_used    3276
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      41.07
_cell_measurement_theta_min      3.55
_cell_volume                     16915.0(7)
_computing_cell_refinement       'APEX3 v2019.1-0 (Bruker AXS)'
_computing_data_collection       'APEX3 v2019.1-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2020)'
_computing_publication_material  'WinGX (Farrugia, 2020)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Sir-2019 (IUCr, 2019)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'multilayered conforcal mirror'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1011
_diffrn_reflns_av_unetI/netI     0.0712
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            70491
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         67.998
_diffrn_reflns_theta_min         2.313
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.676
_exptl_absorpt_correction_T_max  0.938
_exptl_absorpt_correction_T_min  0.931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.994
_exptl_crystal_description       prism
_exptl_crystal_F_000             5680
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: tetrahydrofuran/ethanol'
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.784
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.434
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         15353
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.443
_refine_ls_R_factor_all          0.1921
_refine_ls_R_factor_gt           0.1390
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3924
_refine_ls_wR_factor_ref         0.4429
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8318
_reflns_number_total             15353
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj05873a3.cif
_cod_data_source_block           C22Flucage_2EtOH
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value '333-335' was changed to
'334.0(10)' -- the average value was taken and precision was
estimated.

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7062261--7062264.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7062264
_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   0.877
_shelx_estimated_absorpt_t_max   0.948
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.48239(5) 0.20430(5) 0.38012(8) 0.0892(5) Uani 1 1 d . . . . .
Si2 Si 0.70920(5) 0.53540(6) 0.55902(9) 0.0998(5) Uani 1 1 d . . . . .
C1 C 0.51551(16) 0.26699(18) 0.4188(2) 0.0806(11) Uani 1 1 d . . . . .
C2 C 0.53856(15) 0.29465(18) 0.3918(2) 0.0790(11) Uani 1 1 d . . . . .
H2 H 0.536985 0.281994 0.351407 0.095 Uiso 1 1 calc R U . . .
C3 C 0.56358(14) 0.33996(18) 0.4224(2) 0.0751(11) Uani 1 1 d . . . . .
C4 C 0.56585(15) 0.35941(17) 0.4810(2) 0.0751(11) Uani 1 1 d . . . . .
C5 C 0.54280(17) 0.33437(18) 0.5087(3) 0.0840(12) Uani 1 1 d . . . . .
H5 H 0.543762 0.348405 0.548099 0.101 Uiso 1 1 calc R U . . .
C6 C 0.51807(17) 0.28826(19) 0.4784(3) 0.0881(13) Uani 1 1 d . . . . .
H6 H 0.502580 0.270651 0.497914 0.106 Uiso 1 1 calc R U . . .
C7 C 0.66233(15) 0.48453(18) 0.5329(2) 0.0817(12) Uani 1 1 d . . . . .
C8 C 0.64601(15) 0.45233(19) 0.4749(2) 0.0814(12) Uani 1 1 d . . . . .
H8 H 0.657574 0.457301 0.444960 0.098 Uiso 1 1 calc R U . . .
C9 C 0.61367(14) 0.41380(17) 0.4607(2) 0.0756(11) Uani 1 1 d . . . . .
C10 C 0.59697(14) 0.40521(17) 0.5050(2) 0.0740(11) Uani 1 1 d . . . . .
C11 C 0.61204(16) 0.43689(19) 0.5619(3) 0.0854(12) Uani 1 1 d . . . . .
H11 H 0.600234 0.431865 0.591530 0.103 Uiso 1 1 calc R U . . .
C12 C 0.64437(16) 0.47596(19) 0.5756(3) 0.0862(12) Uani 1 1 d . . . . .
H12 H 0.654535 0.497351 0.614925 0.103 Uiso 1 1 calc R U . . .
C13 C 0.59158(15) 0.37475(19) 0.4017(2) 0.0809(12) Uani 1 1 d . . . . .
C14 C 0.56071(19) 0.4055(2) 0.3359(3) 0.1056(17) Uani 1 1 d . . . . .
H14A H 0.579108 0.427605 0.323243 0.158 Uiso 1 1 calc R U . . .
H14B H 0.543380 0.379676 0.299934 0.158 Uiso 1 1 calc R U . . .
H14C H 0.540116 0.428501 0.342946 0.158 Uiso 1 1 calc R U . . .
C15 C 0.62619(17) 0.3415(2) 0.3923(3) 0.0970(15) Uani 1 1 d . . . . .
H15A H 0.643382 0.365336 0.379094 0.146 Uiso 1 1 calc R U . . .
H15B H 0.646665 0.323590 0.434661 0.146 Uiso 1 1 calc R U . . .
H15C H 0.610522 0.314531 0.357185 0.146 Uiso 1 1 calc R U . . .
C16 C 0.47618(17) 0.16581(17) 0.4456(3) 0.0875(13) Uani 1 1 d . . . . .
H16A H 0.506202 0.161458 0.485674 0.105 Uiso 1 1 calc R U . . .
H16B H 0.457478 0.187005 0.459335 0.105 Uiso 1 1 calc R U . . .
C17 C 0.4548(2) 0.1100(2) 0.4222(3) 0.1045(16) Uani 1 1 d . . . . .
H17A H 0.426198 0.114184 0.379618 0.125 Uiso 1 1 calc R U . . .
H17B H 0.475051 0.087806 0.412569 0.125 Uiso 1 1 calc R U . . .
C18 C 0.44555(18) 0.0803(2) 0.4721(3) 0.1014(16) Uani 1 1 d . . . . .
H18A H 0.424511 0.102144 0.480365 0.122 Uiso 1 1 calc R U . . .
H18B H 0.430086 0.046258 0.451065 0.122 Uiso 1 1 calc R U . . .
C19 C 0.48576(16) 0.06737(19) 0.5388(3) 0.0944(15) Uani 1 1 d . . . . .
H19A H 0.499725 0.101407 0.562109 0.113 Uiso 1 1 calc R U . . .
H19B H 0.508053 0.048073 0.530824 0.113 Uiso 1 1 calc R U . . .
C20 C 0.4750(2) 0.0329(2) 0.5855(4) 0.1144(19) Uani 1 1 d . . . . .
H20A H 0.452880 0.052496 0.593575 0.137 Uiso 1 1 calc R U . . .
H20B H 0.460617 -0.000781 0.561703 0.137 Uiso 1 1 calc R U . . .
C21 C 0.5144(2) 0.0187(2) 0.6523(4) 0.1165(19) Uani 1 1 d . . . . .
H21A H 0.537523 0.001388 0.644326 0.140 Uiso 1 1 calc R U . . .
H21B H 0.504550 -0.008083 0.674368 0.140 Uiso 1 1 calc R U . . .
C22 C 0.53585(19) 0.0648(2) 0.6998(3) 0.1075(17) Uani 1 1 d . . . . .
H22A H 0.511967 0.085942 0.701713 0.129 Uiso 1 1 calc R U . . .
H22B H 0.550541 0.088452 0.681388 0.129 Uiso 1 1 calc R U . . .
C23 C 0.5705(2) 0.0487(3) 0.7710(4) 0.130(2) Uani 1 1 d . . . . .
H23A H 0.555289 0.026613 0.790020 0.156 Uiso 1 1 calc R U . . .
H23B H 0.593289 0.025654 0.768560 0.156 Uiso 1 1 calc R U . . .
C24 C 0.5947(3) 0.0944(3) 0.8195(4) 0.138(2) Uani 1 1 d . . . . .
H24A H 0.571876 0.119986 0.817387 0.166 Uiso 1 1 calc R U . . .
