# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_compound1
_audit_block_doi                 10.5517/ccdc.csd.cc1zfw5g
_database_code_depnum_ccdc_archive 'CCDC 1830586'
_audit_update_record             
;
2018-03-18 deposited with the CCDC.
2018-08-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H98 Si10'

_chemical_formula_sum            'C48 H98 Si10'
_chemical_formula_weight         956.16

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

_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                   19.8244(4)
_cell_length_b                   12.3683(2)
_cell_length_c                   27.2326(5)
_cell_angle_alpha                90
_cell_angle_beta                 104.974(2)
_cell_angle_gamma                90
_cell_volume                     6450.5(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    103(2)
_cell_measurement_reflns_used    64186
_cell_measurement_theta_min      2.206
_cell_measurement_theta_max      27.997

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.985
_exptl_crystal_F_000             2104
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.230
_shelx_estimated_absorpt_T_min   0.966
_shelx_estimated_absorpt_T_max   0.982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.966
_exptl_absorpt_correction_T_max  0.982
_exptl_absorpt_process_details   
;
 MULABS - Empirical Correction for Absorption Anisotropy.
 Blessing, R. H., Acta Cryst., A51, 33-38 (1995).
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      103(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            64186
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.206
_diffrn_reflns_theta_max         27.997
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7700
_reflns_number_gt                6706
_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       CrystalClear
_computing_cell_refinement       HKL2000
_computing_data_reduction        HKL2000
_computing_structure_solution    SIR2004
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2011 (Wakita Nemoto et al., 2011)'
_computing_publication_material  
;Yadokari-XG 2011 (Wakita,Nemoto et al., 2011)
;
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0299P)²+16.3685P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difman
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7700
_refine_ls_number_parameters     277
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1240
_refine_ls_wR_factor_gt          0.1203
_refine_ls_goodness_of_fit_ref   1.239
_refine_ls_restrained_S_all      1.239
_refine_ls_shift/su_max          0.001
_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
Si1 Si 0.51799(3) 0.35113(6) 0.28982(2) 0.02598(15) Uani 1 1 d . . . . .
C1 C 0.47014(11) 0.34956(17) 0.34014(8) 0.0167(4) Uani 1 1 d . . . . .
C2 C 0.41696(11) 0.42512(16) 0.34170(8) 0.0169(4) Uani 1 1 d . . . . .
C3 C 0.38574(11) 0.41939(18) 0.38193(8) 0.0192(4) Uani 1 1 d . . . . .
H3 H 0.3504 0.4702 0.3833 0.023 Uiso 1 1 calc R U . . .
C4 C 0.40435(11) 0.34204(18) 0.42025(8) 0.0194(4) Uani 1 1 d . . . . .
C5 C 0.45709(11) 0.26950(17) 0.41824(8) 0.0188(4) Uani 1 1 d . . . . .
H5 H 0.4708 0.2168 0.4443 0.023 Uiso 1 1 calc R U . . .
C6 C 0.49053(11) 0.27185(16) 0.37901(8) 0.0167(4) Uani 1 1 d . . . . .
C7 C 0.39245(11) 0.50861(17) 0.30058(8) 0.0171(4) Uani 1 1 d . . . . .
H7 H 0.4226 0.4944 0.2770 0.021 Uiso 1 1 calc R U . . .
Si2 Si 0.41817(3) 0.64989(5) 0.32401(2) 0.02150(14) Uani 1 1 d . . . . .
Si3 Si 0.30196(3) 0.47659(5) 0.26025(2) 0.01927(13) Uani 1 1 d . . . . .
C8 C 0.51249(14) 0.6447(2) 0.35925(10) 0.0365(6) Uani 1 1 d . . . . .
H8 H 0.5398 0.6167 0.3368 0.055 Uiso 1 1 calc R U . . .
H8A H 0.5184 0.5971 0.3888 0.055 Uiso 1 1 calc R U . . .
H8B H 0.5287 0.7176 0.3706 0.055 Uiso 1 1 calc R U . . .
C9 C 0.36749(16) 0.7047(2) 0.36756(10) 0.0359(6) Uani 1 1 d . . . . .
H9 H 0.3787 0.6632 0.3993 0.054 Uiso 1 1 calc R U . . .
H9A H 0.3174 0.6988 0.3513 0.054 Uiso 1 1 calc R U . . .
H9B H 0.3798 0.7808 0.3750 0.054 Uiso 1 1 calc R U . . .
