# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_m21394
_database_code_depnum_ccdc_archive 'CCDC 2325313'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2017). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2024-01-13 deposited with the CCDC.	2024-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3

_shelx_SHELXL_version_number     2018/3

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C116 H150 Si4'
_chemical_formula_sum            'C116 H150 Si4'
_chemical_formula_weight         1656.71

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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. 
;

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

_cell_length_a                   23.3934(16)
_cell_length_b                   14.3686(11)
_cell_length_c                   14.9700(11)
_cell_angle_alpha                90
_cell_angle_beta                 90.756(3)
_cell_angle_gamma                90
_cell_volume                     5031.4(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9094
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      27.49

_exptl_crystal_description       plate
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.094
_exptl_crystal_F_000             1804
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.106
_shelx_estimated_absorpt_T_min   0.967
_shelx_estimated_absorpt_T_max   0.996
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.804
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            74486
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.965
_diffrn_reflns_theta_max         27.574
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999

_reflns_number_total             11576
_reflns_number_gt                9020
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
; 
Reflections were merged by SHELXL according to the crystal 
class for the calculation of statistics and refinement. 
 
_reflns_Friedel_fraction is defined as the number of unique 
Friedel pairs measured divided by the number that would be 
possible theoretically, ignoring centric projections and 
systematic absences. 
;

_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
; 
Refinement progress was checked using Platon (Spek, 2009) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0418P)²+14.3426P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11576
_refine_ls_number_parameters     613
_refine_ls_number_restraints     228
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0895
_refine_ls_wR_factor_ref         0.2061
_refine_ls_wR_factor_gt          0.1944
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.001