H24B H 0.610556 0.079554 0.865619 0.166 Uiso 1 1 calc R U . . .
C25 C 0.6269(3) 0.1239(3) 0.8079(4) 0.135(2) Uani 1 1 d . . . . .
H25A H 0.610794 0.140565 0.762783 0.161 Uiso 1 1 calc R U . . .
H25B H 0.648845 0.098131 0.807563 0.161 Uiso 1 1 calc R U . . .
C26 C 0.6526(3) 0.1676(3) 0.8590(4) 0.139(2) Uani 1 1 d . . . . .
H26A H 0.631135 0.194543 0.858572 0.166 Uiso 1 1 calc R U . . .
H26B H 0.668584 0.151596 0.904554 0.166 Uiso 1 1 calc R U . . .
C27 C 0.6846(2) 0.1937(3) 0.8443(4) 0.134(2) Uani 1 1 d . . . . .
H27A H 0.667930 0.210413 0.799305 0.161 Uiso 1 1 calc R U . . .
H27B H 0.704413 0.165797 0.841836 0.161 Uiso 1 1 calc R U . . .
C28 C 0.7135(3) 0.2354(4) 0.8927(4) 0.144(3) Uani 1 1 d . . . . .
H28A H 0.731831 0.218807 0.937436 0.173 Uiso 1 1 calc R U . . .
H28B H 0.694123 0.263051 0.896895 0.173 Uiso 1 1 calc R U . . .
C29 C 0.7444(3) 0.2623(3) 0.8711(4) 0.143(3) Uani 1 1 d . . . . .
H29A H 0.762990 0.234386 0.865556 0.172 Uiso 1 1 calc R U . . .
H29B H 0.725855 0.279522 0.826761 0.172 Uiso 1 1 calc R U . . .
C30 C 0.7734(3) 0.3018(5) 0.9176(4) 0.166(3) Uani 1 1 d . . . . .
H30A H 0.791233 0.284977 0.962373 0.200 Uiso 1 1 calc R U . . .
H30B H 0.754890 0.330527 0.921836 0.200 Uiso 1 1 calc R U . . .
C31 C 0.8065(3) 0.3278(5) 0.8959(5) 0.183(4) Uani 1 1 d . . . . .
H31A H 0.826082 0.353821 0.930759 0.219 Uiso 1 1 calc R U . . .
H31B H 0.825944 0.299246 0.893773 0.219 Uiso 1 1 calc R U . . .
C32 C 0.7834(3) 0.3555(5) 0.8302(4) 0.172(4) Uani 1 1 d . . . . .
H32A H 0.765104 0.328675 0.795436 0.207 Uiso 1 1 calc R U . . .
H32B H 0.762411 0.382087 0.831842 0.207 Uiso 1 1 calc R U . . .
C33 C 0.8115(5) 0.3829(4) 0.8087(5) 0.197(5) Uani 1 1 d . . . . .
H33A H 0.827284 0.355929 0.795914 0.236 Uiso 1 1 calc R U . . .
H33B H 0.834502 0.404041 0.846748 0.236 Uiso 1 1 calc R U . . .
C34 C 0.7842(4) 0.4208(5) 0.7483(4) 0.179(4) Uani 1 1 d D . . . .
H34A H 0.761302 0.399605 0.710235 0.214 Uiso 1 1 calc R U . . .
H34B H 0.768354 0.447643 0.761055 0.214 Uiso 1 1 calc R U . . .
C35 C 0.8116(3) 0.4479(5) 0.7271(5) 0.194(4) Uani 1 1 d D . . . .
H35A H 0.833620 0.422718 0.726017 0.233 Uiso 1 1 calc R U . . .
H35B H 0.828253 0.477310 0.758846 0.233 Uiso 1 1 calc R U . . .
C36 C 0.7811(3) 0.4711(3) 0.6561(4) 0.152(3) Uani 1 1 d . . . . .
H36A H 0.800367 0.477778 0.635667 0.183 Uiso 1 1 calc R U . . .
H36B H 0.759674 0.442473 0.629266 0.183 Uiso 1 1 calc R U . . .
C37 C 0.7540(2) 0.5214(3) 0.6465(3) 0.122(2) Uani 1 1 d . . . . .
H37A H 0.774850 0.552367 0.662526 0.146 Uiso 1 1 calc R U . . .
H37B H 0.739936 0.518922 0.675469 0.146 Uiso 1 1 calc R U . . .
C38 C 0.5129(2) 0.1621(2) 0.3471(3) 0.1115(18) Uani 1 1 d . . . . .
H38A H 0.492412 0.133453 0.318308 0.134 Uiso 1 1 calc R U . . .
H38B H 0.520348 0.184862 0.318308 0.134 Uiso 1 1 calc R U . . .
C39 C 0.5561(2) 0.1359(3) 0.4007(4) 0.127(2) Uani 1 1 d . . . . .
H39A H 0.548668 0.115412 0.431194 0.153 Uiso 1 1 calc R U . . .
H39B H 0.576935 0.164983 0.427732 0.153 Uiso 1 1 calc R U . . .
C40 C 0.5814(3) 0.0984(4) 0.3779(6) 0.173(4) Uani 1 1 d . . . . .
H40A H 0.605500 0.080632 0.418294 0.208 Uiso 1 1 calc R U . . .
H40B H 0.560302 0.070077 0.349493 0.208 Uiso 1 1 calc R U . . .
C41 C 0.6002(5) 0.1208(5) 0.3432(7) 0.204(5) Uani 1 1 d . . . . .
H41A H 0.575369 0.131581 0.298632 0.245 Uiso 1 1 calc R U . . .
H41B H 0.617180 0.092196 0.335257 0.245 Uiso 1 1 calc R U . . .
C42 C 0.6309(5) 0.1681(7) 0.3718(7) 0.235(7) Uani 1 1 d . . . . .
H42A H 0.640986 0.180688 0.340162 0.281 Uiso 1 1 calc R U . . .
H42B H 0.615352 0.198078 0.380485 0.281 Uiso 1 1 calc R U . . .
C43 C 0.6679(6) 0.1503(7) 0.4325(8) 0.246(6) Uani 1 1 d . . . . .
H43A H 0.676613 0.114139 0.424878 0.296 Uiso 1 1 calc R U . . .
H43B H 0.658092 0.146568 0.466604 0.296 Uiso 1 1 calc R U . . .
C44 C 0.7080(7) 0.1851(7) 0.4605(8) 0.274(9) Uani 1 1 d . . . . .
H44A H 0.699408 0.219424 0.472941 0.329 Uiso 1 1 calc R U . . .
H44B H 0.730685 0.168203 0.502921 0.329 Uiso 1 1 calc R U . . .
C45 C 0.7304(5) 0.1985(8) 0.4237(6) 0.256(8) Uani 1 1 d D . . . .
H45A H 0.707129 0.199924 0.375654 0.307 Uiso 1 1 calc R U . . .
H45B H 0.741932 0.235532 0.436805 0.307 Uiso 1 1 calc R U . . .
C46 C 0.7656(4) 0.1679(7) 0.4273(7) 0.259(9) Uani 1 1 d D . . . .
H46A H 0.753449 0.130973 0.416518 0.310 Uiso 1 1 calc R U . . .
H46B H 0.788118 0.167445 0.475787 0.310 Uiso 1 1 calc R U . . .
C47 C 0.7914(3) 0.1730(5) 0.3947(6) 0.186(4) Uani 1 1 d . . . . .
H47A H 0.770208 0.171963 0.345756 0.223 Uiso 1 1 calc R U . . .