C10 C 0.40727(13) 0.74199(19) 0.26804(9) 0.0264(5) Uani 1 1 d . . . . .
H10 H 0.4273 0.8129 0.2795 0.040 Uiso 1 1 calc R U . . .
H10A H 0.3575 0.7501 0.2512 0.040 Uiso 1 1 calc R U . . .
H10B H 0.4313 0.7112 0.2440 0.040 Uiso 1 1 calc R U . . .
C11 C 0.29685(13) 0.3275(2) 0.24913(11) 0.0312(5) Uani 1 1 d . . . . .
H11 H 0.3003 0.2901 0.2814 0.047 Uiso 1 1 calc R U . . .
H11A H 0.3353 0.3047 0.2350 0.047 Uiso 1 1 calc R U . . .
H11B H 0.2522 0.3096 0.2251 0.047 Uiso 1 1 calc R U . . .
C12 C 0.23082(12) 0.5148(2) 0.29057(9) 0.0293(5) Uani 1 1 d . . . . .
H12 H 0.2307 0.5934 0.2951 0.044 Uiso 1 1 calc R U . . .
H12A H 0.2388 0.4794 0.3238 0.044 Uiso 1 1 calc R U . . .
H12B H 0.1857 0.4918 0.2688 0.044 Uiso 1 1 calc R U . . .
C13 C 0.28749(13) 0.5456(2) 0.19748(9) 0.0297(5) Uani 1 1 d . . . . .
H13 H 0.2453 0.5166 0.1740 0.045 Uiso 1 1 calc R U . . .
H13A H 0.3278 0.5331 0.1836 0.045 Uiso 1 1 calc R U . . .
H13B H 0.2818 0.6235 0.2019 0.045 Uiso 1 1 calc R U . . .
C14 C 0.54653(11) 0.18923(17) 0.37846(8) 0.0173(4) Uani 1 1 d . . . . .
H14 H 0.5597 0.2049 0.3461 0.021 Uiso 1 1 calc R U . . .
Si4 Si 0.62979(3) 0.21525(5) 0.42942(2) 0.02016(14) Uani 1 1 d . . . . .
Si5 Si 0.50949(3) 0.04725(5) 0.36872(2) 0.01951(13) Uani 1 1 d . . . . .
C15 C 0.61587(13) 0.2221(2) 0.49441(9) 0.0304(5) Uani 1 1 d . . . . .
H15 H 0.6610 0.2303 0.5195 0.046 Uiso 1 1 calc R U . . .
H15A H 0.5933 0.1554 0.5014 0.046 Uiso 1 1 calc R U . . .
H15B H 0.5860 0.2841 0.4966 0.046 Uiso 1 1 calc R U . . .
C16 C 0.66554(14) 0.3471(2) 0.41408(10) 0.0333(6) Uani 1 1 d . . . . .
H16 H 0.6302 0.4037 0.4117 0.050 Uiso 1 1 calc R U . . .
H16A H 0.6779 0.3411 0.3816 0.050 Uiso 1 1 calc R U . . .
H16B H 0.7073 0.3657 0.4410 0.050 Uiso 1 1 calc R U . . .
C17 C 0.69560(13) 0.1075(2) 0.42881(10) 0.0325(6) Uani 1 1 d . . . . .
H17 H 0.7396 0.1253 0.4536 0.049 Uiso 1 1 calc R U . . .
H17A H 0.7034 0.1027 0.3948 0.049 Uiso 1 1 calc R U . . .
H17B H 0.6783 0.0379 0.4378 0.049 Uiso 1 1 calc R U . . .
C18 C 0.50683(16) -0.0207(2) 0.42932(10) 0.0347(6) Uani 1 1 d . . . . .
H18 H 0.4882 -0.0940 0.4220 0.052 Uiso 1 1 calc R U . . .
H18A H 0.4767 0.0206 0.4459 0.052 Uiso 1 1 calc R U . . .
H18B H 0.5541 -0.0243 0.4518 0.052 Uiso 1 1 calc R U . . .
C19 C 0.41893(13) 0.0561(2) 0.32711(11) 0.0355(6) Uani 1 1 d . . . . .
H19 H 0.4199 0.0894 0.2947 0.053 Uiso 1 1 calc R U . . .
H19A H 0.3903 0.1001 0.3438 0.053 Uiso 1 1 calc R U . . .
H19B H 0.3990 -0.0167 0.3210 0.053 Uiso 1 1 calc R U . . .