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 0.24212(4) 0.82541(6) 0.65023(5) 0.0253(2) Uani 1 1 d D . . . .
Si2 Si 0.20626(4) 0.14256(6) 0.22371(6) 0.0279(2) Uani 1 1 d D . . . .
C1 C 0.21339(12) 0.5732(2) 0.48122(18) 0.0205(6) Uani 1 1 d . . . . .
C2 C 0.15965(12) 0.5422(2) 0.44997(18) 0.0227(6) Uani 1 1 d . . . . .
C3 C 0.10801(13) 0.5880(2) 0.4740(2) 0.0280(7) Uani 1 1 d . . . . .
H3 H 0.109798 0.641358 0.511327 0.034 Uiso 1 1 calc R U . . .
C4 C 0.05667(14) 0.5570(3) 0.4447(2) 0.0339(8) Uani 1 1 d . . . . .
H4 H 0.022825 0.588904 0.461077 0.041 Uiso 1 1 calc R U . . .
C5 C 0.05301(14) 0.4764(3) 0.3891(2) 0.0359(8) Uani 1 1 d . . . . .
H5 H 0.016656 0.454265 0.369624 0.043 Uiso 1 1 calc R U . . .
C6 C 0.10092(13) 0.4313(3) 0.3639(2) 0.0301(7) Uani 1 1 d . . . . .
H6 H 0.097742 0.378472 0.325955 0.036 Uiso 1 1 calc R U . . .
C7 C 0.15619(13) 0.4615(2) 0.39333(18) 0.0224(6) Uani 1 1 d . . . . .
C8 C 0.20617(13) 0.4145(2) 0.36833(18) 0.0229(6) Uani 1 1 d . . . . .
C9 C 0.26107(12) 0.4470(2) 0.39818(18) 0.0210(6) Uani 1 1 d . . . . .
C10 C 0.31193(12) 0.4029(2) 0.37282(18) 0.0205(6) Uani 1 1 d . . . . .
H10 H 0.309948 0.352135 0.332261 0.025 Uiso 1 1 calc R U . . .
C11 C 0.36542(12) 0.4315(2) 0.40546(18) 0.0203(6) Uani 1 1 d . . . . .
C12 C 0.41728(13) 0.3877(2) 0.37701(18) 0.0206(6) Uani 1 1 d . . . . .
C13 C 0.46972(12) 0.41641(19) 0.41238(18) 0.0194(6) Uani 1 1 d . . . . .
C14 C 0.47278(12) 0.4875(2) 0.48098(17) 0.0192(6) Uani 1 1 d . . . . .
C15 C 0.42246(12) 0.5310(2) 0.50989(18) 0.0203(6) Uani 1 1 d . . . . .
C16 C 0.36836(12) 0.5065(2) 0.46961(18) 0.0204(6) Uani 1 1 d . . . . .
C17 C 0.31790(12) 0.55272(19) 0.49090(18) 0.0200(6) Uani 1 1 d . . . . .
H17 H 0.319915 0.604557 0.530204 0.024 Uiso 1 1 calc R U . . .
C18 C 0.26437(12) 0.5258(2) 0.45665(18) 0.0205(6) Uani 1 1 d . . . . .
C19 C 0.42660(13) 0.5973(2) 0.58126(19) 0.0220(6) Uani 1 1 d . . . . .
H19 H 0.392622 0.624737 0.603259 0.026 Uiso 1 1 calc R U . . .
C20 C 0.47737(13) 0.6219(2) 0.61813(18) 0.0226(6) Uani 1 1 d . . . . .
H20 H 0.478072 0.665733 0.665615 0.027 Uiso 1 1 calc R U . . .
C21 C 0.41516(12) 0.3122(2) 0.30830(19) 0.0229(6) Uani 1 1 d . . . . .
C22 C 0.40085(14) 0.3324(2) 0.2193(2) 0.0293(7) Uani 1 1 d . . . . .
H22 H 0.390873 0.394108 0.202617 0.035 Uiso 1 1 calc R U . . .
C23 C 0.40118(15) 0.2624(3) 0.1551(2) 0.0364(8) Uani 1 1 d . . . . .
H23 H 0.391435 0.276656 0.094879 0.044 Uiso 1 1 calc R U . . .
C24 C 0.41546(15) 0.1730(3) 0.1782(2) 0.0391(9) Uani 1 1 d . . . . .
H24 H 0.415735 0.125620 0.133966 0.047 Uiso 1 1 calc R U . . .
C25 C 0.42950(15) 0.1518(2) 0.2660(3) 0.0366(8) Uani 1 1 d . . . . .
H25 H 0.439371 0.089868 0.282065 0.044 Uiso 1 1 calc R U . . .
C26 C 0.42914(14) 0.2213(2) 0.3308(2) 0.0303(7) Uani 1 1 d . . . . .
H26 H 0.438566 0.206292 0.390981 0.036 Uiso 1 1 calc R U . . .
C27 C 0.21759(12) 0.6532(2) 0.53794(18) 0.0219(6) Uani 1 1 d . . . . .
C28 C 0.22332(13) 0.7212(2) 0.58443(19) 0.0246(6) Uani 1 1 d . . . . .
C29 C 0.23247(17) 0.9295(2) 0.5753(2) 0.0368(8) Uani 1 1 d . . . . .
H29 H 0.264904 0.928526 0.532418 0.044 Uiso 1 1 calc R U . . .
C30 C 0.1775(2) 0.9280(3) 0.5188(3) 0.0527(11) Uani 1 1 d . . . . .
H30A H 0.176603 0.982456 0.479370 0.079 Uiso 1 1 calc R U . . .
H30B H 0.144385 0.929606 0.558208 0.079 Uiso 1 1 calc R U . . .
H30C H 0.176325 0.871137 0.482788 0.079 Uiso 1 1 calc R U . . .
C31 C 0.2370(2) 1.0217(3) 0.6265(3) 0.0567(12) Uani 1 1 d . . . . .
H31A H 0.235928 1.073641 0.584089 0.085 Uiso 1 1 calc R U . . .
H31B H 0.273105 1.023255 0.660453 0.085 Uiso 1 1 calc R U . . .
H31C H 0.204948 1.027020 0.667608 0.085 Uiso 1 1 calc R U . . .
C32 C 0.19672(14) 0.8297(2) 0.7526(2) 0.0309(7) Uani 1 1 d . . . . .
H32 H 0.207688 0.887258 0.786299 0.037 Uiso 1 1 calc R U . . .
C33 C 0.13277(16) 0.8368(3) 0.7311(3) 0.0501(11) Uani 1 1 d . . . . .
H33A H 0.125056 0.894909 0.698914 0.075 Uiso 1 1 calc R U . . .
H33B H 0.111220 0.836158 0.786838 0.075 Uiso 1 1 calc R U . . .
H33C H 0.121057 0.783840 0.693926 0.075 Uiso 1 1 calc R U . . .
C34 C 0.20875(18) 0.7473(3) 0.8140(2) 0.0439(9) Uani 1 1 d . . . . .
H34A H 0.200831 0.689195 0.781792 0.066 Uiso 1 1 calc R U . . .
H34B H 0.184205 0.751132 0.866414 0.066 Uiso 1 1 calc R U . . .
H34C H 0.248940 0.748401 0.833260 0.066 Uiso 1 1 calc R U . . .
C35 C 0.31870(13) 0.8051(2) 0.6828(2) 0.0298(7) Uani 1 1 d D . . . .
H35A H 0.321681 0.741901 0.708863 0.036 Uiso 1 1 calc R U . . .
H35B H 0.341576 0.805340 0.627667 0.036 Uiso 1 1 calc R U . . .
C36 C 0.34646(14) 0.8737(2) 0.7491(2) 0.0327(7) Uani 1 1 d . . . . .
H36A H 0.352764 0.933692 0.718206 0.039 Uiso 1 1 calc R U . . .
H36B H 0.319613 0.885170 0.798446 0.039 Uiso 1 1 calc R U . . .
C37 C 0.40317(15) 0.8401(3) 0.7884(2) 0.0352(8) Uani 1 1 d . . . . .
H37A H 0.422798 0.893033 0.818049 0.042 Uiso 1 1 calc R U . . .
H37B H 0.427780 0.818165 0.739419 0.042 Uiso 1 1 calc R U . . .
C38 C 0.39581(15) 0.7610(2) 0.8564(2) 0.0358(8) Uani 1 1 d . . . . .
H38A H 0.370227 0.782586 0.904352 0.043 Uiso 1 1 calc R U . . .
H38B H 0.376971 0.707710 0.826214 0.043 Uiso 1 1 calc R U . . .
C39 C 0.45127(15) 0.7281(3) 0.8982(2) 0.0383(8) Uani 1 1 d . . . . .
H39A H 0.472474 0.782880 0.921331 0.046 Uiso 1 1 calc R U . . .
H39B H 0.474766 0.699087 0.851289 0.046 Uiso 1 1 calc R U . . .
C40 C 0.44404(16) 0.6585(3) 0.9741(2) 0.0390(8) Uani 1 1 d . . . . .
H40A H 0.482108 0.645675 1.001048 0.047 Uiso 1 1 calc R U . . .
H40B H 0.420324 0.687605 1.020786 0.047 Uiso 1 1 calc R U . . .
C41 C 0.4171(2) 0.5674(3) 0.9473(3) 0.0497(10) Uani 1 1 d . . . . .
H41A H 0.440421 0.538409 0.900223 0.060 Uiso 1 1 calc R U . . .
H41B H 0.378652 0.579870 0.921417 0.060 Uiso 1 1 calc R U . . .
C42 C 0.41119(19) 0.4991(3) 1.0240(3) 0.0494(10) Uani 1 1 d . . . . .
H42A H 0.394844 0.440702 1.001567 0.074 Uiso 1 1 calc R U . . .
H42B H 0.386015 0.525545 1.069254 0.074 Uiso 1 1 calc R U . . .
H42C H 0.448940 0.487025 1.050709 0.074 Uiso 1 1 calc R U . . .
C43 C 0.20293(12) 0.3310(2) 0.31694(19) 0.0245(6) Uani 1 1 d . . . . .
C44 C 0.20153(13) 0.2580(2) 0.2775(2) 0.0279(7) Uani 1 1 d . . . . .
C45 C 0.27567(14) 0.0927(2) 0.2655(2) 0.0299(7) Uani 1 1 d . . . . .
H45 H 0.306171 0.137801 0.248335 0.036 Uiso 1 1 calc R U . . .
C46 C 0.2785(2) 0.0844(4) 0.3673(2) 0.0571(12) Uani 1 1 d . . . . .
H46A H 0.252020 0.035937 0.386842 0.086 Uiso 1 1 calc R U . . .
H46B H 0.267913 0.144020 0.394184 0.086 Uiso 1 1 calc R U . . .
H46C H 0.317537 0.067940 0.386080 0.086 Uiso 1 1 calc R U . . .
C47 C 0.29091(18) 0.0004(3) 0.2223(3) 0.0458(10) Uani 1 1 d . . . . .
H47A H 0.290077 0.007277 0.157198 0.069 Uiso 1 1 calc R U . . .
H47B H 0.263183 -0.047087 0.239947 0.069 Uiso 1 1 calc R U . . .
H47C H 0.329307 -0.018510 0.242019 0.069 Uiso 1 1 calc R U . . .
C48 C 0.20683(17) 0.1633(3) 0.0999(2) 0.0387(9) Uani 1 1 d . . . . .
H48 H 0.206018 0.101006 0.070037 0.046 Uiso 1 1 calc R U . . .
C49 C 0.2616(2) 0.2124(3) 0.0712(2) 0.0469(10) Uani 1 1 d . . . . .
H49A H 0.258810 0.228209 0.007663 0.070 Uiso 1 1 calc R U . . .
H49B H 0.294383 0.171036 0.081385 0.070 Uiso 1 1 calc R U . . .
H49C H 0.266784 0.269413 0.106361 0.070 Uiso 1 1 calc R U . . .
C50 C 0.1536(2) 0.2168(3) 0.0680(3) 0.0586(12) Uani 1 1 d . . . . .
H50A H 0.153755 0.221787 0.002670 0.088 Uiso 1 1 calc R U . . .
H50B H 0.153851 0.279265 0.094240 0.088 Uiso 1 1 calc R U . . .
H50C H 0.119176 0.183526 0.086575 0.088 Uiso 1 1 calc R U . . .
C51 C 0.1459(3) 0.0595(5) 0.2425(6) 0.0392(18) Uani 0.516(4) 1 d D U P A 1
H51A H 0.144296 0.015188 0.191915 0.047 Uiso 0.516(4) 1 calc R U P A 1
H51B H 0.154392 0.023284 0.297314 0.047 Uiso 0.516(4) 1 calc R U P A 1
C52 C 0.0869(3) 0.1044(6) 0.2519(5) 0.0439(15) Uani 0.516(4) 1 d D U P A 1
H52A H 0.083951 0.157118 0.209518 0.053 Uiso 0.516(4) 1 calc R U P A 1
H52B H 0.057439 0.058187 0.234564 0.053 Uiso 0.516(4) 1 calc R U P A 1
C53 C 0.0741(3) 0.1396(6) 0.3445(5) 0.0435(16) Uani 0.516(4) 1 d D U P A 1
H53A H 0.103974 0.185089 0.362052 0.052 Uiso 0.516(4) 1 calc R U P A 1
H53B H 0.076691 0.086643 0.386652 0.052 Uiso 0.516(4) 1 calc R U P A 1
C54 C 0.0158(3) 0.1855(6) 0.3544(5) 0.0504(18) Uani 0.516(4) 1 d D U P A 1
H54A H -0.015548 0.143123 0.335933 0.061 Uiso 0.516(4) 1 calc R U P A 1
H54B H 0.013081 0.243933 0.319595 0.061 Uiso 0.516(4) 1 calc R U P A 1
C55 C 0.0153(5) 0.2061(8) 0.4655(7) 0.075(2) Uani 0.516(4) 1 d D U P A 1
H55A H 0.055873 0.209616 0.485008 0.091 Uiso 0.516(4) 1 calc R U P A 1
H55B H -0.000720 0.269312 0.473019 0.091 Uiso 0.516(4) 1 calc R U P A 1
C56 C -0.0166(7) 0.1401(11) 0.5375(9) 0.094(2) Uani 0.516(4) 1 d D U P A 1
H56A H -0.054205 0.119368 0.513718 0.113 Uiso 0.516(4) 1 calc R U P A 1
H56B H 0.006866 0.084503 0.551370 0.113 Uiso 0.516(4) 1 calc R U P A 1
C57 C -0.0225(5) 0.1863(8) 0.6024(6) 0.075(3) Uani 0.516(4) 1 d D U P A 1
H57A H -0.057172 0.225519 0.596169 0.090 Uiso 0.516(4) 1 calc R U P A 1
H57B H 0.010939 0.227641 0.611290 0.090 Uiso 0.516(4) 1 calc R U P A 1
C58 C -0.0280(6) 0.1237(9) 0.6780(7) 0.089(3) Uani 0.516(4) 1 d D U P A 1
H58A H -0.035300 0.060415 0.656288 0.133 Uiso 0.516(4) 1 calc R U P A 1
H58B H -0.059944 0.143952 0.715078 0.133 Uiso 0.516(4) 1 calc R U P A 1
H58C H 0.007400 0.124540 0.713634 0.133 Uiso 0.516(4) 1 calc R U P A 1
C51' C 0.1413(3) 0.0842(6) 0.2707(6) 0.0352(18) Uani 0.484(4) 1 d D U P A 2
H51C H 0.148358 0.070868 0.334821 0.042 Uiso 0.484(4) 1 calc R U P A 2
H51D H 0.108530 0.127715 0.266524 0.042 Uiso 0.484(4) 1 calc R U P A 2
C52' C 0.1249(3) -0.0073(5) 0.2229(5) 0.0412(16) Uani 0.484(4) 1 d D U P A 2
H52C H 0.119125 0.006090 0.158588 0.049 Uiso 0.484(4) 1 calc R U P A 2
H52D H 0.157506 -0.050981 0.228469 0.049 Uiso 0.484(4) 1 calc R U P A 2
C53' C 0.0729(4) -0.0545(6) 0.2565(6) 0.059(2) Uani 0.484(4) 1 d D U P A 2
H53C H 0.039589 -0.014583 0.241716 0.070 Uiso 0.484(4) 1 calc R U P A 2
H53D H 0.067988 -0.113220 0.222621 0.070 Uiso 0.484(4) 1 calc R U P A 2
C54' C 0.0703(5) -0.0774(9) 0.3527(7) 0.082(3) Uani 0.484(4) 1 d D U P A 2
H54C H 0.083075 -0.024088 0.389804 0.099 Uiso 0.484(4) 1 calc R U P A 2
H54D H 0.094279 -0.132194 0.367150 0.099 Uiso 0.484(4) 1 calc R U P A 2
C55' C -0.0003(5) -0.1008(11) 0.3690(8) 0.098(3) Uani 0.484(4) 1 d D U P A 2
H55C H -0.022230 -0.045220 0.349760 0.118 Uiso 0.484(4) 1 calc R U P A 2
H55D H -0.011136 -0.151921 0.327742 0.118 Uiso 0.484(4) 1 calc R U P A 2
C56' C -0.0231(6) -0.1298(12) 0.4688(9) 0.107(3) Uani 0.484(4) 1 d D U P A 2
H56C H -0.034938 -0.073827 0.502417 0.129 Uiso 0.484(4) 1 calc R U P A 2
H56D H -0.056078 -0.172760 0.463949 0.129 Uiso 0.484(4) 1 calc R U P A 2
C57' C 0.0145(7) -0.1653(12) 0.5037(8) 0.094(2) Uani 0.484(4) 1 d D U P A 2
H57C H 0.042932 -0.117673 0.521895 0.113 Uiso 0.484(4) 1 calc R U P A 2
H57D H 0.033146 -0.208134 0.461203 0.113 Uiso 0.484(4) 1 calc R U P A 2
C58' C -0.0030(6) -0.2179(9) 0.5827(8) 0.075(2) Uani 0.484(4) 1 d D U P A 2
H58D H -0.039158 -0.249991 0.569869 0.113 Uiso 0.484(4) 1 calc R U P A 2
H58E H -0.008051 -0.175121 0.632971 0.113 Uiso 0.484(4) 1 calc R U P A 2
H58F H 0.026504 -0.263834 0.598151 0.113 Uiso 0.484(4) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C28 1.843(3) . ?
Si1 C35 1.874(3) . ?
Si1 C32 1.877(3) . ?
Si1 C29 1.882(4) . ?
Si2 C44 1.847(3) . ?
Si2 C51 1.872(6) . ?
Si2 C45 1.875(3) . ?
Si2 C48 1.878(3) . ?
Si2 C51' 1.882(6) . ?
C1 C2 1.408(4) . ?
C1 C18 1.426(4) . ?
C1 C27 1.431(4) . ?
C2 C3 1.426(4) . ?
C2 C7 1.438(4) . ?
C3 C4 1.349(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.428(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.352(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.428(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.405(4) . ?
C8 C43 1.426(4) . ?
C8 C9 1.432(4) . ?
C9 C10 1.404(4) . ?
C9 C18 1.433(4) . ?
C10 C11 1.399(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.436(4) . ?
C11 C16 1.444(4) . ?
C12 C13 1.392(4) . ?
C12 C21 1.495(4) . ?
C13 C20 1.435(4) 3_666 ?
C13 C14 1.450(4) . ?
C14 C15 1.406(4) . ?
C14 C14 1.434(6) 3_666 ?
C15 C19 1.433(4) . ?
C15 C16 1.439(4) . ?
C16 C17 1.395(4) . ?
C17 C18 1.401(4) . ?
C17 H17 0.9500 . ?
C19 C20 1.350(4) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C26 1.387(4) . ?
C21 C22 1.400(4) . ?
C22 C23 1.390(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.370(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.385(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.391(5) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.206(4) . ?
C29 C30 1.529(6) . ?
C29 C31 1.533(5) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C34 1.523(5) . ?
C32 C33 1.529(5) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.536(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.523(5) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.537(5) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.509(5) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.525(5) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.506(5) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.518(6) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.205(4) . ?
C45 C47 1.520(5) . ?
C45 C46 1.529(5) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.529(6) . ?
C48 C50 1.535(5) . ?
C48 H48 1.0000 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.531(9) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.509(9) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.524(9) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.689(11) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.626(14) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.187(14) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C58 1.453(13) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C51' C52' 1.542(8) . ?
C51' H51C 0.9900 . ?
C51' H51D 0.9900 . ?
C52' C53' 1.487(9) . ?
C52' H52C 0.9900 . ?
C52' H52D 0.9900 . ?
C53' C54' 1.478(11) . ?
C53' H53C 0.9900 . ?
C53' H53D 0.9900 . ?
C54' C55' 1.707(12) . ?
C54' H54C 0.9900 . ?
C54' H54D 0.9900 . ?
C55' C56' 1.646(15) . ?
C55' H55C 0.9900 . ?
C55' H55D 0.9900 . ?
C56' C57' 1.138(14) . ?
C56' H56C 0.9900 . ?
C56' H56D 0.9900 . ?
C57' C58' 1.467(13) . ?
C57' H57C 0.9900 . ?
C57' H57D 0.9900 . ?
C58' H58D 0.9800 . ?
C58' H58E 0.9800 . ?
C58' H58F 0.9800 . ?