H47B H 0.810334 0.140459 0.405633 0.223 Uiso 1 1 calc R U . . .
C48 C 0.8214(3) 0.2200(6) 0.4074(5) 0.198(5) Uani 1 1 d . . . . .
H48A H 0.802922 0.252320 0.401567 0.237 Uiso 1 1 calc R U . . .
H48B H 0.844282 0.218572 0.455600 0.237 Uiso 1 1 calc R U . . .
C49 C 0.8441(3) 0.2296(5) 0.3729(6) 0.181(4) Uani 1 1 d . . . . .
H49A H 0.820993 0.230296 0.324746 0.218 Uiso 1 1 calc R U . . .
H49B H 0.862540 0.197252 0.379216 0.218 Uiso 1 1 calc R U . . .
C50 C 0.8746(4) 0.2772(5) 0.3833(7) 0.206(5) Uani 1 1 d . . . . .
H50A H 0.900221 0.274763 0.429612 0.247 Uiso 1 1 calc R U . . .
H50B H 0.886966 0.272627 0.352352 0.247 Uiso 1 1 calc R U . . .
C51 C 0.8559(4) 0.3338(6) 0.3737(7) 0.221(6) Uani 1 1 d . . . . .
H51A H 0.832643 0.338430 0.326004 0.265 Uiso 1 1 calc R U . . .
H51B H 0.841053 0.338172 0.401381 0.265 Uiso 1 1 calc R U . . .
C52 C 0.8890(3) 0.3749(5) 0.3913(6) 0.188(5) Uani 1 1 d . . . . .
H52A H 0.904430 0.370610 0.364441 0.226 Uiso 1 1 calc R U . . .
H52B H 0.911729 0.371687 0.439429 0.226 Uiso 1 1 calc R U . . .
C53 C 0.8651(5) 0.4347(6) 0.3769(6) 0.220(6) Uani 1 1 d . . . . .
H53A H 0.886461 0.461921 0.377757 0.264 Uiso 1 1 calc R U . . .
H53B H 0.838440 0.434968 0.331424 0.264 Uiso 1 1 calc R U . . .
C54 C 0.8503(3) 0.4504(5) 0.4292(5) 0.168(4) Uani 1 1 d D . . . .
H54A H 0.828927 0.422572 0.426952 0.202 Uiso 1 1 calc R U . . .
H54B H 0.877231 0.447470 0.474215 0.202 Uiso 1 1 calc R U . . .
C55 C 0.8306(3) 0.5004(5) 0.4263(4) 0.175(4) Uani 1 1 d D . . . .
H55A H 0.804619 0.505517 0.380761 0.210 Uiso 1 1 calc R U . . .
H55B H 0.852676 0.529095 0.433925 0.210 Uiso 1 1 calc R U . . .
C56 C 0.8148(2) 0.5060(4) 0.4783(5) 0.167(4) Uani 1 1 d . . . . .
H56A H 0.841011 0.502667 0.523940 0.200 Uiso 1 1 calc R U . . .
H56B H 0.793872 0.476214 0.472138 0.200 Uiso 1 1 calc R U . . .
C57 C 0.7911(3) 0.5595(5) 0.4731(5) 0.170(3) Uani 1 1 d . . . . .
H57A H 0.812843 0.589031 0.482675 0.204 Uiso 1 1 calc R U . . .
H57B H 0.766475 0.564032 0.426354 0.204 Uiso 1 1 calc R U . . .
C58 C 0.7725(2) 0.5644(4) 0.5187(4) 0.143(3) Uani 1 1 d . . . . .
H58A H 0.796634 0.556319 0.564957 0.171 Uiso 1 1 calc R U . . .
H58B H 0.763357 0.602205 0.518210 0.171 Uiso 1 1 calc R U . . .
C59 C 0.7341(2) 0.5299(4) 0.5034(3) 0.138(3) Uani 1 1 d . . . . .
H59A H 0.743510 0.492146 0.504385 0.166 Uiso 1 1 calc R U . . .
H59B H 0.710302 0.537674 0.456902 0.166 Uiso 1 1 calc R U . . .
C60 C 0.42588(18) 0.2234(2) 0.3094(3) 0.0993(15) Uani 1 1 d . . . . .
H60A H 0.430196 0.244204 0.276009 0.119 Uiso 1 1 calc R U . . .
H60B H 0.409474 0.190128 0.286933 0.119 Uiso 1 1 calc R U . . .
C61 C 0.39666(17) 0.2563(2) 0.3297(3) 0.0998(15) Uani 1 1 d . . . . .
H61A H 0.414050 0.287889 0.355720 0.120 Uiso 1 1 calc R U . . .
H61B H 0.389925 0.234164 0.359762 0.120 Uiso 1 1 calc R U . . .
C62 C 0.35210(18) 0.2758(3) 0.2704(3) 0.1038(16) Uani 1 1 d . . . . .
H62A H 0.358714 0.298772 0.240912 0.125 Uiso 1 1 calc R U . . .
H62B H 0.334858 0.244359 0.243778 0.125 Uiso 1 1 calc R U . . .
C63 C 0.32386(19) 0.3067(3) 0.2917(3) 0.123(2) Uani 1 1 d . . . . .
H63A H 0.341214 0.338236 0.317922 0.148 Uiso 1 1 calc R U . . .
H63B H 0.318039 0.283792 0.322092 0.148 Uiso 1 1 calc R U . . .
C64 C 0.2786(2) 0.3264(4) 0.2344(4) 0.143(3) Uani 1 1 d . . . . .
H64A H 0.261517 0.295200 0.206761 0.172 Uiso 1 1 calc R U . . .
H64B H 0.260984 0.342264 0.254046 0.172 Uiso 1 1 calc R U . . .
C65 C 0.2832(2) 0.3676(4) 0.1894(4) 0.146(3) Uani 1 1 d . . . . .
H65A H 0.253867 0.372529 0.148237 0.175 Uiso 1 1 calc R U . . .
H65B H 0.305016 0.354568 0.175883 0.175 Uiso 1 1 calc R U . . .
C66 C 0.2998(3) 0.4233(4) 0.2276(4) 0.156(3) Uani 1 1 d . . . . .
H66A H 0.275702 0.438402 0.234746 0.187 Uiso 1 1 calc R U . . .
H66B H 0.326191 0.416644 0.272346 0.187 Uiso 1 1 calc R U . . .
C67 C 0.3116(3) 0.4614(4) 0.1935(4) 0.151(3) Uani 1 1 d . . . . .
H67A H 0.284731 0.470178 0.150160 0.181 Uiso 1 1 calc R U . . .
H67B H 0.334253 0.445485 0.183465 0.181 Uiso 1 1 calc R U . . .
C68 C 0.3306(3) 0.5132(4) 0.2332(4) 0.154(3) Uani 1 1 d . . . . .
H68A H 0.307377 0.529415 0.241632 0.185 Uiso 1 1 calc R U . . .
H68B H 0.356463 0.503778 0.277430 0.185 Uiso 1 1 calc R U . . .
C69 C 0.3459(3) 0.5553(5) 0.2013(4) 0.159(3) Uani 1 1 d . . . . .
H69A H 0.366963 0.538688 0.188466 0.191 Uiso 1 1 calc R U . . .
H69B H 0.319582 0.568470 0.159777 0.191 Uiso 1 1 calc R U . . .
C70 C 0.3682(3) 0.6011(5) 0.2461(4) 0.155(3) Uani 1 1 d . . . . .
H70A H 0.346453 0.619580 0.256058 0.186 Uiso 1 1 calc R U . . .