C20 C 0.56364(14) -0.0343(2) 0.33571(11) 0.0358(6) Uani 1 1 d . . . . .
H20 H 0.6103 -0.0447 0.3585 0.054 Uiso 1 1 calc R U . . .
H20A H 0.5675 0.0037 0.3050 0.054 Uiso 1 1 calc R U . . .
H20B H 0.5416 -0.1049 0.3263 0.054 Uiso 1 1 calc R U . . .
C21 C 0.36599(13) 0.3393(2) 0.46254(9) 0.0261(5) Uani 1 1 d . . . . .
C22 C 0.39267(15) 0.2489(2) 0.50072(10) 0.0352(6) Uani 1 1 d . . . . .
H22 H 0.3847 0.1790 0.4833 0.053 Uiso 1 1 calc R U . . .
H22A H 0.3676 0.2510 0.5274 0.053 Uiso 1 1 calc R U . . .
H22B H 0.4428 0.2588 0.5160 0.053 Uiso 1 1 calc R U . . .
C23 C 0.37733(16) 0.4478(2) 0.49104(10) 0.0380(6) Uani 1 1 d . . . . .
H23 H 0.4274 0.4591 0.5059 0.057 Uiso 1 1 calc R U . . .
H23A H 0.3530 0.4468 0.5181 0.057 Uiso 1 1 calc R U . . .
H23B H 0.3588 0.5066 0.4673 0.057 Uiso 1 1 calc R U . . .
C24 C 0.28812(14) 0.3217(2) 0.43874(11) 0.0376(6) Uani 1 1 d . . . . .
H24 H 0.2699 0.3807 0.4150 0.056 Uiso 1 1 calc R U . . .
H24A H 0.2633 0.3206 0.4655 0.056 Uiso 1 1 calc R U . . .
H24B H 0.2812 0.2527 0.4205 0.056 Uiso 1 1 calc R U . . .


_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 C1 1.858(2) . ?
Si1 Si1 2.1006(13) 2_655 ?
C1 C6 1.409(3) . ?
C1 C2 1.418(3) . ?
C2 C3 1.392(3) . ?
C2 C7 1.508(3) . ?
C3 C4 1.393(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(3) . ?
C4 C21 1.536(3) . ?
C5 C6 1.396(3) . ?
C5 H5 0.9500 . ?
C6 C14 1.512(3) . ?
C7 Si2 1.885(2) . ?
C7 Si3 1.888(2) . ?
C7 H7 1.0000 . ?
Si2 C9 1.868(3) . ?
Si2 C8 1.869(3) . ?
Si2 C10 1.870(2) . ?
Si3 C13 1.865(2) . ?
Si3 C11 1.867(3) . ?
Si3 C12 1.870(2) . ?
C8 H8 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C9 H9 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C10 H10 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C11 H11 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C12 H12 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C13 H13 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C14 Si4 1.890(2) . ?
C14 Si5 1.895(2) . ?
C14 H14 1.0000 . ?
Si4 C15 1.862(2) . ?
Si4 C16 1.868(3) . ?
Si4 C17 1.868(3) . ?
Si5 C19 1.862(3) . ?
Si5 C18 1.865(3) . ?
Si5 C20 1.865(3) . ?
C15 H15 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C16 H16 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C17 H17 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C18 H18 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C19 H19 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C20 H20 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C21 C22 1.525(3) . ?
C21 C24 1.527(4) . ?
C21 C23 1.537(4) . ?
C22 H22 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C23 H23 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C24 H24 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 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
C1 Si1 Si1 131.28(8) . 2_655 ?
C6 C1 C2 119.89(18) . . ?
C6 C1 Si1 117.33(15) . . ?
C2 C1 Si1 122.73(15) . . ?
C3 C2 C1 118.37(19) . . ?
C3 C2 C7 119.71(18) . . ?
C1 C2 C7 121.90(18) . . ?
C2 C3 C4 122.6(2) . . ?
C2 C3 H3 118.7 . . ?
C4 C3 H3 118.7 . . ?
C5 C4 C3 118.05(19) . . ?
C5 C4 C21 122.61(19) . . ?
C3 C4 C21 119.34(19) . . ?
C4 C5 C6 121.86(19) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C1 119.23(19) . . ?
C5 C6 C14 119.26(18) . . ?
C1 C6 C14 121.49(18) . . ?
C2 C7 Si2 112.09(14) . . ?
C2 C7 Si3 111.33(14) . . ?
Si2 C7 Si3 121.65(11) . . ?