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
C28 Si1 C35 103.49(14) . . ?
C28 Si1 C32 109.25(15) . . ?
C35 Si1 C32 109.98(15) . . ?
C28 Si1 C29 107.55(15) . . ?
C35 Si1 C29 112.71(17) . . ?
C32 Si1 C29 113.32(16) . . ?
C44 Si2 C51 117.2(3) . . ?
C44 Si2 C45 104.74(15) . . ?
C51 Si2 C45 111.0(3) . . ?
C44 Si2 C48 106.80(15) . . ?
C51 Si2 C48 105.3(3) . . ?
C45 Si2 C48 111.88(16) . . ?
C44 Si2 C51' 100.6(3) . . ?
C45 Si2 C51' 113.9(3) . . ?
C48 Si2 C51' 117.2(3) . . ?
C2 C1 C18 120.6(3) . . ?
C2 C1 C27 120.4(3) . . ?
C18 C1 C27 119.0(3) . . ?
C1 C2 C3 121.7(3) . . ?
C1 C2 C7 119.6(3) . . ?
C3 C2 C7 118.6(3) . . ?
C4 C3 C2 121.3(3) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C3 C4 C5 120.2(3) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 120.5(3) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C7 121.2(3) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 H6 119.4 . . ?
C8 C7 C6 121.7(3) . . ?
C8 C7 C2 120.3(3) . . ?
C6 C7 C2 118.1(3) . . ?
C7 C8 C43 120.6(3) . . ?
C7 C8 C9 120.4(3) . . ?
C43 C8 C9 118.9(3) . . ?
C10 C9 C8 121.9(3) . . ?
C10 C9 C18 118.9(3) . . ?
C8 C9 C18 119.3(3) . . ?
C11 C10 C9 122.0(3) . . ?
C11 C10 H10 119.0 . . ?
C9 C10 H10 119.0 . . ?
C10 C11 C12 121.5(3) . . ?
C10 C11 C16 119.1(3) . . ?
C12 C11 C16 119.4(3) . . ?
C13 C12 C11 120.1(3) . . ?
C13 C12 C21 119.8(3) . . ?
C11 C12 C21 120.1(3) . . ?
C12 C13 C20 121.7(3) . 3_666 ?
C12 C13 C14 120.9(3) . . ?
C20 C13 C14 117.4(3) 3_666 . ?
C15 C14 C14 120.6(3) . 3_666 ?
C15 C14 C13 119.8(3) . . ?
C14 C14 C13 119.6(3) 3_666 . ?
C14 C15 C19 118.4(3) . . ?
C14 C15 C16 119.8(3) . . ?
C19 C15 C16 121.7(3) . . ?
C17 C16 C15 122.0(3) . . ?
C17 C16 C11 118.3(3) . . ?
C15 C16 C11 119.7(3) . . ?
C16 C17 C18 122.7(3) . . ?
C16 C17 H17 118.7 . . ?
C18 C17 H17 118.7 . . ?
C17 C18 C1 121.3(3) . . ?
C17 C18 C9 118.8(3) . . ?
C1 C18 C9 119.8(3) . . ?
C20 C19 C15 121.9(3) . . ?
C20 C19 H19 119.0 . . ?
C15 C19 H19 119.0 . . ?
C19 C20 C13 121.9(3) . 3_666 ?
C19 C20 H20 119.1 . . ?
C13 C20 H20 119.1 3_666 . ?
C26 C21 C22 118.5(3) . . ?
C26 C21 C12 120.7(3) . . ?
C22 C21 C12 120.7(3) . . ?
C23 C22 C21 120.3(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C22 120.5(3) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 119.9(3) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C26 120.0(3) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C21 C26 C25 120.7(3) . . ?
C21 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C1 177.3(3) . . ?
C27 C28 Si1 172.3(3) . . ?
C30 C29 C31 109.9(3) . . ?
C30 C29 Si1 114.3(3) . . ?
C31 C29 Si1 112.4(3) . . ?
C30 C29 H29 106.6 . . ?
C31 C29 H29 106.6 . . ?
Si1 C29 H29 106.6 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C34 C32 C33 110.5(3) . . ?
C34 C32 Si1 111.4(2) . . ?
C33 C32 Si1 113.1(2) . . ?
C34 C32 H32 107.1 . . ?
C33 C32 H32 107.1 . . ?
Si1 C32 H32 107.1 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 Si1 117.6(2) . . ?
C36 C35 H35A 107.9 . . ?
Si1 C35 H35A 107.9 . . ?
C36 C35 H35B 107.9 . . ?
Si1 C35 H35B 107.9 . . ?
H35A C35 H35B 107.2 . . ?
C37 C36 C35 113.9(3) . . ?
C37 C36 H36A 108.8 . . ?
C35 C36 H36A 108.8 . . ?
C37 C36 H36B 108.8 . . ?
C35 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
C36 C37 C38 112.7(3) . . ?
C36 C37 H37A 109.1 . . ?
C38 C37 H37A 109.1 . . ?
C36 C37 H37B 109.1 . . ?
C38 C37 H37B 109.1 . . ?
H37A C37 H37B 107.8 . . ?
C39 C38 C37 113.8(3) . . ?
C39 C38 H38A 108.8 . . ?
C37 C38 H38A 108.8 . . ?
C39 C38 H38B 108.8 . . ?
C37 C38 H38B 108.8 . . ?
H38A C38 H38B 107.7 . . ?
C38 C39 C40 114.3(3) . . ?
C38 C39 H39A 108.7 . . ?
C40 C39 H39A 108.7 . . ?
C38 C39 H39B 108.7 . . ?
C40 C39 H39B 108.7 . . ?
H39A C39 H39B 107.6 . . ?
C41 C40 C39 114.9(3) . . ?
C41 C40 H40A 108.5 . . ?
C39 C40 H40A 108.5 . . ?
C41 C40 H40B 108.5 . . ?
C39 C40 H40B 108.5 . . ?
H40A C40 H40B 107.5 . . ?
C40 C41 C42 113.7(3) . . ?
C40 C41 H41A 108.8 . . ?
C42 C41 H41A 108.8 . . ?
C40 C41 H41B 108.8 . . ?
C42 C41 H41B 108.8 . . ?
H41A C41 H41B 107.7 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C8 176.4(3) . . ?
C43 C44 Si2 173.9(3) . . ?
C47 C45 C46 110.4(3) . . ?
C47 C45 Si2 113.5(2) . . ?
C46 C45 Si2 112.9(2) . . ?
C47 C45 H45 106.5 . . ?
C46 C45 H45 106.5 . . ?
Si2 C45 H45 106.5 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 C50 111.2(3) . . ?
C49 C48 Si2 111.5(2) . . ?
C50 C48 Si2 111.7(3) . . ?
C49 C48 H48 107.4 . . ?
C50 C48 H48 107.4 . . ?
Si2 C48 H48 107.4 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C48 C50 H50A 109.5 . . ?
C48 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C48 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52 C51 Si2 115.3(5) . . ?
C52 C51 H51A 108.4 . . ?
Si2 C51 H51A 108.4 . . ?
C52 C51 H51B 108.4 . . ?
Si2 C51 H51B 108.4 . . ?
H51A C51 H51B 107.5 . . ?
C53 C52 C51 114.6(6) . . ?
C53 C52 H52A 108.6 . . ?
C51 C52 H52A 108.6 . . ?
C53 C52 H52B 108.6 . . ?
C51 C52 H52B 108.6 . . ?
H52A C52 H52B 107.6 . . ?
C52 C53 C54 115.1(6) . . ?
C52 C53 H53A 108.5 . . ?
C54 C53 H53A 108.5 . . ?
C52 C53 H53B 108.5 . . ?
C54 C53 H53B 108.5 . . ?
H53A C53 H53B 107.5 . . ?
C53 C54 C55 100.9(7) . . ?
C53 C54 H54A 111.6 . . ?
C55 C54 H54A 111.6 . . ?
C53 C54 H54B 111.6 . . ?
C55 C54 H54B 111.6 . . ?
H54A C54 H54B 109.4 . . ?
C56 C55 C54 124.1(7) . . ?
C56 C55 H55A 106.3 . . ?
C54 C55 H55A 106.3 . . ?
C56 C55 H55B 106.3 . . ?
C54 C55 H55B 106.3 . . ?
H55A C55 H55B 106.4 . . ?
C57 C56 C55 106.0(11) . . ?
C57 C56 H56A 110.5 . . ?
C55 C56 H56A 110.5 . . ?
C57 C56 H56B 110.5 . . ?
C55 C56 H56B 110.5 . . ?
H56A C56 H56B 108.7 . . ?
C56 C57 C58 107.7(12) . . ?
C56 C57 H57A 110.2 . . ?
C58 C57 H57A 110.2 . . ?
C56 C57 H57B 110.2 . . ?
C58 C57 H57B 110.2 . . ?
H57A C57 H57B 108.5 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C52' C51' Si2 113.8(5) . . ?
C52' C51' H51C 108.8 . . ?
Si2 C51' H51C 108.8 . . ?
C52' C51' H51D 108.8 . . ?
Si2 C51' H51D 108.8 . . ?
H51C C51' H51D 107.7 . . ?
C53' C52' C51' 115.5(6) . . ?
C53' C52' H52C 108.4 . . ?
C51' C52' H52C 108.4 . . ?
C53' C52' H52D 108.4 . . ?
C51' C52' H52D 108.4 . . ?
H52C C52' H52D 107.5 . . ?
C54' C53' C52' 118.3(7) . . ?
C54' C53' H53C 107.7 . . ?
C52' C53' H53C 107.7 . . ?
C54' C53' H53D 107.7 . . ?
C52' C53' H53D 107.7 . . ?
H53C C53' H53D 107.1 . . ?
C53' C54' C55' 103.6(8) . . ?
C53' C54' H54C 111.0 . . ?
C55' C54' H54C 111.0 . . ?
C53' C54' H54D 111.0 . . ?
C55' C54' H54D 111.0 . . ?
H54C C54' H54D 109.0 . . ?
C56' C55' C54' 120.3(9) . . ?
C56' C55' H55C 107.2 . . ?
C54' C55' H55C 107.2 . . ?
C56' C55' H55D 107.2 . . ?
C54' C55' H55D 107.2 . . ?
H55C C55' H55D 106.9 . . ?
C57' C56' C55' 105.8(12) . . ?
C57' C56' H56C 110.6 . . ?
C55' C56' H56C 110.6 . . ?
C57' C56' H56D 110.6 . . ?
C55' C56' H56D 110.6 . . ?
H56C C56' H56D 108.7 . . ?
C56' C57' C58' 112.2(15) . . ?
C56' C57' H57C 109.2 . . ?
C58' C57' H57C 109.2 . . ?
C56' C57' H57D 109.2 . . ?
C58' C57' H57D 109.2 . . ?
H57C C57' H57D 107.9 . . ?
C57' C58' H58D 109.5 . . ?
C57' C58' H58E 109.5 . . ?
H58D C58' H58E 109.5 . . ?
C57' C58' H58F 109.5 . . ?
H58D C58' H58F 109.5 . . ?
H58E C58' H58F 109.5 . . ?