H70B H 0.393138 0.587747 0.289113 0.186 Uiso 1 1 calc R U . . .
C71 C 0.3856(4) 0.6388(6) 0.2173(6) 0.192(4) Uani 1 1 d . . . . .
H71A H 0.360577 0.655347 0.176842 0.231 Uiso 1 1 calc R U . . .
H71B H 0.405512 0.620186 0.203767 0.231 Uiso 1 1 calc R U . . .
C72 C 0.4123(5) 0.6828(6) 0.2701(7) 0.209(6) Uani 1 1 d D . . . .
H72A H 0.391660 0.700608 0.282939 0.251 Uiso 1 1 calc R U . . .
H72B H 0.436069 0.665014 0.310883 0.251 Uiso 1 1 calc R U . . .
C73 C 0.4334(6) 0.7243(6) 0.2493(8) 0.234(6) Uani 1 1 d D . . . .
H73A H 0.409286 0.744394 0.211364 0.280 Uiso 1 1 calc R U . . .
H73B H 0.451618 0.706257 0.232256 0.280 Uiso 1 1 calc R U . . .
C74 C 0.4624(3) 0.7634(5) 0.3015(6) 0.179(4) Uani 1 1 d . . . . .
H74A H 0.472563 0.791236 0.280977 0.214 Uiso 1 1 calc R U . . .
H74B H 0.444885 0.781347 0.319958 0.214 Uiso 1 1 calc R U . . .
C75 C 0.5011(4) 0.7370(4) 0.3555(5) 0.167(3) Uani 1 1 d . . . . .
H75A H 0.511727 0.708090 0.336938 0.201 Uiso 1 1 calc R U . . .
H75B H 0.492822 0.720801 0.387493 0.201 Uiso 1 1 calc R U . . .
C76 C 0.5377(4) 0.7776(4) 0.3910(5) 0.177(4) Uani 1 1 d . . . . .
H76A H 0.525241 0.809175 0.402717 0.212 Uiso 1 1 calc R U . . .
H76B H 0.548574 0.789897 0.360226 0.212 Uiso 1 1 calc R U . . .
C77 C 0.5788(3) 0.7543(3) 0.4576(4) 0.130(2) Uani 1 1 d . . . . .
H77A H 0.600800 0.783515 0.480155 0.156 Uiso 1 1 calc R U . . .
H77B H 0.567712 0.742731 0.488371 0.156 Uiso 1 1 calc R U . . .
C78 C 0.6029(3) 0.7073(3) 0.4466(4) 0.130(2) Uani 1 1 d . . . . .
H78A H 0.580188 0.680552 0.417594 0.156 Uiso 1 1 calc R U . . .
H78B H 0.618302 0.720340 0.422214 0.156 Uiso 1 1 calc R U . . .
C79 C 0.6346(2) 0.6817(3) 0.5062(4) 0.139(3) Uani 1 1 d . . . . .
H79A H 0.619910 0.675851 0.533770 0.167 Uiso 1 1 calc R U . . .
H79B H 0.659184 0.707755 0.530860 0.167 Uiso 1 1 calc R U . . .
C80 C 0.6567(2) 0.6287(2) 0.5054(3) 0.1107(17) Uani 1 1 d . . . . .
H80A H 0.632402 0.602165 0.481564 0.133 Uiso 1 1 calc R U . . .
H80B H 0.671425 0.634122 0.477716 0.133 Uiso 1 1 calc R U . . .
C81 C 0.6886(2) 0.6052(3) 0.5666(4) 0.123(2) Uani 1 1 d . . . . .
H81A H 0.675358 0.602655 0.596543 0.148 Uiso 1 1 calc R U . . .
H81B H 0.714931 0.629404 0.588434 0.148 Uiso 1 1 calc R U . . .
C91 C 0.4370(3) 0.4089(4) 0.3299(4) 0.147(3) Uani 1 1 d . . . . .
H91A H 0.412370 0.384614 0.301468 0.220 Uiso 1 1 calc R U . . .
H91B H 0.431970 0.444014 0.308076 0.220 Uiso 1 1 calc R U . . .
H91C H 0.465480 0.393914 0.336663 0.220 Uiso 1 1 calc R U . . .
C92 C 0.4389(2) 0.4149(3) 0.3945(4) 0.132(2) Uani 1 1 d . . . . .
H92A H 0.410097 0.429667 0.387900 0.158 Uiso 1 1 calc R U . . .
H92B H 0.443686 0.379448 0.416555 0.158 Uiso 1 1 calc R U . . .
O1 O 0.4747(2) 0.45016(19) 0.4359(3) 0.1581(19) Uani 1 1 d . . . . .
H1 H 0.475513 0.454001 0.473086 0.237 Uiso 1 1 calc R U . . .
C93 C 0.5191(4) 0.5568(4) 0.3470(7) 0.205(5) Uani 1 1 d . . . . .
H93A H 0.546637 0.559411 0.343818 0.308 Uiso 1 1 calc R U . . .
H93B H 0.503572 0.523205 0.326381 0.308 Uiso 1 1 calc R U . . .
H93C H 0.499436 0.587262 0.323429 0.308 Uiso 1 1 calc R U . . .
C94 C 0.5304(4) 0.5578(4) 0.4170(6) 0.180(4) Uani 1 1 d . . . . .
H94A H 0.550998 0.527566 0.440362 0.216 Uiso 1 1 calc R U . . .
H94B H 0.546871 0.591486 0.437416 0.216 Uiso 1 1 calc R U . . .
O2 O 0.49297(18) 0.5543(2) 0.4285(3) 0.1417(16) Uani 1 1 d . . . . .
H2A H 0.476421 0.528631 0.406326 0.213 Uiso 1 1 calc R U . . .
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'
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
C60 Si1 C16 110.2(3) . . ?
C60 Si1 C1 108.9(2) . . ?
C16 Si1 C1 109.2(2) . . ?
C60 Si1 C38 109.7(3) . . ?
C16 Si1 C38 109.6(2) . . ?
C1 Si1 C38 109.2(2) . . ?
C59 Si2 C37 108.1(3) . . ?
C59 Si2 C7 109.7(3) . . ?
C37 Si2 C7 109.7(3) . . ?
C59 Si2 C81 116.3(4) . . ?
C37 Si2 C81 102.6(3) . . ?
C7 Si2 C81 110.2(3) . . ?
C2 C1 C6 117.0(4) . . ?
C2 C1 Si1 122.9(3) . . ?
C6 C1 Si1 120.1(3) . . ?
C3 C2 C1 121.6(4) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C2 C3 C4 120.0(4) . . ?
C2 C3 C13 129.4(4) . . ?
C4 C3 C13 110.6(4) . . ?
C5 C4 C3 120.6(4) . . ?
C5 C4 C10 130.7(4) . . ?
C3 C4 C10 108.6(4) . . ?
C4 C5 C6 119.3(4) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C1 121.4(4) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
C12 C7 C8 117.4(4) . . ?
C12 C7 Si2 118.3(4) . . ?
C8 C7 Si2 124.2(4) . . ?
C9 C8 C7 121.5(4) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 120.0(4) . . ?
C8 C9 C13 130.2(4) . . ?
C10 C9 C13 109.8(4) . . ?
C11 C10 C9 119.6(4) . . ?
C11 C10 C4 131.3(4) . . ?
C9 C10 C4 109.0(4) . . ?
C10 C11 C12 120.1(4) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C7 121.4(5) . . ?
C11 C12 H12 119.3 . . ?