C2 C7 H7 103.0 . . ?
Si2 C7 H7 103.0 . . ?
Si3 C7 H7 103.0 . . ?
C9 Si2 C8 108.50(14) . . ?
C9 Si2 C10 109.19(12) . . ?
C8 Si2 C10 109.20(12) . . ?
C9 Si2 C7 114.11(11) . . ?
C8 Si2 C7 106.80(11) . . ?
C10 Si2 C7 108.94(10) . . ?
C13 Si3 C11 108.33(12) . . ?
C13 Si3 C12 109.51(12) . . ?
C11 Si3 C12 107.82(12) . . ?
C13 Si3 C7 109.57(11) . . ?
C11 Si3 C7 107.76(11) . . ?
C12 Si3 C7 113.69(10) . . ?
Si2 C8 H8 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
H8 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C9 H9 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
H9 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
H9 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si2 C10 H10 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
H10 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si3 C11 H11 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
H11 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
H11 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si3 C12 H12 109.5 . . ?
Si3 C12 H12A 109.5 . . ?
H12 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
H12 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si3 C13 H13 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
H13 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C6 C14 Si4 112.45(14) . . ?
C6 C14 Si5 111.63(14) . . ?
Si4 C14 Si5 119.60(11) . . ?
C6 C14 H14 103.7 . . ?
Si4 C14 H14 103.7 . . ?
Si5 C14 H14 103.7 . . ?
C15 Si4 C16 109.33(12) . . ?
C15 Si4 C17 108.43(12) . . ?
C16 Si4 C17 108.35(13) . . ?
C15 Si4 C14 112.95(11) . . ?
C16 Si4 C14 107.12(11) . . ?
C17 Si4 C14 110.57(11) . . ?
C19 Si5 C18 108.77(14) . . ?
C19 Si5 C20 108.84(13) . . ?
C18 Si5 C20 109.53(13) . . ?
C19 Si5 C14 107.98(11) . . ?
C18 Si5 C14 113.09(11) . . ?
C20 Si5 C14 108.56(11) . . ?
Si4 C15 H15 109.5 . . ?
Si4 C15 H15A 109.5 . . ?
H15 C15 H15A 109.5 . . ?
Si4 C15 H15B 109.5 . . ?
H15 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si4 C16 H16 109.5 . . ?
Si4 C16 H16A 109.5 . . ?
H16 C16 H16A 109.5 . . ?
Si4 C16 H16B 109.5 . . ?
H16 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si4 C17 H17 109.5 . . ?
Si4 C17 H17A 109.5 . . ?
H17 C17 H17A 109.5 . . ?
Si4 C17 H17B 109.5 . . ?
H17 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si5 C18 H18 109.5 . . ?
Si5 C18 H18A 109.5 . . ?
H18 C18 H18A 109.5 . . ?
Si5 C18 H18B 109.5 . . ?
H18 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si5 C19 H19 109.5 . . ?
Si5 C19 H19A 109.5 . . ?
H19 C19 H19A 109.5 . . ?
Si5 C19 H19B 109.5 . . ?
H19 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si5 C20 H20 109.5 . . ?
Si5 C20 H20A 109.5 . . ?
H20 C20 H20A 109.5 . . ?
Si5 C20 H20B 109.5 . . ?
H20 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C22 C21 C24 108.6(2) . . ?
C22 C21 C4 112.05(19) . . ?
C24 C21 C4 109.1(2) . . ?
C22 C21 C23 108.4(2) . . ?
C24 C21 C23 109.8(2) . . ?
C4 C21 C23 108.9(2) . . ?
C21 C22 H22 109.5 . . ?
C21 C22 H22A 109.5 . . ?
H22 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C23 H23 109.5 . . ?
C21 C23 H23A 109.5 . . ?
H23 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C24 H24 109.5 . . ?
C21 C24 H24A 109.5 . . ?
H24 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24 C24 H24B 109.5 . . ?
H24A C24 H24B 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
Si1 Si1 C1 C6 129.81(14) 2_655 . . . ?
Si1 Si1 C1 C2 -52.8(2) 2_655 . . . ?
C6 C1 C2 C3 -0.6(3) . . . . ?
Si1 C1 C2 C3 -177.94(16) . . . . ?
C6 C1 C2 C7 -178.94(19) . . . . ?
Si1 C1 C2 C7 3.7(3) . . . . ?
C1 C2 C3 C4 -0.5(3) . . . . ?