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
C18 C1 C2 C3 179.6(3) . . . . ?
C27 C1 C2 C3 -0.6(4) . . . . ?
C18 C1 C2 C7 0.5(4) . . . . ?
C27 C1 C2 C7 -179.7(3) . . . . ?
C1 C2 C3 C4 -179.1(3) . . . . ?
C7 C2 C3 C4 0.0(5) . . . . ?
C2 C3 C4 C5 0.5(5) . . . . ?
C3 C4 C5 C6 -1.2(5) . . . . ?
C4 C5 C6 C7 1.2(5) . . . . ?
C5 C6 C7 C8 179.3(3) . . . . ?
C5 C6 C7 C2 -0.6(5) . . . . ?
C1 C2 C7 C8 -0.8(4) . . . . ?
C3 C2 C7 C8 -180.0(3) . . . . ?
C1 C2 C7 C6 179.2(3) . . . . ?
C3 C2 C7 C6 0.0(4) . . . . ?
C6 C7 C8 C43 -4.0(4) . . . . ?
C2 C7 C8 C43 175.9(3) . . . . ?
C6 C7 C8 C9 179.4(3) . . . . ?
C2 C7 C8 C9 -0.7(4) . . . . ?
C7 C8 C9 C10 -178.6(3) . . . . ?
C43 C8 C9 C10 4.8(4) . . . . ?
C7 C8 C9 C18 2.4(4) . . . . ?
C43 C8 C9 C18 -174.3(3) . . . . ?
C8 C9 C10 C11 -176.7(3) . . . . ?
C18 C9 C10 C11 2.4(4) . . . . ?
C9 C10 C11 C12 -178.1(3) . . . . ?
C9 C10 C11 C16 2.3(4) . . . . ?
C10 C11 C12 C13 -178.5(3) . . . . ?
C16 C11 C12 C13 1.1(4) . . . . ?
C10 C11 C12 C21 2.5(4) . . . . ?
C16 C11 C12 C21 -177.9(3) . . . . ?
C11 C12 C13 C20 -176.3(3) . . . 3_666 ?
C21 C12 C13 C20 2.7(4) . . . 3_666 ?
C11 C12 C13 C14 2.8(4) . . . . ?
C21 C12 C13 C14 -178.2(3) . . . . ?
C12 C13 C14 C15 -2.6(4) . . . . ?
C20 C13 C14 C15 176.5(3) 3_666 . . . ?
C12 C13 C14 C14 177.1(3) . . . 3_666 ?
C20 C13 C14 C14 -3.7(5) 3_666 . . 3_666 ?
C14 C14 C15 C19 -3.2(5) 3_666 . . . ?
C13 C14 C15 C19 176.6(3) . . . . ?
C14 C14 C15 C16 178.7(3) 3_666 . . . ?
C13 C14 C15 C16 -1.6(4) . . . . ?
C14 C15 C16 C17 -174.9(3) . . . . ?
C19 C15 C16 C17 7.0(4) . . . . ?
C14 C15 C16 C11 5.5(4) . . . . ?
C19 C15 C16 C11 -172.6(3) . . . . ?
C10 C11 C16 C17 -5.3(4) . . . . ?
C12 C11 C16 C17 175.1(3) . . . . ?
C10 C11 C16 C15 174.4(3) . . . . ?
C12 C11 C16 C15 -5.3(4) . . . . ?
C15 C16 C17 C18 -175.8(3) . . . . ?
C11 C16 C17 C18 3.9(4) . . . . ?
C16 C17 C18 C1 178.6(3) . . . . ?
C16 C17 C18 C9 0.7(4) . . . . ?
C2 C1 C18 C17 -176.6(3) . . . . ?
C27 C1 C18 C17 3.6(4) . . . . ?
C2 C1 C18 C9 1.3(4) . . . . ?
C27 C1 C18 C9 -178.5(2) . . . . ?
C10 C9 C18 C17 -3.9(4) . . . . ?
C8 C9 C18 C17 175.2(3) . . . . ?
C10 C9 C18 C1 178.2(3) . . . . ?
C8 C9 C18 C1 -2.7(4) . . . . ?
C14 C15 C19 C20 3.1(4) . . . . ?
C16 C15 C19 C20 -178.7(3) . . . . ?
C15 C19 C20 C13 0.5(5) . . . 3_666 ?
C13 C12 C21 C26 68.7(4) . . . . ?
C11 C12 C21 C26 -112.3(3) . . . . ?
C13 C12 C21 C22 -109.2(3) . . . . ?
C11 C12 C21 C22 69.8(4) . . . . ?
C26 C21 C22 C23 -0.5(5) . . . . ?
C12 C21 C22 C23 177.4(3) . . . . ?
C21 C22 C23 C24 0.0(5) . . . . ?
C22 C23 C24 C25 0.2(5) . . . . ?
C23 C24 C25 C26 -0.1(5) . . . . ?
C22 C21 C26 C25 0.7(5) . . . . ?
C12 C21 C26 C25 -177.3(3) . . . . ?
C24 C25 C26 C21 -0.4(5) . . . . ?
C28 Si1 C29 C30 44.1(3) . . . . ?
C35 Si1 C29 C30 157.6(3) . . . . ?
C32 Si1 C29 C30 -76.7(3) . . . . ?
C28 Si1 C29 C31 170.3(3) . . . . ?
C35 Si1 C29 C31 -76.2(3) . . . . ?
C32 Si1 C29 C31 49.5(4) . . . . ?
C28 Si1 C32 C34 63.7(3) . . . . ?
C35 Si1 C32 C34 -49.2(3) . . . . ?
C29 Si1 C32 C34 -176.4(3) . . . . ?
C28 Si1 C32 C33 -61.5(3) . . . . ?
C35 Si1 C32 C33 -174.5(3) . . . . ?
C29 Si1 C32 C33 58.4(3) . . . . ?
C28 Si1 C35 C36 -172.5(2) . . . . ?
C32 Si1 C35 C36 -55.9(3) . . . . ?
C29 Si1 C35 C36 71.6(3) . . . . ?
Si1 C35 C36 C37 166.4(2) . . . . ?
C35 C36 C37 C38 -72.5(4) . . . . ?
C36 C37 C38 C39 -178.5(3) . . . . ?
C37 C38 C39 C40 172.6(3) . . . . ?
C38 C39 C40 C41 63.6(4) . . . . ?
C39 C40 C41 C42 179.2(3) . . . . ?
C44 Si2 C45 C47 -174.6(3) . . . . ?
C51 Si2 C45 C47 58.0(4) . . . . ?
C48 Si2 C45 C47 -59.3(3) . . . . ?
C51' Si2 C45 C47 76.5(4) . . . . ?
C44 Si2 C45 C46 58.8(3) . . . . ?
C51 Si2 C45 C46 -68.5(4) . . . . ?
C48 Si2 C45 C46 174.2(3) . . . . ?
C51' Si2 C45 C46 -50.1(4) . . . . ?
C44 Si2 C48 C49 67.4(3) . . . . ?
C51 Si2 C48 C49 -167.4(3) . . . . ?
C45 Si2 C48 C49 -46.7(3) . . . . ?
C51' Si2 C48 C49 179.1(4) . . . . ?
C44 Si2 C48 C50 -57.7(3) . . . . ?
C51 Si2 C48 C50 67.5(4) . . . . ?
C45 Si2 C48 C50 -171.8(3) . . . . ?
C51' Si2 C48 C50 54.0(4) . . . . ?
C44 Si2 C51 C52 33.2(7) . . . . ?
C45 Si2 C51 C52 153.4(5) . . . . ?
C48 Si2 C51 C52 -85.3(6) . . . . ?
Si2 C51 C52 C53 -83.4(8) . . . . ?
C51 C52 C53 C54 179.3(7) . . . . ?
C52 C53 C54 C55 175.4(7) . . . . ?
C53 C54 C55 C56 -98.9(13) . . . . ?
C54 C55 C56 C57 -160.8(12) . . . . ?
C55 C56 C57 C58 -156.6(12) . . . . ?
C44 Si2 C51' C52' 167.2(6) . . . . ?
C45 Si2 C51' C52' -81.3(7) . . . . ?
C48 Si2 C51' C52' 52.0(8) . . . . ?
Si2 C51' C52' C53' -178.5(7) . . . . ?
C51' C52' C53' C54' -55.1(12) . . . . ?
C52' C53' C54' C55' 164.7(9) . . . . ?
C53' C54' C55' C56' -179.8(12) . . . . ?
C54' C55' C56' C57' -29(2) . . . . ?
C55' C56' C57' C58' -164.1(12) . . . . ?

_refine_diff_density_max         0.943
_refine_diff_density_min         -0.841
_refine_diff_density_rms         0.071



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_m22029
_database_code_depnum_ccdc_archive 'CCDC 2325314'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2017). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2024-01-13 deposited with the CCDC.	2024-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3

_shelx_SHELXL_version_number     2018/3

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C124 H154 Si4'
_chemical_formula_sum            'C124 H154 Si4'
_chemical_formula_weight         1756.82

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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. 
;

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'

_cell_length_a                   49.4349(19)
_cell_length_b                   13.3890(4)
_cell_length_c                   16.5216(6)
_cell_angle_alpha                90
_cell_angle_beta                 100.017(1)
_cell_angle_gamma                90
_cell_volume                     10768.7(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    9776
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      27.47

_exptl_crystal_description       'cut block'
_exptl_crystal_colour            brown-red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.084
_exptl_crystal_F_000             3816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.103
_shelx_estimated_absorpt_T_min   0.969
_shelx_estimated_absorpt_T_max   0.985
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.878
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
The crystals underwent a destructive phase transition when cooled to 90K. 
Visual inspection of crystal integrity and diffraction quality vs temperature 
established a safe temperature for data collection of -93° C. 
;

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            78068
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_av_R_equivalents  0.0479
_diffrn_reflns_limit_h_min       -64
_diffrn_reflns_limit_h_max       64
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.968
_diffrn_reflns_theta_max         27.495
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998

_reflns_number_total             12362
_reflns_number_gt                8398
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
; 
Reflections were merged by SHELXL according to the crystal 
class for the calculation of statistics and refinement. 
 
_reflns_Friedel_fraction is defined as the number of unique 
Friedel pairs measured divided by the number that would be 
possible theoretically, ignoring centric projections and 
systematic absences. 
;