C7 C12 H12 119.3 . . ?
C3 C13 C9 101.7(4) . . ?
C3 C13 C15 112.1(4) . . ?
C9 C13 C15 112.5(4) . . ?
C3 C13 C14 110.3(4) . . ?
C9 C13 C14 110.3(4) . . ?
C15 C13 C14 109.6(4) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 Si1 113.9(4) . . ?
C17 C16 H16A 108.8 . . ?
Si1 C16 H16A 108.8 . . ?
C17 C16 H16B 108.8 . . ?
Si1 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
C18 C17 C16 114.7(5) . . ?
C18 C17 H17A 108.6 . . ?
C16 C17 H17A 108.6 . . ?
C18 C17 H17B 108.6 . . ?
C16 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
C19 C18 C17 116.2(4) . . ?
C19 C18 H18A 108.2 . . ?
C17 C18 H18A 108.2 . . ?
C19 C18 H18B 108.2 . . ?
C17 C18 H18B 108.2 . . ?
H18A C18 H18B 107.4 . . ?
C18 C19 C20 114.2(4) . . ?
C18 C19 H19A 108.7 . . ?
C20 C19 H19A 108.7 . . ?
C18 C19 H19B 108.7 . . ?
C20 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
C21 C20 C19 115.7(5) . . ?
C21 C20 H20A 108.4 . . ?
C19 C20 H20A 108.4 . . ?
C21 C20 H20B 108.4 . . ?
C19 C20 H20B 108.4 . . ?
H20A C20 H20B 107.4 . . ?
C20 C21 C22 115.5(5) . . ?
C20 C21 H21A 108.4 . . ?
C22 C21 H21A 108.4 . . ?
C20 C21 H21B 108.4 . . ?
C22 C21 H21B 108.4 . . ?
H21A C21 H21B 107.5 . . ?
C21 C22 C23 114.7(5) . . ?
C21 C22 H22A 108.6 . . ?
C23 C22 H22A 108.6 . . ?
C21 C22 H22B 108.6 . . ?
C23 C22 H22B 108.6 . . ?
H22A C22 H22B 107.6 . . ?
C24 C23 C22 116.1(6) . . ?
C24 C23 H23A 108.3 . . ?
C22 C23 H23A 108.3 . . ?
C24 C23 H23B 108.3 . . ?
C22 C23 H23B 108.3 . . ?
H23A C23 H23B 107.4 . . ?
C25 C24 C23 116.1(7) . . ?
C25 C24 H24A 108.3 . . ?
C23 C24 H24A 108.3 . . ?
C25 C24 H24B 108.3 . . ?
C23 C24 H24B 108.3 . . ?
H24A C24 H24B 107.4 . . ?
C24 C25 C26 115.3(7) . . ?
C24 C25 H25A 108.4 . . ?
C26 C25 H25A 108.4 . . ?
C24 C25 H25B 108.4 . . ?
C26 C25 H25B 108.4 . . ?
H25A C25 H25B 107.5 . . ?
C27 C26 C25 111.2(7) . . ?
C27 C26 H26A 109.4 . . ?
C25 C26 H26A 109.4 . . ?
C27 C26 H26B 109.4 . . ?
C25 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C26 C27 C28 116.4(7) . . ?
C26 C27 H27A 108.2 . . ?
C28 C27 H27A 108.2 . . ?
C26 C27 H27B 108.2 . . ?
C28 C27 H27B 108.2 . . ?
H27A C27 H27B 107.3 . . ?
C27 C28 C29 112.3(7) . . ?
C27 C28 H28A 109.1 . . ?
C29 C28 H28A 109.1 . . ?
C27 C28 H28B 109.1 . . ?
C29 C28 H28B 109.1 . . ?
H28A C28 H28B 107.9 . . ?
C30 C29 C28 113.6(8) . . ?
C30 C29 H29A 108.8 . . ?
C28 C29 H29A 108.8 . . ?
C30 C29 H29B 108.8 . . ?
C28 C29 H29B 108.8 . . ?
H29A C29 H29B 107.7 . . ?
C29 C30 C31 113.0(8) . . ?
C29 C30 H30A 109.0 . . ?
C31 C30 H30A 109.0 . . ?
C29 C30 H30B 109.0 . . ?
C31 C30 H30B 109.0 . . ?
H30A C30 H30B 107.8 . . ?
C32 C31 C30 113.7(8) . . ?
C32 C31 H31A 108.8 . . ?
C30 C31 H31A 108.8 . . ?
C32 C31 H31B 108.8 . . ?
C30 C31 H31B 108.8 . . ?
H31A C31 H31B 107.7 . . ?
C33 C32 C31 116.8(9) . . ?
C33 C32 H32A 108.1 . . ?
C31 C32 H32A 108.1 . . ?
C33 C32 H32B 108.1 . . ?
C31 C32 H32B 108.1 . . ?
H32A C32 H32B 107.3 . . ?
C32 C33 C34 112.3(10) . . ?
C32 C33 H33A 109.1 . . ?
C34 C33 H33A 109.1 . . ?
C32 C33 H33B 109.1 . . ?
C34 C33 H33B 109.1 . . ?
H33A C33 H33B 107.9 . . ?
C35 C34 C33 112.7(9) . . ?
C35 C34 H34A 109.1 . . ?
C33 C34 H34A 109.1 . . ?
C35 C34 H34B 109.1 . . ?
C33 C34 H34B 109.1 . . ?
H34A C34 H34B 107.8 . . ?
C34 C35 C36 108.5(8) . . ?
C34 C35 H35A 110.0 . . ?
C36 C35 H35A 110.0 . . ?
C34 C35 H35B 110.0 . . ?
C36 C35 H35B 110.0 . . ?
H35A C35 H35B 108.4 . . ?
C37 C36 C35 120.9(8) . . ?
C37 C36 H36A 107.1 . . ?
C35 C36 H36A 107.1 . . ?
C37 C36 H36B 107.1 . . ?
C35 C36 H36B 107.1 . . ?
H36A C36 H36B 106.8 . . ?
C36 C37 Si2 115.8(4) . . ?
C36 C37 H37A 108.3 . . ?
Si2 C37 H37A 108.3 . . ?
C36 C37 H37B 108.3 . . ?
Si2 C37 H37B 108.3 . . ?
H37A C37 H37B 107.4 . . ?
C39 C38 Si1 115.2(4) . . ?
C39 C38 H38A 108.5 . . ?
Si1 C38 H38A 108.5 . . ?
C39 C38 H38B 108.5 . . ?
Si1 C38 H38B 108.5 . . ?
H38A C38 H38B 107.5 . . ?
C38 C39 C40 118.2(7) . . ?
C38 C39 H39A 107.7 . . ?
C40 C39 H39A 107.7 . . ?
C38 C39 H39B 107.7 . . ?
C40 C39 H39B 107.7 . . ?
H39A C39 H39B 107.1 . . ?
C41 C40 C39 117.1(8) . . ?
C41 C40 H40A 108.0 . . ?
C39 C40 H40A 108.0 . . ?
C41 C40 H40B 108.0 . . ?
C39 C40 H40B 108.0 . . ?
H40A C40 H40B 107.3 . . ?
C40 C41 C42 119.9(11) . . ?
C40 C41 H41A 107.3 . . ?
C42 C41 H41A 107.3 . . ?
C40 C41 H41B 107.3 . . ?
C42 C41 H41B 107.3 . . ?
H41A C41 H41B 106.9 . . ?
C43 C42 C41 106.1(14) . . ?
C43 C42 H42A 110.5 . . ?