C7 C2 C3 C4 177.9(2) . . . . ?
C2 C3 C4 C5 1.2(3) . . . . ?
C2 C3 C4 C21 -178.4(2) . . . . ?
C3 C4 C5 C6 -0.7(3) . . . . ?
C21 C4 C5 C6 178.8(2) . . . . ?
C4 C5 C6 C1 -0.3(3) . . . . ?
C4 C5 C6 C14 -178.8(2) . . . . ?
C2 C1 C6 C5 1.0(3) . . . . ?
Si1 C1 C6 C5 178.48(16) . . . . ?
C2 C1 C6 C14 179.41(19) . . . . ?
Si1 C1 C6 C14 -3.1(3) . . . . ?
C3 C2 C7 Si2 70.4(2) . . . . ?
C1 C2 C7 Si2 -111.2(2) . . . . ?
C3 C2 C7 Si3 -69.6(2) . . . . ?
C1 C2 C7 Si3 108.8(2) . . . . ?
C2 C7 Si2 C9 -72.54(18) . . . . ?
Si3 C7 Si2 C9 62.81(17) . . . . ?
C2 C7 Si2 C8 47.34(18) . . . . ?
Si3 C7 Si2 C8 -177.30(14) . . . . ?
C2 C7 Si2 C10 165.17(15) . . . . ?
Si3 C7 Si2 C10 -59.47(16) . . . . ?
C2 C7 Si3 C13 -158.32(15) . . . . ?
Si2 C7 Si3 C13 66.03(16) . . . . ?
C2 C7 Si3 C11 -40.65(18) . . . . ?
Si2 C7 Si3 C11 -176.30(13) . . . . ?
C2 C7 Si3 C12 78.79(17) . . . . ?
Si2 C7 Si3 C12 -56.86(16) . . . . ?
C5 C6 C14 Si4 -72.1(2) . . . . ?
C1 C6 C14 Si4 109.5(2) . . . . ?
C5 C6 C14 Si5 65.5(2) . . . . ?
C1 C6 C14 Si5 -112.91(19) . . . . ?
C6 C14 Si4 C15 55.79(18) . . . . ?
Si5 C14 Si4 C15 -78.12(15) . . . . ?
C6 C14 Si4 C16 -64.64(18) . . . . ?
Si5 C14 Si4 C16 161.45(13) . . . . ?
C6 C14 Si4 C17 177.49(16) . . . . ?
Si5 C14 Si4 C17 43.59(16) . . . . ?
C6 C14 Si5 C19 32.91(18) . . . . ?
Si4 C14 Si5 C19 167.16(13) . . . . ?
C6 C14 Si5 C18 -87.48(17) . . . . ?
Si4 C14 Si5 C18 46.76(16) . . . . ?
C6 C14 Si5 C20 150.76(16) . . . . ?
Si4 C14 Si5 C20 -75.00(16) . . . . ?
C5 C4 C21 C22 -0.1(3) . . . . ?
C3 C4 C21 C22 179.4(2) . . . . ?
C5 C4 C21 C24 -120.4(2) . . . . ?
C3 C4 C21 C24 59.1(3) . . . . ?
C5 C4 C21 C23 119.8(2) . . . . ?
C3 C4 C21 C23 -60.7(3) . . . . ?

_refine_diff_density_max         0.643
_refine_diff_density_min         -0.332
_refine_diff_density_rms         0.060

####################################################################### 
# 
# 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_compound3
_audit_block_doi                 10.5517/ccdc.csd.cc1zfw6h
_database_code_depnum_ccdc_archive 'CCDC 1830587'
_audit_update_record             
;
2018-03-18 deposited with the CCDC.
2018-08-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H102 Si10, C6 H6'
_chemical_formula_sum            'C58 H108 Si10'
_chemical_formula_weight         1086.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0009 0.0002 '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 0.0099 0.0118 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           52
_space_group_name_H-M_alt        'P n n a'
_space_group_name_Hall           '-P 2a 2bc'

_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+1/2, -y, z'
'x, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'-x, y-1/2, z-1/2'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.1857(3)
_cell_length_b                   30.4174(5)
_cell_length_c                   12.6976(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7023.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    90
_cell_measurement_reflns_used    302093
_cell_measurement_theta_min      0.950
_cell_measurement_theta_max      44.440

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.027
_exptl_crystal_F_000             2384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    0.035
_shelx_estimated_absorpt_T_min   0.986
_shelx_estimated_absorpt_T_max   0.993
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5094
_exptl_absorpt_correction_T_max  0.9930
_exptl_absorpt_process_details   
;
 PROCESS-AUTO (1998).