_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
; 
Refinement progress was checked using Platon (Spek, 2009) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0829P)²+5.0143P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12362
_refine_ls_number_parameters     651
_refine_ls_number_restraints     254
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0547
_refine_ls_wR_factor_ref         0.1737
_refine_ls_wR_factor_gt          0.1547
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_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
C1 C 0.78728(3) 0.87110(12) 0.56086(10) 0.0325(4) Uani 1 1 d . . . . .
H1 H 0.803836 0.907970 0.575409 0.039 Uiso 1 1 calc R U . . .
C2 C 0.76519(3) 0.89771(12) 0.59364(10) 0.0330(4) Uani 1 1 d . . . . .
H2 H 0.766684 0.952332 0.630848 0.040 Uiso 1 1 calc R U . . .
C3 C 0.73957(3) 0.84597(11) 0.57395(9) 0.0281(3) Uani 1 1 d . . . . .
C4 C 0.71687(3) 0.87301(11) 0.60877(9) 0.0287(3) Uani 1 1 d . . . . .
C5 C 0.69139(3) 0.82175(11) 0.58673(9) 0.0271(3) Uani 1 1 d . . . . .
C6 C 0.66800(3) 0.84868(12) 0.61860(9) 0.0286(3) Uani 1 1 d . . . . .
H6 H 0.669464 0.900843 0.658100 0.034 Uiso 1 1 calc R U . . .
C7 C 0.64253(3) 0.80203(11) 0.59476(9) 0.0269(3) Uani 1 1 d . . . . .
C8 C 0.61886(3) 0.82958(12) 0.62702(9) 0.0290(3) Uani 1 1 d . . . . .
C9 C 0.59322(3) 0.78192(12) 0.6004(1) 0.0299(4) Uani 1 1 d . . . . .
C10 C 0.56955(4) 0.80831(13) 0.63219(11) 0.0354(4) Uani 1 1 d . . . . .
H10 H 0.570664 0.861049 0.671095 0.043 Uiso 1 1 calc R U . . .
C11 C 0.54473(4) 0.75976(13) 0.60849(11) 0.0352(4) Uani 1 1 d . . . . .
C12 C 0.52091(4) 0.78362(15) 0.64290(13) 0.0456(5) Uani 1 1 d . . . . .
H12 H 0.521794 0.835773 0.682263 0.055 Uiso 1 1 calc R U . . .
C13 C 0.49712(4) 0.73287(16) 0.62011(14) 0.0507(5) Uani 1 1 d . . . . .
H13 H 0.481612 0.749069 0.644372 0.061 Uiso 1 1 calc R U . . .
C14 C 0.49508(4) 0.65614(16) 0.56071(14) 0.0513(5) Uani 1 1 d . . . . .
H14 H 0.478143 0.622024 0.544808 0.062 Uiso 1 1 calc R U . . .
C15 C 0.51705(4) 0.63066(15) 0.52615(13) 0.0438(5) Uani 1 1 d . . . . .
H15 H 0.515353 0.578587 0.486537 0.053 Uiso 1 1 calc R U . . .
C16 C 0.54272(4) 0.68114(13) 0.54856(10) 0.0333(4) Uani 1 1 d . . . . .
C17 C 0.56568(4) 0.65638(12) 0.51551(10) 0.0318(4) Uani 1 1 d . . . . .
H17 H 0.564188 0.605208 0.475143 0.038 Uiso 1 1 calc R U . . .
C18 C 0.59104(3) 0.70392(12) 0.53934(9) 0.0288(3) Uani 1 1 d . . . . .
C19 C 0.61465(3) 0.67710(11) 0.50628(9) 0.0282(3) Uani 1 1 d . . . . .
C20 C 0.64028(3) 0.72382(11) 0.53383(9) 0.0271(3) Uani 1 1 d . . . . .
C21 C 0.66397(3) 0.69521(11) 0.50350(9) 0.0276(3) Uani 1 1 d . . . . .
H21 H 0.662567 0.642452 0.464542 0.033 Uiso 1 1 calc R U . . .
C22 C 0.68932(3) 0.74054(11) 0.52788(9) 0.0271(3) Uani 1 1 d . . . . .
C23 C 0.71336(3) 0.71082(11) 0.49512(9) 0.0272(3) Uani 1 1 d . . . . .
C24 C 0.73800(3) 0.76356(11) 0.51683(9) 0.0264(3) Uani 1 1 d . . . . .
C25 C 0.71998(3) 0.95783(13) 0.66907(11) 0.0348(4) Uani 1 1 d . . . . .
C26 C 0.71822(5) 1.05575(15) 0.64256(15) 0.0537(6) Uani 1 1 d . . . . .
H26 H 0.713348 1.069716 0.585504 0.064 Uiso 1 1 calc R U . . .
C27 C 0.72345(6) 1.13413(18) 0.69810(19) 0.0743(8) Uani 1 1 d . . . . .
H27 H 0.722106 1.201085 0.678795 0.089 Uiso 1 1 calc R U . . .
C28 C 0.73049(5) 1.1156(2) 0.77978(19) 0.0743(9) Uani 1 1 d . . . . .
H28 H 0.734265 1.169416 0.817530 0.089 Uiso 1 1 calc R U . . .
C29 C 0.73212(5) 1.0190(2) 0.80767(15) 0.0698(8) Uani 1 1 d . . . . .
H29 H 0.736954 1.006217 0.864914 0.084 Uiso 1 1 calc R U . . .
C30 C 0.72675(4) 0.93918(18) 0.75266(12) 0.0522(5) Uani 1 1 d . . . . .
H30 H 0.727729 0.872456 0.772506 0.063 Uiso 1 1 calc R U . . .
C31 C 0.62088(3) 0.90608(12) 0.68771(10) 0.0313(4) Uani 1 1 d . . . . .
C32 C 0.62251(4) 0.97201(13) 0.73794(10) 0.0340(4) Uani 1 1 d . . . . .
Si1 Si 0.63004(2) 1.08336(4) 0.80321(3) 0.03500(14) Uani 1 1 d D . . . .
C33 C 0.65321(4) 1.15876(14) 0.74709(11) 0.0444(5) Uani 1 1 d D . . . .
H33 H 0.668953 1.114605 0.740097 0.053 Uiso 1 1 calc R U . . .
C34 C 0.63886(6) 1.18880(19) 0.66082(13) 0.0671(7) Uani 1 1 d D . . . .
H34A H 0.652178 1.220290 0.631329 0.101 Uiso 1 1 calc R U . . .
H34B H 0.624042 1.236080 0.665119 0.101 Uiso 1 1 calc R U . . .
H34C H 0.631173 1.129248 0.630809 0.101 Uiso 1 1 calc R U . . .
C35 C 0.66529(5) 1.25005(17) 0.79478(13) 0.0607(6) Uani 1 1 d D . . . .
H35A H 0.677571 1.284852 0.763564 0.091 Uiso 1 1 calc R U . . .
H35B H 0.675680 1.229116 0.848085 0.091 Uiso 1 1 calc R U . . .
H35C H 0.650430 1.295057 0.803458 0.091 Uiso 1 1 calc R U . . .
C36 C 0.64864(4) 1.04223(16) 0.90651(11) 0.0467(5) Uani 1 1 d D . . . .
H36 H 0.654368 1.104709 0.938045 0.056 Uiso 1 1 calc R U . . .
C37 C 0.63152(6) 0.9842(2) 0.95711(15) 0.0826(9) Uani 1 1 d D . . . .
H37A H 0.615964 1.025196 0.966701 0.124 Uiso 1 1 calc R U . . .
H37B H 0.642787 0.966289 1.009937 0.124 Uiso 1 1 calc R U . . .
H37C H 0.624654 0.923249 0.927622 0.124 Uiso 1 1 calc R U . . .
C38 C 0.67461(7) 0.9876(4) 0.89989(19) 0.1400(19) Uani 1 1 d D . . . .
H38A H 0.685953 0.981526 0.954548 0.210 Uiso 1 1 calc R U . . .
H38B H 0.684755 1.024660 0.863658 0.210 Uiso 1 1 calc R U . . .
H38C H 0.670116 0.920849 0.877118 0.210 Uiso 1 1 calc R U . . .
C39 C 0.59752(4) 1.15048(15) 0.81048(14) 0.0521(5) Uani 1 1 d D . . . .
H39A H 0.601626 1.201117 0.854569 0.063 Uiso 1 1 calc R U . . .
H39B H 0.591592 1.186851 0.758234 0.063 Uiso 1 1 calc R U . . .
C40 C 0.57365(5) 1.0885(2) 0.82725(17) 0.0670(7) Uani 1 1 d D . . . .
H40A H 0.567730 1.044419 0.779329 0.080 Uiso 1 1 calc R U . . .
H40B H 0.580195 1.045017 0.875125 0.080 Uiso 1 1 calc R U . . .
C41 C 0.54907(5) 1.1451(2) 0.84399(17) 0.0720(8) Uani 1 1 d D . . . .
H41A H 0.555039 1.189660 0.891572 0.086 Uiso 1 1 calc R U . . .
H41B H 0.542439 1.188133 0.795896 0.086 Uiso 1 1 calc R U . . .
C42 C 0.52543(5) 1.0840(3) 0.86139(19) 0.0876(10) Uani 1 1 d D . . . .
H42A H 0.518621 1.043091 0.812154 0.105 Uiso 1 1 calc R U . . .
H42B H 0.532390 1.037408 0.906775 0.105 Uiso 1 1 calc R U . . .
C43 C 0.50165(5) 1.1395(3) 0.88389(19) 0.0945(11) Uani 1 1 d D . . . .
H43A H 0.494522 1.185353 0.838096 0.113 Uiso 1 1 calc R U . . .
H43B H 0.508537 1.181353 0.932545 0.113 Uiso 1 1 calc R U . . .
C44 C 0.47817(5) 1.0789(3) 0.90263(18) 0.0903(10) Uani 1 1 d D . . . .
H44A H 0.470838 1.038944 0.853235 0.108 Uiso 1 1 calc R U . . .
H44B H 0.485417 1.031308 0.947007 0.108 Uiso 1 1 calc R U . . .
C45 C 0.45486(6) 1.1341(3) 0.9279(2) 0.1070(13) Uani 1 1 d D . . . .
H45A H 0.447159 1.180300 0.883051 0.128 Uiso 1 1 calc R U . . .
H45B H 0.462123 1.175144 0.976707 0.128 Uiso 1 1 calc R U . . .
C46 C 0.43192(6) 1.0702(3) 0.9482(2) 0.0989(11) Uani 1 1 d D . . . .
H46A H 0.421597 1.041584 0.897507 0.148 Uiso 1 1 calc R U . . .
H46B H 0.419624 1.111253 0.974972 0.148 Uiso 1 1 calc R U . . .
H46C H 0.439593 1.016307 0.985301 0.148 Uiso 1 1 calc R U . . .
C47 C 0.61207(3) 0.60222(12) 0.44383(10) 0.0317(4) Uani 1 1 d . . . . .
C48 C 0.60847(4) 0.53922(14) 0.39104(11) 0.0385(4) Uani 1 1 d . . . . .
Si2 Si 0.59841(2) 0.42961(5) 0.32327(4) 0.0386(2) Uani 0.7750(14) 1 d D . P A 1
C49 C 0.58546(8) 0.3347(3) 0.3911(2) 0.0477(9) Uani 0.7750(14) 1 d D . P A 1
H49 H 0.568282 0.362724 0.406302 0.057 Uiso 0.7750(14) 1 calc R U P A 1
C50 C 0.60492(9) 0.3138(3) 0.47077(19) 0.0823(12) Uani 0.7750(14) 1 d D . P A 1
H50A H 0.621985 0.284968 0.458609 0.124 Uiso 0.7750(14) 1 calc R U P A 1
H50B H 0.596319 0.266637 0.503925 0.124 Uiso 0.7750(14) 1 calc R U P A 1
H50C H 0.609024 0.376289 0.501330 0.124 Uiso 0.7750(14) 1 calc R U P A 1
C51 C 0.57745(7) 0.2363(2) 0.34503(19) 0.0488(8) Uani 0.7750(14) 1 d D . P A 1
H51A H 0.563008 0.249324 0.297537 0.073 Uiso 0.7750(14) 1 calc R U P A 1
H51B H 0.570659 0.188921 0.382005 0.073 Uiso 0.7750(14) 1 calc R U P A 1
H51C H 0.593561 0.208125 0.326203 0.073 Uiso 0.7750(14) 1 calc R U P A 1
C52 C 0.56996(6) 0.4690(2) 0.23825(16) 0.0504(7) Uani 0.7750(14) 1 d D . P A 1
H52 H 0.564927 0.408619 0.203250 0.060 Uiso 0.7750(14) 1 calc R U P A 1
C53 C 0.54418(8) 0.5005(4) 0.2697(3) 0.0951(13) Uani 0.7750(14) 1 d D . P A 1
H53A H 0.529643 0.515802 0.223004 0.143 Uiso 0.7750(14) 1 calc R U P A 1
H53B H 0.548094 0.559900 0.304368 0.143 Uiso 0.7750(14) 1 calc R U P A 1
H53C H 0.538143 0.446034 0.301983 0.143 Uiso 0.7750(14) 1 calc R U P A 1
C54 C 0.57822(9) 0.5486(3) 0.1824(3) 0.0912(13) Uani 0.7750(14) 1 d D . P A 1
H54A H 0.593023 0.523128 0.155608 0.137 Uiso 0.7750(14) 1 calc R U P A 1
H54B H 0.584622 0.607915 0.214864 0.137 Uiso 0.7750(14) 1 calc R U P A 1
H54C H 0.562362 0.566221 0.140521 0.137 Uiso 0.7750(14) 1 calc R U P A 1
C55 C 0.62950(6) 0.3823(2) 0.28537(19) 0.0571(7) Uani 0.7750(14) 1 d D . P A 1
H55A H 0.639731 0.339096 0.328838 0.069 Uiso 0.7750(14) 1 calc R U P A 1
H55B H 0.623106 0.339072 0.237226 0.069 Uiso 0.7750(14) 1 calc R U P A 1
C56 C 0.64941(8) 0.4555(2) 0.2611(2) 0.0731(10) Uani 0.7750(14) 1 d D . P A 1