C41 C42 H42A 110.5 . . ?
C43 C42 H42B 110.5 . . ?
C41 C42 H42B 110.5 . . ?
H42A C42 H42B 108.7 . . ?
C42 C43 C44 115.7(16) . . ?
C42 C43 H43A 108.4 . . ?
C44 C43 H43A 108.4 . . ?
C42 C43 H43B 108.4 . . ?
C44 C43 H43B 108.4 . . ?
H43A C43 H43B 107.4 . . ?
C45 C44 C43 122.4(14) . . ?
C45 C44 H44A 106.7 . . ?
C43 C44 H44A 106.7 . . ?
C45 C44 H44B 106.7 . . ?
C43 C44 H44B 106.7 . . ?
H44A C44 H44B 106.6 . . ?
C46 C45 C44 122.3(17) . . ?
C46 C45 H45A 106.8 . . ?
C44 C45 H45A 106.8 . . ?
C46 C45 H45B 106.8 . . ?
C44 C45 H45B 106.8 . . ?
H45A C45 H45B 106.6 . . ?
C45 C46 C47 131.6(17) . . ?
C45 C46 H46A 104.4 . . ?
C47 C46 H46A 104.3 . . ?
C45 C46 H46B 104.4 . . ?
C47 C46 H46B 104.3 . . ?
H46A C46 H46B 105.6 . . ?
C46 C47 C48 121.1(11) . . ?
C46 C47 H47A 107.1 . . ?
C48 C47 H47A 107.1 . . ?
C46 C47 H47B 107.1 . . ?
C48 C47 H47B 107.1 . . ?
H47A C47 H47B 106.8 . . ?
C49 C48 C47 123.8(12) . . ?
C49 C48 H48A 106.4 . . ?
C47 C48 H48A 106.4 . . ?
C49 C48 H48B 106.4 . . ?
C47 C48 H48B 106.4 . . ?
H48A C48 H48B 106.5 . . ?
C48 C49 C50 125.9(12) . . ?
C48 C49 H49A 105.8 . . ?
C50 C49 H49A 105.8 . . ?
C48 C49 H49B 105.8 . . ?
C50 C49 H49B 105.8 . . ?
H49A C49 H49B 106.2 . . ?
C51 C50 C49 119.5(9) . . ?
C51 C50 H50A 107.4 . . ?
C49 C50 H50A 107.4 . . ?
C51 C50 H50B 107.4 . . ?
C49 C50 H50B 107.4 . . ?
H50A C50 H50B 107.0 . . ?
C52 C51 C50 113.9(10) . . ?
C52 C51 H51A 108.8 . . ?
C50 C51 H51A 108.8 . . ?
C52 C51 H51B 108.8 . . ?
C50 C51 H51B 108.8 . . ?
H51A C51 H51B 107.7 . . ?
C51 C52 C53 110.1(9) . . ?
C51 C52 H52A 109.6 . . ?
C53 C52 H52A 109.6 . . ?
C51 C52 H52B 109.6 . . ?
C53 C52 H52B 109.6 . . ?
H52A C52 H52B 108.2 . . ?
C54 C53 C52 112.9(10) . . ?
C54 C53 H53A 109.0 . . ?
C52 C53 H53A 109.0 . . ?
C54 C53 H53B 109.0 . . ?
C52 C53 H53B 109.0 . . ?
H53A C53 H53B 107.8 . . ?
C55 C54 C53 121.1(11) . . ?
C55 C54 H54A 107.1 . . ?
C53 C54 H54A 107.1 . . ?
C55 C54 H54B 107.1 . . ?
C53 C54 H54B 107.1 . . ?
H54A C54 H54B 106.8 . . ?
C54 C55 C56 112.8(9) . . ?
C54 C55 H55A 109.0 . . ?
C56 C55 H55A 109.0 . . ?
C54 C55 H55B 109.0 . . ?
C56 C55 H55B 109.0 . . ?
H55A C55 H55B 107.8 . . ?
C55 C56 C57 113.0(8) . . ?
C55 C56 H56A 109.0 . . ?
C57 C56 H56A 109.0 . . ?
C55 C56 H56B 109.0 . . ?
C57 C56 H56B 109.0 . . ?
H56A C56 H56B 107.8 . . ?
C58 C57 C56 114.4(8) . . ?
C58 C57 H57A 108.7 . . ?
C56 C57 H57A 108.7 . . ?
C58 C57 H57B 108.7 . . ?
C56 C57 H57B 108.7 . . ?
H57A C57 H57B 107.6 . . ?
C59 C58 C57 115.6(8) . . ?
C59 C58 H58A 108.4 . . ?
C57 C58 H58A 108.4 . . ?
C59 C58 H58B 108.4 . . ?
C57 C58 H58B 108.4 . . ?
H58A C58 H58B 107.4 . . ?
C58 C59 Si2 117.0(6) . . ?
C58 C59 H59A 108.0 . . ?
Si2 C59 H59A 108.0 . . ?
C58 C59 H59B 108.0 . . ?
Si2 C59 H59B 108.0 . . ?
H59A C59 H59B 107.3 . . ?
C61 C60 Si1 115.1(4) . . ?
C61 C60 H60A 108.5 . . ?
Si1 C60 H60A 108.5 . . ?
C61 C60 H60B 108.5 . . ?
Si1 C60 H60B 108.5 . . ?
H60A C60 H60B 107.5 . . ?
C60 C61 C62 114.5(5) . . ?
C60 C61 H61A 108.6 . . ?
C62 C61 H61A 108.6 . . ?
C60 C61 H61B 108.6 . . ?
C62 C61 H61B 108.6 . . ?
H61A C61 H61B 107.6 . . ?
C63 C62 C61 113.4(5) . . ?
C63 C62 H62A 108.9 . . ?
C61 C62 H62A 108.9 . . ?
C63 C62 H62B 108.9 . . ?
C61 C62 H62B 108.9 . . ?
H62A C62 H62B 107.7 . . ?
C62 C63 C64 115.5(6) . . ?
C62 C63 H63A 108.4 . . ?
C64 C63 H63A 108.4 . . ?
C62 C63 H63B 108.4 . . ?
C64 C63 H63B 108.4 . . ?
H63A C63 H63B 107.5 . . ?
C65 C64 C63 113.4(6) . . ?
C65 C64 H64A 108.9 . . ?
C63 C64 H64A 108.9 . . ?
C65 C64 H64B 108.9 . . ?
C63 C64 H64B 108.9 . . ?
H64A C64 H64B 107.7 . . ?
C64 C65 C66 110.4(7) . . ?
C64 C65 H65A 109.6 . . ?
C66 C65 H65A 109.6 . . ?
C64 C65 H65B 109.6 . . ?
C66 C65 H65B 109.6 . . ?
H65A C65 H65B 108.1 . . ?
C67 C66 C65 114.3(8) . . ?
C67 C66 H66A 108.7 . . ?
C65 C66 H66A 108.7 . . ?
C67 C66 H66B 108.7 . . ?
C65 C66 H66B 108.7 . . ?
H66A C66 H66B 107.6 . . ?
C66 C67 C68 113.5(8) . . ?
C66 C67 H67A 108.9 . . ?
C68 C67 H67A 108.9 . . ?
C66 C67 H67B 108.9 . . ?
C68 C67 H67B 108.9 . . ?
H67A C67 H67B 107.7 . . ?
C69 C68 C67 116.7(8) . . ?
C69 C68 H68A 108.1 . . ?
C67 C68 H68A 108.1 . . ?
C69 C68 H68B 108.1 . . ?