H56A H 0.639416 0.499628 0.217822 0.088 Uiso 0.7750(14) 1 calc R U P A 1
H56B H 0.656446 0.497915 0.309253 0.088 Uiso 0.7750(14) 1 calc R U P A 1
C57 C 0.67330(7) 0.4111(3) 0.2301(2) 0.0694(9) Uani 0.7750(14) 1 d D . P A 1
H57A H 0.666229 0.362155 0.186640 0.083 Uiso 0.7750(14) 1 calc R U P A 1
H57B H 0.684509 0.373739 0.275746 0.083 Uiso 0.7750(14) 1 calc R U P A 1
C58 C 0.69163(7) 0.4825(3) 0.1963(2) 0.0733(9) Uani 0.7750(14) 1 d D . P A 1
H58A H 0.707791 0.445353 0.184194 0.088 Uiso 0.7750(14) 1 calc R U P A 1
H58B H 0.698372 0.532661 0.239043 0.088 Uiso 0.7750(14) 1 calc R U P A 1
C59 C 0.67840(8) 0.5363(3) 0.1196(2) 0.0598(8) Uani 0.7750(14) 1 d D . P A 1
H59A H 0.664794 0.584546 0.133825 0.072 Uiso 0.7750(14) 1 calc R U P A 1
H59B H 0.668456 0.487327 0.080437 0.072 Uiso 0.7750(14) 1 calc R U P A 1
C60 C 0.69900(7) 0.5913(3) 0.0787(2) 0.0724(10) Uani 0.7750(14) 1 d D . P A 1
H60A H 0.709043 0.638921 0.118900 0.087 Uiso 0.7750(14) 1 calc R U P A 1
H60B H 0.712538 0.542252 0.065236 0.087 Uiso 0.7750(14) 1 calc R U P A 1
C61 C 0.68789(8) 0.6470(3) 0.0031(2) 0.0771(10) Uani 0.7750(14) 1 d D . P A 1
H61A H 0.674757 0.697356 0.016888 0.093 Uiso 0.7750(14) 1 calc R U P A 1
H61B H 0.677401 0.599733 -0.036544 0.093 Uiso 0.7750(14) 1 calc R U P A 1
C62 C 0.70907(10) 0.7007(4) -0.0399(3) 0.1104(15) Uani 0.7750(14) 1 d D . P A 1
H62A H 0.721427 0.651398 -0.057815 0.166 Uiso 0.7750(14) 1 calc R U P A 1
H62B H 0.719760 0.747640 -0.001453 0.166 Uiso 0.7750(14) 1 calc R U P A 1
H62C H 0.699467 0.737357 -0.087762 0.166 Uiso 0.7750(14) 1 calc R U P A 1
Si2' Si 0.60979(6) 0.4505(2) 0.30931(16) 0.0386(2) Uani 0.2250(14) 1 d D . P A
2
C49' C 0.60682(16) 0.3236(5) 0.3534(5) 0.055(2) Uani 0.2250(14) 1 d D . P A 2
H49' H 0.611462 0.274912 0.312060 0.066 Uiso 0.2250(14) 1 calc R U P A 2
C50' C 0.6275(2) 0.3067(9) 0.4317(7) 0.084(4) Uani 0.2250(14) 1 d D . P A 2
H50D H 0.645951 0.324107 0.421962 0.127 Uiso 0.2250(14) 1 calc R U P A 2
H50E H 0.622798 0.348847 0.475689 0.127 Uiso 0.2250(14) 1 calc R U P A 2
H50F H 0.627179 0.236382 0.447815 0.127 Uiso 0.2250(14) 1 calc R U P A 2
C51' C 0.5784(2) 0.2972(12) 0.3675(9) 0.071(5) Uani 0.2250(14) 1 d D . P A 2
H51D H 0.565178 0.308310 0.316742 0.106 Uiso 0.2250(14) 1 calc R U P A 2
H51E H 0.577922 0.226823 0.383470 0.106 Uiso 0.2250(14) 1 calc R U P A 2
H51F H 0.573542 0.339287 0.411344 0.106 Uiso 0.2250(14) 1 calc R U P A 2
C52' C 0.58138(17) 0.4796(8) 0.2224(5) 0.0504(7) Uani 0.2250(14) 1 d D . P A 2
H52' H 0.577117 0.416891 0.189714 0.060 Uiso 0.2250(14) 1 calc R U P A 2
C53' C 0.5552(2) 0.5134(16) 0.2494(10) 0.0951(13) Uani 0.2250(14) 1 d D . P A 2
H53D H 0.549361 0.463010 0.285727 0.143 Uiso 0.2250(14) 1 calc R U P A 2
H53E H 0.558439 0.576991 0.278840 0.143 Uiso 0.2250(14) 1 calc R U P A 2
H53F H 0.540815 0.522226 0.200995 0.143 Uiso 0.2250(14) 1 calc R U P A 2
C54' C 0.5907(3) 0.5573(13) 0.1658(9) 0.0912(13) Uani 0.2250(14) 1 d D . P A 2
H54D H 0.607666 0.534827 0.148545 0.137 Uiso 0.2250(14) 1 calc R U P A 2
H54E H 0.576359 0.566231 0.117249 0.137 Uiso 0.2250(14) 1 calc R U P A 2
H54F H 0.593983 0.620996 0.195095 0.137 Uiso 0.2250(14) 1 calc R U P A 2
C55' C 0.64520(17) 0.4718(8) 0.2844(7) 0.0571(7) Uani 0.2250(14) 1 d D . P A 2
H55C H 0.645447 0.538440 0.258607 0.069 Uiso 0.2250(14) 1 calc R U P A 2
H55D H 0.658452 0.473681 0.336764 0.069 Uiso 0.2250(14) 1 calc R U P A 2
C56' C 0.6551(3) 0.3972(7) 0.2294(8) 0.0731(10) Uani 0.2250(14) 1 d D . P A 2
H56C H 0.640086 0.381856 0.183296 0.088 Uiso 0.2250(14) 1 calc R U P A 2
H56D H 0.659957 0.334649 0.260582 0.088 Uiso 0.2250(14) 1 calc R U P A 2
C57' C 0.6797(2) 0.4326(9) 0.1954(8) 0.0694(9) Uani 0.2250(14) 1 d D . P A 2
H57C H 0.694589 0.447339 0.242062 0.083 Uiso 0.2250(14) 1 calc R U P A 2
H57D H 0.686034 0.377044 0.163844 0.083 Uiso 0.2250(14) 1 calc R U P A 2
C58' C 0.6755(3) 0.5226(13) 0.1411(11) 0.0733(9) Uani 0.2250(14) 1 d D . P A 2
H58C H 0.670332 0.580000 0.172841 0.088 Uiso 0.2250(14) 1 calc R U P A 2
H58D H 0.660234 0.509816 0.095007 0.088 Uiso 0.2250(14) 1 calc R U P A 2
C59' C 0.7009(3) 0.5486(9) 0.1071(7) 0.0598(8) Uani 0.2250(14) 1 d D . P A 2
H59C H 0.714518 0.576058 0.152683 0.072 Uiso 0.2250(14) 1 calc R U P A 2
H59D H 0.708619 0.485744 0.089328 0.072 Uiso 0.2250(14) 1 calc R U P A 2
C60' C 0.6983(3) 0.6206(11) 0.0371(8) 0.0724(10) Uani 0.2250(14) 1 d D . P A 2
H60C H 0.685684 0.590361 -0.009543 0.087 Uiso 0.2250(14) 1 calc R U P A 2
H60D H 0.689077 0.681047 0.053581 0.087 Uiso 0.2250(14) 1 calc R U P A 2
C61' C 0.7231(2) 0.6541(10) 0.0056(7) 0.0771(10) Uani 0.2250(14) 1 d D . P A 2
H61C H 0.732833 0.594234 -0.009470 0.093 Uiso 0.2250(14) 1 calc R U P A 2
H61D H 0.735406 0.688111 0.050842 0.093 Uiso 0.2250(14) 1 calc R U P A 2
C62' C 0.7182(4) 0.7245(13) -0.0687(9) 0.1104(15) Uani 0.2250(14) 1 d D . P A 2
H62D H 0.735826 0.741875 -0.084350 0.166 Uiso 0.2250(14) 1 calc R U P A 2
H62E H 0.706499 0.691275 -0.114902 0.166 Uiso 0.2250(14) 1 calc R U P A 2
H62F H 0.709080 0.785451 -0.054398 0.166 Uiso 0.2250(14) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.349(2) . ?
C1 C23 1.431(2) 7_666 ?
C1 H1 0.9500 . ?
C2 C3 1.430(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.395(2) . ?
C3 C24 1.445(2) . ?
C4 C5 1.425(2) . ?
C4 C25 1.501(2) . ?
C5 C6 1.399(2) . ?
C5 C22 1.450(2) . ?
C6 C7 1.399(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.417(2) . ?
C7 C20 1.443(2) . ?
C8 C9 1.419(2) . ?
C8 C31 1.425(2) . ?
C9 C10 1.408(2) . ?
C9 C18 1.443(2) . ?
C10 C11 1.384(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.430(2) . ?
C11 C16 1.437(2) . ?
C12 C13 1.354(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.412(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.355(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.428(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.383(2) . ?
C17 C18 1.400(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.418(2) . ?
C19 C20 1.415(2) . ?
C19 C47 1.428(2) . ?
C20 C21 1.405(2) . ?
C21 C22 1.388(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.445(2) . ?
C23 C24 1.400(2) . ?
C24 C24 1.442(3) 7_666 ?
C25 C26 1.380(3) . ?
C25 C30 1.386(3) . ?
C26 C27 1.388(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.357(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.370(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.398(3) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.205(2) . ?
C32 Si1 1.8396(17) . ?
Si1 C39 1.864(2) . ?
Si1 C36 1.875(2) . ?
Si1 C33 1.8867(19) . ?
C33 C35 1.519(3) . ?
C33 C34 1.531(3) . ?
C33 H33 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C38 1.498(3) . ?
C36 C37 1.505(3) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.507(3) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.498(3) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.495(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.492(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.493(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.489(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.503(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.204(2) . ?
C48 Si2' 1.808(3) . ?
C48 Si2 1.8603(19) . ?
Si2 C55 1.868(3) . ?
Si2 C49 1.878(4) . ?
Si2 C52 1.882(3) . ?
C49 C50 1.516(4) . ?
C49 C51 1.538(3) . ?
C49 H49 1.0000 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C54 1.511(4) . ?
C52 C53 1.517(4) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.493(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.490(4) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C58 1.491(4) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.504(4) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.509(5) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 C61 1.475(5) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.542(5) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
Si2' C49' 1.864(6) . ?
Si2' C52' 1.867(7) . ?
Si2' C55' 1.888(7) . ?
C49' C51' 1.506(8) . ?
C49' C50' 1.520(8) . ?
C49' H49' 1.0000 . ?
C50' H50D 0.9800 . ?
C50' H50E 0.9800 . ?
C50' H50F 0.9800 . ?
C51' H51D 0.9800 . ?
C51' H51E 0.9800 . ?
C51' H51F 0.9800 . ?
C52' C53' 1.510(8) . ?
C52' C54' 1.523(8) . ?
C52' H52' 1.0000 . ?
C53' H53D 0.9800 . ?
C53' H53E 0.9800 . ?
C53' H53F 0.9800 . ?
C54' H54D 0.9800 . ?
C54' H54E 0.9800 . ?
C54' H54F 0.9800 . ?
C55' C56' 1.490(7) . ?
C55' H55C 0.9900 . ?
C55' H55D 0.9900 . ?
C56' C57' 1.500(8) . ?
C56' H56C 0.9900 . ?
C56' H56D 0.9900 . ?
C57' C58' 1.495(9) . ?
C57' H57C 0.9900 . ?
C57' H57D 0.9900 . ?
C58' C59' 1.500(8) . ?
C58' H58C 0.9900 . ?
C58' H58D 0.9900 . ?
C59' C60' 1.493(8) . ?
C59' H59C 0.9900 . ?
C59' H59D 0.9900 . ?
C60' C61' 1.481(8) . ?
C60' H60C 0.9900 . ?
C60' H60D 0.9900 . ?
C61' C62' 1.533(9) . ?
C61' H61C 0.9900 . ?
C61' H61D 0.9900 . ?
C62' H62D 0.9800 . ?
C62' H62E 0.9800 . ?
C62' H62F 0.9800 . ?

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
C2 C1 C23 122.22(15) . 7_666 ?
C2 C1 H1 118.9 . . ?
C23 C1 H1 118.9 7_666 . ?
C1 C2 C3 121.84(15) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
C4 C3 C2 121.63(14) . . ?
C4 C3 C24 120.77(14) . . ?
C2 C3 C24 117.60(14) . . ?
C3 C4 C5 120.56(14) . . ?
C3 C4 C25 118.25(14) . . ?
C5 C4 C25 121.18(14) . . ?
C6 C5 C4 122.12(14) . . ?
C6 C5 C22 118.62(14) . . ?
C4 C5 C22 119.24(14) . . ?
C5 C6 C7 122.77(14) . . ?
C5 C6 H6 118.6 . . ?
C7 C6 H6 118.6 . . ?
C6 C7 C8 122.66(14) . . ?
C6 C7 C20 118.48(14) . . ?
C8 C7 C20 118.86(14) . . ?
C7 C8 C9 121.21(14) . . ?
C7 C8 C31 119.40(15) . . ?
C9 C8 C31 119.39(14) . . ?
C10 C9 C8 121.79(15) . . ?
C10 C9 C18 118.46(15) . . ?
C8 C9 C18 119.75(14) . . ?
C11 C10 C9 122.00(16) . . ?
C11 C10 H10 119.0 . . ?
C9 C10 H10 119.0 . . ?
C10 C11 C12 122.25(17) . . ?
C10 C11 C16 119.41(15) . . ?
C12 C11 C16 118.33(16) . . ?
C13 C12 C11 120.86(18) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C12 C13 C14 120.79(18) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C15 C14 C13 120.68(19) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 120.82(19) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 122.50(16) . . ?
C17 C16 C11 118.99(16) . . ?
C15 C16 C11 118.51(16) . . ?
C16 C17 C18 122.44(15) . . ?
C16 C17 H17 118.8 . . ?
C18 C17 H17 118.8 . . ?
C17 C18 C19 122.23(15) . . ?
C17 C18 C9 118.67(14) . . ?
C19 C18 C9 119.09(14) . . ?
C20 C19 C18 120.98(14) . . ?
C20 C19 C47 120.34(14) . . ?
C18 C19 C47 118.68(15) . . ?
C21 C20 C19 121.32(14) . . ?
C21 C20 C7 118.59(14) . . ?
C19 C20 C7 120.09(14) . . ?
C22 C21 C20 122.96(14) . . ?
C22 C21 H21 118.5 . . ?
C20 C21 H21 118.5 . . ?
C21 C22 C23 122.07(14) . . ?
C21 C22 C5 118.52(14) . . ?
C23 C22 C5 119.39(14) . . ?
C24 C23 C1 118.21(14) . 7_666 ?
C24 C23 C22 120.06(14) . . ?
C1 C23 C22 121.72(14) 7_666 . ?
C23 C24 C24 120.80(17) . 7_666 ?
C23 C24 C3 119.88(14) . . ?
C24 C24 C3 119.32(18) 7_666 . ?
C26 C25 C30 118.58(18) . . ?
C26 C25 C4 120.97(17) . . ?
C30 C25 C4 120.28(17) . . ?
C25 C26 C27 120.9(2) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C28 C27 C26 120.4(3) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C27 C28 C29 119.8(2) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C28 C29 C30 120.6(2) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C25 C30 C29 119.7(2) . . ?
C25 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C32 C31 C8 178.8(2) . . ?
C31 C32 Si1 168.56(15) . . ?
C32 Si1 C39 109.85(9) . . ?
C32 Si1 C36 108.23(9) . . ?
C39 Si1 C36 112.02(10) . . ?
C32 Si1 C33 102.93(8) . . ?
C39 Si1 C33 112.2(1) . . ?
C36 Si1 C33 111.16(9) . . ?
C35 C33 C34 110.38(18) . . ?
C35 C33 Si1 113.15(13) . . ?
C34 C33 Si1 112.06(15) . . ?
C35 C33 H33 107.0 . . ?
C34 C33 H33 107.0 . . ?
Si1 C33 H33 107.0 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C38 C36 C37 111.1(3) . . ?
C38 C36 Si1 111.58(16) . . ?
C37 C36 Si1 115.02(16) . . ?
C38 C36 H36 106.1 . . ?
C37 C36 H36 106.1 . . ?
Si1 C36 H36 106.1 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 Si1 117.26(15) . . ?
C40 C39 H39A 108.0 . . ?
Si1 C39 H39A 108.0 . . ?
C40 C39 H39B 108.0 . . ?
Si1 C39 H39B 108.0 . . ?
H39A C39 H39B 107.2 . . ?
C41 C40 C39 116.2(2) . . ?
C41 C40 H40A 108.2 . . ?
C39 C40 H40A 108.2 . . ?
C41 C40 H40B 108.2 . . ?
C39 C40 H40B 108.2 . . ?
H40A C40 H40B 107.4 . . ?
C42 C41 C40 116.4(2) . . ?
C42 C41 H41A 108.2 . . ?
C40 C41 H41A 108.2 . . ?
C42 C41 H41B 108.2 . . ?
C40 C41 H41B 108.2 . . ?
H41A C41 H41B 107.3 . . ?
C43 C42 C41 116.8(3) . . ?
C43 C42 H42A 108.1 . . ?
C41 C42 H42A 108.1 . . ?
C43 C42 H42B 108.1 . . ?
C41 C42 H42B 108.1 . . ?
H42A C42 H42B 107.3 . . ?
C42 C43 C44 117.1(3) . . ?
C42 C43 H43A 108.0 . . ?
C44 C43 H43A 108.0 . . ?
C42 C43 H43B 108.0 . . ?
C44 C43 H43B 108.0 . . ?
H43A C43 H43B 107.3 . . ?
C45 C44 C43 117.1(3) . . ?
C45 C44 H44A 108.0 . . ?
C43 C44 H44A 108.0 . . ?
C45 C44 H44B 108.0 . . ?
C43 C44 H44B 108.0 . . ?
H44A C44 H44B 107.3 . . ?
C44 C45 C46 115.5(3) . . ?
C44 C45 H45A 108.4 . . ?
C46 C45 H45A 108.4 . . ?
C44 C45 H45B 108.4 . . ?
C46 C45 H45B 108.4 . . ?
H45A C45 H45B 107.5 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 C47 C19 176.65(18) . . ?
C47 C48 Si2' 168.86(19) . . ?
C47 C48 Si2 168.22(16) . . ?
C48 Si2 C55 108.65(11) . . ?
C48 Si2 C49 104.95(11) . . ?
C55 Si2 C49 110.85(16) . . ?
C48 Si2 C52 108.36(11) . . ?
C55 Si2 C52 113.35(14) . . ?
C49 Si2 C52 110.29(15) . . ?
C50 C49 C51 110.0(3) . . ?
C50 C49 Si2 114.4(2) . . ?
C51 C49 Si2 111.7(3) . . ?
C50 C49 H49 106.8 . . ?
C51 C49 H49 106.8 . . ?
Si2 C49 H49 106.8 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C54 C52 C53 110.2(3) . . ?
C54 C52 Si2 114.0(2) . . ?
C53 C52 Si2 112.7(2) . . ?
C54 C52 H52 106.5 . . ?
C53 C52 H52 106.5 . . ?
Si2 C52 H52 106.5 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 Si2 119.1(2) . . ?
C56 C55 H55A 107.5 . . ?
Si2 C55 H55A 107.5 . . ?
C56 C55 H55B 107.5 . . ?
Si2 C55 H55B 107.5 . . ?
H55A C55 H55B 107.0 . . ?
C57 C56 C55 115.4(3) . . ?
C57 C56 H56A 108.4 . . ?
C55 C56 H56A 108.4 . . ?
C57 C56 H56B 108.4 . . ?
C55 C56 H56B 108.4 . . ?
H56A C56 H56B 107.5 . . ?
C56 C57 C58 116.3(3) . . ?
C56 C57 H57A 108.2 . . ?
C58 C57 H57A 108.2 . . ?
C56 C57 H57B 108.2 . . ?
C58 C57 H57B 108.2 . . ?
H57A C57 H57B 107.4 . . ?
C57 C58 C59 114.8(3) . . ?
C57 C58 H58A 108.6 . . ?
C59 C58 H58A 108.6 . . ?
C57 C58 H58B 108.6 . . ?
C59 C58 H58B 108.6 . . ?
H58A C58 H58B 107.6 . . ?
C58 C59 C60 112.5(3) . . ?
C58 C59 H59A 109.1 . . ?
C60 C59 H59A 109.1 . . ?
C58 C59 H59B 109.1 . . ?
C60 C59 H59B 109.1 . . ?
H59A C59 H59B 107.8 . . ?
C61 C60 C59 116.4(3) . . ?
C61 C60 H60A 108.2 . . ?
C59 C60 H60A 108.2 . . ?
C61 C60 H60B 108.2 . . ?
C59 C60 H60B 108.2 . . ?
H60A C60 H60B 107.3 . . ?
C60 C61 C62 116.3(4) . . ?
C60 C61 H61A 108.2 . . ?
C62 C61 H61A 108.2 . . ?
C60 C61 H61B 108.2 . . ?
C62 C61 H61B 108.2 . . ?
H61A C61 H61B 107.4 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C48 Si2' C49' 106.9(3) . . ?
C48 Si2' C52' 108.5(4) . . ?
C49' Si2' C52' 113.0(4) . . ?
C48 Si2' C55' 102.6(3) . . ?
C49' Si2' C55' 111.2(5) . . ?
C52' Si2' C55' 113.8(5) . . ?
C51' C49' C50' 110.1(8) . . ?
C51' C49' Si2' 114.4(7) . . ?
C50' C49' Si2' 112.4(6) . . ?
C51' C49' H49' 106.5 . . ?
C50' C49' H49' 106.5 . . ?
Si2' C49' H49' 106.5 . . ?
C49' C50' H50D 109.5 . . ?
C49' C50' H50E 109.5 . . ?
H50D C50' H50E 109.5 . . ?
C49' C50' H50F 109.5 . . ?
H50D C50' H50F 109.5 . . ?
H50E C50' H50F 109.5 . . ?
C49' C51' H51D 109.5 . . ?
C49' C51' H51E 109.5 . . ?
H51D C51' H51E 109.5 . . ?
C49' C51' H51F 109.5 . . ?
H51D C51' H51F 109.5 . . ?
H51E C51' H51F 109.5 . . ?
C53' C52' C54' 110.0(9) . . ?
C53' C52' Si2' 113.8(8) . . ?
C54' C52' Si2' 110.4(7) . . ?
C53' C52' H52' 107.5 . . ?
C54' C52' H52' 107.5 . . ?
Si2' C52' H52' 107.5 . . ?
C52' C53' H53D 109.5 . . ?
C52' C53' H53E 109.5 . . ?
H53D C53' H53E 109.5 . . ?
C52' C53' H53F 109.5 . . ?
H53D C53' H53F 109.5 . . ?
H53E C53' H53F 109.5 . . ?
C52' C54' H54D 109.5 . . ?
C52' C54' H54E 109.5 . . ?
H54D C54' H54E 109.5 . . ?
C52' C54' H54F 109.5 . . ?
H54D C54' H54F 109.5 . . ?
H54E C54' H54F 109.5 . . ?
C56' C55' Si2' 116.6(7) . . ?
C56' C55' H55C 108.1 . . ?
Si2' C55' H55C 108.1 . . ?
C56' C55' H55D 108.1 . . ?
Si2' C55' H55D 108.1 . . ?
H55C C55' H55D 107.3 . . ?
C55' C56' C57' 113.0(8) . . ?
C55' C56' H56C 109.0 . . ?
C57' C56' H56C 109.0 . . ?
C55' C56' H56D 109.0 . . ?
C57' C56' H56D 109.0 . . ?
H56C C56' H56D 107.8 . . ?
C58' C57' C56' 116.4(9) . . ?
C58' C57' H57C 108.2 . . ?
C56' C57' H57C 108.2 . . ?
C58' C57' H57D 108.2 . . ?
C56' C57' H57D 108.2 . . ?
H57C C57' H57D 107.3 . . ?
C57' C58' C59' 112.1(9) . . ?
C57' C58' H58C 109.2 . . ?
C59' C58' H58C 109.2 . . ?
C57' C58' H58D 109.2 . . ?
C59' C58' H58D 109.2 . . ?
H58C C58' H58D 107.9 . . ?
C60' C59' C58' 118.4(9) . . ?
C60' C59' H59C 107.7 . . ?
C58' C59' H59C 107.7 . . ?
C60' C59' H59D 107.7 . . ?
C58' C59' H59D 107.7 . . ?
H59C C59' H59D 107.1 . . ?
C61' C60' C59' 120.2(10) . . ?
C61' C60' H60C 107.3 . . ?
C59' C60' H60C 107.3 . . ?
C61' C60' H60D 107.3 . . ?
C59' C60' H60D 107.3 . . ?
H60C C60' H60D 106.9 . . ?
C60' C61' C62' 116.3(10) . . ?
C60' C61' H61C 108.2 . . ?
C62' C61' H61C 108.2 . . ?
C60' C61' H61D 108.2 . . ?
C62' C61' H61D 108.2 . . ?
H61C C61' H61D 107.4 . . ?
C61' C62' H62D 109.5 . . ?
C61' C62' H62E 109.5 . . ?
H62D C62' H62E 109.5 . . ?
C61' C62' H62F 109.5 . . ?
H62D C62' H62F 109.5 . . ?
H62E C62' H62F 109.5 . . ?