C67 C68 H68B 108.1 . . ?
H68A C68 H68B 107.3 . . ?
C70 C69 C68 112.9(8) . . ?
C70 C69 H69A 109.0 . . ?
C68 C69 H69A 109.0 . . ?
C70 C69 H69B 109.0 . . ?
C68 C69 H69B 109.0 . . ?
H69A C69 H69B 107.8 . . ?
C71 C70 C69 112.4(9) . . ?
C71 C70 H70A 109.1 . . ?
C69 C70 H70A 109.1 . . ?
C71 C70 H70B 109.1 . . ?
C69 C70 H70B 109.1 . . ?
H70A C70 H70B 107.9 . . ?
C70 C71 C72 109.0(11) . . ?
C70 C71 H71A 109.9 . . ?
C72 C71 H71A 109.9 . . ?
C70 C71 H71B 109.9 . . ?
C72 C71 H71B 109.9 . . ?
H71A C71 H71B 108.3 . . ?
C73 C72 C71 116.3(13) . . ?
C73 C72 H72A 108.2 . . ?
C71 C72 H72A 108.2 . . ?
C73 C72 H72B 108.2 . . ?
C71 C72 H72B 108.2 . . ?
H72A C72 H72B 107.4 . . ?
C72 C73 C74 116.5(13) . . ?
C72 C73 H73A 108.2 . . ?
C74 C73 H73A 108.2 . . ?
C72 C73 H73B 108.2 . . ?
C74 C73 H73B 108.2 . . ?
H73A C73 H73B 107.3 . . ?
C75 C74 C73 110.9(11) . . ?
C75 C74 H74A 109.5 . . ?
C73 C74 H74A 109.5 . . ?
C75 C74 H74B 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 108.0 . . ?
C74 C75 C76 109.0(9) . . ?
C74 C75 H75A 109.9 . . ?
C76 C75 H75A 109.9 . . ?
C74 C75 H75B 109.9 . . ?
C76 C75 H75B 109.9 . . ?
H75A C75 H75B 108.3 . . ?
C75 C76 C77 112.5(8) . . ?
C75 C76 H76A 109.1 . . ?
C77 C76 H76A 109.1 . . ?
C75 C76 H76B 109.1 . . ?
C77 C76 H76B 109.1 . . ?
H76A C76 H76B 107.8 . . ?
C78 C77 C76 114.8(6) . . ?
C78 C77 H77A 108.6 . . ?
C76 C77 H77A 108.6 . . ?
C78 C77 H77B 108.6 . . ?
C76 C77 H77B 108.6 . . ?
H77A C77 H77B 107.5 . . ?
C79 C78 C77 114.4(7) . . ?
C79 C78 H78A 108.7 . . ?
C77 C78 H78A 108.7 . . ?
C79 C78 H78B 108.7 . . ?
C77 C78 H78B 108.7 . . ?
H78A C78 H78B 107.6 . . ?
C78 C79 C80 122.2(7) . . ?
C78 C79 H79A 106.8 . . ?
C80 C79 H79A 106.8 . . ?
C78 C79 H79B 106.8 . . ?
C80 C79 H79B 106.8 . . ?
H79A C79 H79B 106.6 . . ?
C81 C80 C79 119.7(6) . . ?
C81 C80 H80A 107.4 . . ?
C79 C80 H80A 107.4 . . ?
C81 C80 H80B 107.4 . . ?
C79 C80 H80B 107.4 . . ?
H80A C80 H80B 106.9 . . ?
C80 C81 Si2 115.4(5) . . ?
C80 C81 H81A 108.4 . . ?
Si2 C81 H81A 108.4 . . ?
C80 C81 H81B 108.4 . . ?
Si2 C81 H81B 108.4 . . ?
H81A C81 H81B 107.5 . . ?
C92 C91 H91A 109.5 . . ?
C92 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C92 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
O1 C92 C91 109.5(7) . . ?
O1 C92 H92A 109.8 . . ?
C91 C92 H92A 109.8 . . ?
O1 C92 H92B 109.8 . . ?
C91 C92 H92B 109.8 . . ?
H92A C92 H92B 108.2 . . ?
C92 O1 H1 109.5 . . ?
C94 C93 H93A 109.5 . . ?
C94 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C94 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
O2 C94 C93 115.0(9) . . ?
O2 C94 H94A 108.5 . . ?
C93 C94 H94A 108.5 . . ?
O2 C94 H94B 108.5 . . ?
C93 C94 H94B 108.5 . . ?
H94A C94 H94B 107.5 . . ?
C94 O2 H2A 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C60 1.872(6) . ?
Si1 C16 1.872(5) . ?
Si1 C1 1.876(5) . ?
Si1 C38 1.879(5) . ?
Si2 C59 1.845(7) . ?
Si2 C37 1.859(7) . ?
Si2 C7 1.894(5) . ?
Si2 C81 1.914(7) . ?
C1 C2 1.396(6) . ?
C1 C6 1.420(7) . ?
C2 C3 1.381(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.388(6) . ?
C3 C13 1.526(6) . ?
C4 C5 1.377(6) . ?
C4 C10 1.470(6) . ?
C5 C6 1.392(7) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.399(7) . ?
C7 C8 1.407(7) . ?
C8 C9 1.376(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.399(6) . ?
C9 C13 1.527(7) . ?
C10 C11 1.385(6) . ?
C11 C12 1.387(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C15 1.541(7) . ?
C13 C14 1.549(7) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.538(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.515(8) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.503(8) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.545(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.499(9) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.500(8) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.523(9) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.518(10) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.450(10) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.519(10) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.447(10) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.484(10) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.522(11) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.432(12) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.576(12) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.479(11) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.445(14) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.550(12) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.415(11) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.544(11) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.508(10) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.525(10) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.526(9) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.360(12) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.499(18) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.414(16) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.477(19) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.424(16) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.392(14) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.408(15) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.487(14) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.370(13) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.517(15) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.519(16) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.431(13) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.652(17) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.554(14) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.403(12) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.532(12) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.532(13) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C58 1.466(11) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.461(8) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 C61 1.528(7) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.538(8) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.487(8) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.537(9) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.513(11) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.587(12) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.406(12) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.526(13) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 C69 1.506(12) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C70 1.472(13) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C71 1.429(14) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.552(17) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 C73 1.464(13) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.481(17) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.450(12) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.499(13) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 C77 1.590(12) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.519(9) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C79 1.409(10) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C80 1.523(9) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 C81 1.411(9) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C91 C92 1.450(10) . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 O1 1.424(8) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
O1 H1 0.8400 . ?
C93 C94 1.446(14) . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 O2 1.429(11) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
O2 H2A 0.8400 . ?
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
C60 Si1 C1 C2 -81.6(4) . . . . ?
C16 Si1 C1 C2 158.0(4) . . . . ?
C38 Si1 C1 C2 38.2(5) . . . . ?
C60 Si1 C1 C6 98.6(4) . . . . ?
C16 Si1 C1 C6 -21.8(5) . . . . ?
C38 Si1 C1 C6 -141.6(4) . . . . ?
C6 C1 C2 C3 1.4(7) . . . . ?
Si1 C1 C2 C3 -178.4(3) . . . . ?
C1 C2 C3 C4 -0.7(7) . . . . ?
C1 C2 C3 C13 178.7(4) . . . . ?
C2 C3 C4 C5 -0.9(7) . . . . ?
C13 C3 C4 C5 179.5(4) . . . . ?
C2 C3 C4 C10 176.1(4) . . . . ?
C13 C3 C4 C10 -3.5(5) . . . . ?
C3 C4 C5 C6 1.8(7) . . . . ?
C10 C4 C5 C6 -174.5(5) . . . . ?
C4 C5 C6 C1 -1.0(8) . . . . ?
C2 C1 C6 C5 -0.6(7) . . . . ?
Si1 C1 C6 C5 179.3(4) . . . . ?
C59 Si2 C7 C12 169.2(4) . . . . ?
C37 Si2 C7 C12 50.7(5) . . . . ?
C81 Si2 C7 C12 -61.6(5) . . . . ?
C59 Si2 C7 C8 -6.9(5) . . . . ?
C37 Si2 C7 C8 -125.5(4) . . . . ?
C81 Si2 C7 C8 122.3(4) . . . . ?
C12 C7 C8 C9 -0.1(6) . . . . ?
Si2 C7 C8 C9 176.1(3) . . . . ?
C7 C8 C9 C10 -1.3(6) . . . . ?
C7 C8 C9 C13 -179.7(4) . . . . ?
C8 C9 C10 C11 2.2(6) . . . . ?
C13 C9 C10 C11 -179.1(4) . . . . ?
C8 C9 C10 C4 -175.5(4) . . . . ?
C13 C9 C10 C4 3.2(5) . . . . ?
C5 C4 C10 C11 -0.6(8) . . . . ?
C3 C4 C10 C11 -177.2(5) . . . . ?
C5 C4 C10 C9 176.7(5) . . . . ?
C3 C4 C10 C9 0.1(5) . . . . ?
C9 C10 C11 C12 -1.7(7) . . . . ?
C4 C10 C11 C12 175.4(4) . . . . ?
C10 C11 C12 C7 0.2(7) . . . . ?
C8 C7 C12 C11 0.6(7) . . . . ?
Si2 C7 C12 C11 -175.8(4) . . . . ?
C2 C3 C13 C9 -174.4(4) . . . . ?
C4 C3 C13 C9 5.1(5) . . . . ?
C2 C3 C13 C15 -53.9(6) . . . . ?
C4 C3 C13 C15 125.5(4) . . . . ?
C2 C3 C13 C14 68.5(6) . . . . ?
C4 C3 C13 C14 -112.0(5) . . . . ?
C8 C9 C13 C3 173.6(4) . . . . ?
C10 C9 C13 C3 -4.9(5) . . . . ?
C8 C9 C13 C15 53.4(6) . . . . ?
C10 C9 C13 C15 -125.1(4) . . . . ?
C8 C9 C13 C14 -69.3(6) . . . . ?
C10 C9 C13 C14 112.2(4) . . . . ?
C60 Si1 C16 C17 67.8(4) . . . . ?
C1 Si1 C16 C17 -172.6(4) . . . . ?
C38 Si1 C16 C17 -53.0(5) . . . . ?
Si1 C16 C17 C18 -174.6(4) . . . . ?
C16 C17 C18 C19 -61.8(7) . . . . ?
C17 C18 C19 C20 -175.0(5) . . . . ?
C18 C19 C20 C21 179.4(5) . . . . ?
C19 C20 C21 C22 67.6(8) . . . . ?
C20 C21 C22 C23 170.2(6) . . . . ?
C21 C22 C23 C24 176.8(6) . . . . ?
C22 C23 C24 C25 -71.3(8) . . . . ?
C23 C24 C25 C26 -176.9(6) . . . . ?
C24 C25 C26 C27 178.5(6) . . . . ?
C25 C26 C27 C28 -177.1(6) . . . . ?
C26 C27 C28 C29 -177.3(7) . . . . ?
C27 C28 C29 C30 -178.5(7) . . . . ?
C28 C29 C30 C31 177.9(7) . . . . ?
C29 C30 C31 C32 60.2(13) . . . . ?
C30 C31 C32 C33 176.6(10) . . . . ?
C31 C32 C33 C34 -167.0(9) . . . . ?
C32 C33 C34 C35 179.8(11) . . . . ?
C33 C34 C35 C36 163.8(9) . . . . ?
C34 C35 C36 C37 77.5(12) . . . . ?
C35 C36 C37 Si2 -166.0(7) . . . . ?
C59 Si2 C37 C36 -49.7(7) . . . . ?
C7 Si2 C37 C36 69.8(6) . . . . ?
C81 Si2 C37 C36 -173.1(6) . . . . ?
C60 Si1 C38 C39 -170.2(4) . . . . ?
C16 Si1 C38 C39 -49.0(5) . . . . ?
C1 Si1 C38 C39 70.5(5) . . . . ?
Si1 C38 C39 C40 176.5(5) . . . . ?
C38 C39 C40 C41 66.6(12) . . . . ?
C39 C40 C41 C42 53.0(16) . . . . ?
C40 C41 C42 C43 62.3(16) . . . . ?
C41 C42 C43 C44 164.3(14) . . . . ?
C42 C43 C44 C45 -58(3) . . . . ?
C43 C44 C45 C46 -91(2) . . . . ?
C44 C45 C46 C47 178.4(13) . . . . ?
C45 C46 C47 C48 65.1(18) . . . . ?
C46 C47 C48 C49 -173.9(11) . . . . ?
C47 C48 C49 C50 179.3(10) . . . . ?
C48 C49 C50 C51 -59.3(17) . . . . ?
C49 C50 C51 C52 174.2(11) . . . . ?
C50 C51 C52 C53 178.3(10) . . . . ?
C51 C52 C53 C54 73.4(12) . . . . ?
C52 C53 C54 C55 178.1(9) . . . . ?
C53 C54 C55 C56 174.9(8) . . . . ?
C54 C55 C56 C57 -177.2(8) . . . . ?
C55 C56 C57 C58 175.6(7) . . . . ?
C56 C57 C58 C59 -69.0(10) . . . . ?
C57 C58 C59 Si2 -179.3(7) . . . . ?
C37 Si2 C59 C58 -57.3(7) . . . . ?
C7 Si2 C59 C58 -176.8(6) . . . . ?
C81 Si2 C59 C58 57.3(7) . . . . ?
C16 Si1 C60 C61 57.2(5) . . . . ?
C1 Si1 C60 C61 -62.6(5) . . . . ?
C38 Si1 C60 C61 177.9(4) . . . . ?
Si1 C60 C61 C62 174.9(4) . . . . ?
C60 C61 C62 C63 178.7(5) . . . . ?
C61 C62 C63 C64 -179.0(6) . . . . ?
C62 C63 C64 C65 -65.6(9) . . . . ?
C63 C64 C65 C66 -72.0(8) . . . . ?
C64 C65 C66 C67 170.8(7) . . . . ?
C65 C66 C67 C68 -175.9(6) . . . . ?
C66 C67 C68 C69 177.5(7) . . . . ?
C67 C68 C69 C70 -173.7(7) . . . . ?
C68 C69 C70 C71 175.6(8) . . . . ?
C69 C70 C71 C72 -174.7(8) . . . . ?
C70 C71 C72 C73 178.7(10) . . . . ?
C71 C72 C73 C74 -174.5(10) . . . . ?
C72 C73 C74 C75 64.1(14) . . . . ?
C73 C74 C75 C76 157.3(10) . . . . ?
C74 C75 C76 C77 171.5(8) . . . . ?
C75 C76 C77 C78 61.9(10) . . . . ?
C76 C77 C78 C79 -170.7(7) . . . . ?
C77 C78 C79 C80 170.1(7) . . . . ?
C78 C79 C80 C81 179.3(7) . . . . ?
C79 C80 C81 Si2 173.9(5) . . . . ?