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
C23 C1 C2 C3 -0.5(3) 7_666 . . . ?
C1 C2 C3 C4 179.22(16) . . . . ?
C1 C2 C3 C24 -0.3(3) . . . . ?
C2 C3 C4 C5 178.56(15) . . . . ?
C24 C3 C4 C5 -1.9(2) . . . . ?
C2 C3 C4 C25 -0.8(2) . . . . ?
C24 C3 C4 C25 178.69(15) . . . . ?
C3 C4 C5 C6 -178.13(15) . . . . ?
C25 C4 C5 C6 1.2(2) . . . . ?
C3 C4 C5 C22 0.3(2) . . . . ?
C25 C4 C5 C22 179.70(15) . . . . ?
C4 C5 C6 C7 177.05(15) . . . . ?
C22 C5 C6 C7 -1.4(2) . . . . ?
C5 C6 C7 C8 -179.87(15) . . . . ?
C5 C6 C7 C20 -0.9(2) . . . . ?
C6 C7 C8 C9 178.86(15) . . . . ?
C20 C7 C8 C9 -0.1(2) . . . . ?
C6 C7 C8 C31 -1.6(2) . . . . ?
C20 C7 C8 C31 179.47(14) . . . . ?
C7 C8 C9 C10 179.75(15) . . . . ?
C31 C8 C9 C10 0.2(2) . . . . ?
C7 C8 C9 C18 0.0(2) . . . . ?
C31 C8 C9 C18 -179.60(14) . . . . ?
C8 C9 C10 C11 -177.77(16) . . . . ?
C18 C9 C10 C11 2.0(3) . . . . ?
C9 C10 C11 C12 177.53(17) . . . . ?
C9 C10 C11 C16 -1.1(3) . . . . ?
C10 C11 C12 C13 -178.14(19) . . . . ?
C16 C11 C12 C13 0.5(3) . . . . ?
C11 C12 C13 C14 -1.1(3) . . . . ?
C12 C13 C14 C15 1.0(3) . . . . ?
C13 C14 C15 C16 -0.4(3) . . . . ?
C14 C15 C16 C17 179.09(18) . . . . ?
C14 C15 C16 C11 -0.1(3) . . . . ?
C10 C11 C16 C17 -0.5(3) . . . . ?
C12 C11 C16 C17 -179.19(16) . . . . ?
C10 C11 C16 C15 178.78(17) . . . . ?
C12 C11 C16 C15 0.1(3) . . . . ?
C15 C16 C17 C18 -178.05(16) . . . . ?
C11 C16 C17 C18 1.2(3) . . . . ?
C16 C17 C18 C19 178.91(15) . . . . ?
C16 C17 C18 C9 -0.3(2) . . . . ?
C10 C9 C18 C17 -1.3(2) . . . . ?
C8 C9 C18 C17 178.49(15) . . . . ?
C10 C9 C18 C19 179.49(15) . . . . ?
C8 C9 C18 C19 -0.7(2) . . . . ?
C17 C18 C19 C20 -177.55(15) . . . . ?
C9 C18 C19 C20 1.6(2) . . . . ?
C17 C18 C19 C47 3.0(2) . . . . ?
C9 C18 C19 C47 -177.87(14) . . . . ?
C18 C19 C20 C21 177.72(14) . . . . ?
C47 C19 C20 C21 -2.8(2) . . . . ?
C18 C19 C20 C7 -1.8(2) . . . . ?
C47 C19 C20 C7 177.71(14) . . . . ?
C6 C7 C20 C21 2.5(2) . . . . ?
C8 C7 C20 C21 -178.52(14) . . . . ?
C6 C7 C20 C19 -178.00(14) . . . . ?
C8 C7 C20 C19 1.0(2) . . . . ?
C19 C20 C21 C22 178.75(15) . . . . ?
C7 C20 C21 C22 -1.7(2) . . . . ?
C20 C21 C22 C23 -179.18(14) . . . . ?
C20 C21 C22 C5 -0.6(2) . . . . ?
C6 C5 C22 C21 2.2(2) . . . . ?
C4 C5 C22 C21 -176.34(14) . . . . ?
C6 C5 C22 C23 -179.19(14) . . . . ?
C4 C5 C22 C23 2.3(2) . . . . ?
C21 C22 C23 C24 175.22(15) . . . . ?
C5 C22 C23 C24 -3.3(2) . . . . ?
C21 C22 C23 C1 -3.7(2) . . . 7_666 ?
C5 C22 C23 C1 177.74(15) . . . 7_666 ?
C1 C23 C24 C24 0.5(3) 7_666 . . 7_666 ?
C22 C23 C24 C24 -178.49(17) . . . 7_666 ?
C1 C23 C24 C3 -179.25(14) 7_666 . . . ?
C22 C23 C24 C3 1.8(2) . . . . ?
C4 C3 C24 C23 0.9(2) . . . . ?
C2 C3 C24 C23 -179.62(15) . . . . ?
C4 C3 C24 C24 -178.86(17) . . . 7_666 ?
C2 C3 C24 C24 0.7(3) . . . 7_666 ?
C3 C4 C25 C26 81.1(2) . . . . ?
C5 C4 C25 C26 -98.3(2) . . . . ?
C3 C4 C25 C30 -94.0(2) . . . . ?
C5 C4 C25 C30 86.6(2) . . . . ?
C30 C25 C26 C27 0.9(3) . . . . ?
C4 C25 C26 C27 -174.3(2) . . . . ?
C25 C26 C27 C28 0.1(4) . . . . ?
C26 C27 C28 C29 -0.7(4) . . . . ?
C27 C28 C29 C30 0.3(4) . . . . ?
C26 C25 C30 C29 -1.3(3) . . . . ?
C4 C25 C30 C29 173.98(18) . . . . ?
C28 C29 C30 C25 0.7(3) . . . . ?
C31 C32 Si1 C39 126.0(8) . . . . ?
C31 C32 Si1 C36 -111.4(9) . . . . ?
C31 C32 Si1 C33 6.3(9) . . . . ?
C32 Si1 C33 C35 -172.89(16) . . . . ?
C39 Si1 C33 C35 69.08(19) . . . . ?
C36 Si1 C33 C35 -57.23(19) . . . . ?
C32 Si1 C33 C34 61.53(17) . . . . ?
C39 Si1 C33 C34 -56.50(18) . . . . ?
C36 Si1 C33 C34 177.19(15) . . . . ?
C32 Si1 C36 C38 58.2(3) . . . . ?
C39 Si1 C36 C38 179.5(3) . . . . ?
C33 Si1 C36 C38 -54.1(3) . . . . ?
C32 Si1 C36 C37 -69.5(2) . . . . ?
C39 Si1 C36 C37 51.7(2) . . . . ?
C33 Si1 C36 C37 178.15(18) . . . . ?
C32 Si1 C39 C40 46.2(2) . . . . ?
C36 Si1 C39 C40 -74.1(2) . . . . ?
C33 Si1 C39 C40 160.01(17) . . . . ?
Si1 C39 C40 C41 172.09(18) . . . . ?
C39 C40 C41 C42 -179.5(2) . . . . ?
C40 C41 C42 C43 175.9(2) . . . . ?
C41 C42 C43 C44 -179.1(3) . . . . ?
C42 C43 C44 C45 177.9(3) . . . . ?
C43 C44 C45 C46 -178.6(3) . . . . ?
C47 C48 Si2 C55 -136.6(9) . . . . ?
C47 C48 Si2 C49 -17.9(9) . . . . ?
C47 C48 Si2 C52 99.9(9) . . . . ?
C48 Si2 C49 C50 -51.6(3) . . . . ?
C55 Si2 C49 C50 65.5(3) . . . . ?
C52 Si2 C49 C50 -168.1(3) . . . . ?
C48 Si2 C49 C51 -177.3(2) . . . . ?
C55 Si2 C49 C51 -60.2(3) . . . . ?
C52 Si2 C49 C51 66.2(3) . . . . ?
C48 Si2 C52 C54 63.3(3) . . . . ?
C55 Si2 C52 C54 -57.3(3) . . . . ?
C49 Si2 C52 C54 177.7(3) . . . . ?
C48 Si2 C52 C53 -63.3(3) . . . . ?
C55 Si2 C52 C53 176.0(3) . . . . ?
C49 Si2 C52 C53 51.1(3) . . . . ?
C48 Si2 C55 C56 -40.3(3) . . . . ?
C49 Si2 C55 C56 -155.1(3) . . . . ?
C52 Si2 C55 C56 80.3(3) . . . . ?
Si2 C55 C56 C57 -178.9(3) . . . . ?
C55 C56 C57 C58 173.0(3) . . . . ?
C56 C57 C58 C59 -65.1(4) . . . . ?
C57 C58 C59 C60 -168.6(3) . . . . ?
C58 C59 C60 C61 -179.6(3) . . . . ?
C59 C60 C61 C62 -178.4(4) . . . . ?
C47 C48 Si2' C49' 116.(1) . . . . ?
C47 C48 Si2' C52' -121.8(10) . . . . ?
C47 C48 Si2' C55' -1.1(12) . . . . ?
C48 Si2' C49' C51' 74.2(9) . . . . ?
C52' Si2' C49' C51' -45.1(10) . . . . ?
C55' Si2' C49' C51' -174.5(9) . . . . ?
C48 Si2' C49' C50' -52.2(9) . . . . ?
C52' Si2' C49' C50' -171.6(8) . . . . ?
C55' Si2' C49' C50' 59.1(9) . . . . ?
C48 Si2' C52' C53' -37.3(11) . . . . ?
C49' Si2' C52' C53' 81.1(11) . . . . ?
C55' Si2' C52' C53' -150.8(10) . . . . ?
C48 Si2' C52' C54' 86.9(10) . . . . ?
C49' Si2' C52' C54' -154.6(10) . . . . ?
C55' Si2' C52' C54' -26.6(11) . . . . ?
C48 Si2' C55' C56' 169.0(9) . . . . ?
C49' Si2' C55' C56' 55.0(11) . . . . ?
C52' Si2' C55' C56' -74.0(11) . . . . ?
Si2' C55' C56' C57' 165.1(9) . . . . ?
C55' C56' C57' C58' -63.1(18) . . . . ?
C56' C57' C58' C59' -177.2(12) . . . . ?
C57' C58' C59' C60' 165.8(15) . . . . ?
C58' C59' C60' C61' 175.6(14) . . . . ?
C59' C60' C61' C62' 177.5(14) . . . . ?

_refine_diff_density_max         0.384
_refine_diff_density_min         -0.350
_refine_diff_density_rms         0.042