 Automatic Data Acquisition and Processing Package
 for 2D image data. Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      90
_diffrn_radiation_wavelength     0.30241
_diffrn_radiation_type           synchrotron
_diffrn_radiation_monochromator  Si(111)
_diffrn_source                   'SPring-8 BL02B1 beamline'
_diffrn_measurement_device_type  'Large cylindrical IP camera'
_diffrn_measurement_method       ω-scan
_diffrn_detector_area_resol_mean 10
_diffrn_reflns_number            50877
_diffrn_reflns_av_unetI/netI     0.0120
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         0.953
_diffrn_reflns_theta_max         11.325
_diffrn_reflns_theta_full        10.454
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             7977
_reflns_number_gt                7561
_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       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_structure_solution    SIR2004
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    SHELXLE
_computing_publication_material  'SHELXL-2018/1 (Sheldrick, 2018)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0541P)²+3.0694P] 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         7977
_refine_ls_number_parameters     351
_refine_ls_number_restraints     136
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0973
_refine_ls_wR_factor_gt          0.0957
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.001
_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
Si1 Si 0.34978(2) 0.21460(2) 0.23054(2) 0.01575(8) Uani 1 1 d . . . . .
Si2 Si 0.58981(2) 0.18385(2) 0.07995(4) 0.02018(9) Uani 0.9782(9) 1 d D . P A
-1
Si3 Si 0.44108(2) 0.16228(2) -0.04834(3) 0.01957(10) Uani 0.9782(9) 1 d D . P A
-1
C9 C 0.48506(6) 0.17892(4) 0.08142(9) 0.0151(3) Uani 0.9782(9) 1 d D . P A -1
H9 H 0.465971 0.208998 0.097650 0.018 Uiso 0.9782(9) 1 calc R U P A -1
C10 C 0.61763(9) 0.23860(4) 0.02582(11) 0.0270(3) Uani 0.9782(9) 1 d D . P A -1
H10A H 0.597711 0.261997 0.070564 0.040 Uiso 0.9782(9) 1 calc R U P A -1
H10B H 0.598356 0.241825 -0.045835 0.040 Uiso 0.9782(9) 1 calc R U P A -1
H10C H 0.671403 0.240655 0.024392 0.040 Uiso 0.9782(9) 1 calc R U P A -1
C11 C 0.63598(7) 0.14060(5) -0.00254(13) 0.0331(3) Uani 0.9782(9) 1 d D . P A
-1
H11A H 0.615766 0.141309 -0.074063 0.050 Uiso 0.9782(9) 1 calc R U P A -1
H11B H 0.627274 0.111580 0.028608 0.050 Uiso 0.9782(9) 1 calc R U P A -1
H11C H 0.688972 0.146344 -0.005171 0.050 Uiso 0.9782(9) 1 calc R U P A -1
C12 C 0.62508(9) 0.17984(6) 0.21771(12) 0.0402(4) Uani 0.9782(9) 1 d D . P A -1
H12A H 0.676247 0.189904 0.219980 0.060 Uiso 0.9782(9) 1 calc R U P A -1
H12B H 0.622505 0.149214 0.241399 0.060 Uiso 0.9782(9) 1 calc R U P A -1
H12C H 0.595005 0.198288 0.264052 0.060 Uiso 0.9782(9) 1 calc R U P A -1
C13 C 0.48124(9) 0.19434(5) -0.16057(12) 0.0292(3) Uani 0.9782(9) 1 d D . P A
-1
H13A H 0.455526 0.186678 -0.225863 0.044 Uiso 0.9782(9) 1 calc R U P A -1
H13B H 0.533573 0.187237 -0.167655 0.044 Uiso 0.9782(9) 1 calc R U P A -1
H13C H 0.475626 0.225869 -0.146857 0.044 Uiso 0.9782(9) 1 calc R U P A -1
C14 C 0.34000(7) 0.17356(6) -0.04194(12) 0.0358(3) Uani 0.9782(9) 1 d D . P A
-1
H14A H 0.316305 0.162602 -0.106093 0.054 Uiso 0.9782(9) 1 calc R U P A -1
H14B H 0.331807 0.205305 -0.035898 0.054 Uiso 0.9782(9) 1 calc R U P A -1
H14C H 0.318960 0.158683 0.019534 0.054 Uiso 0.9782(9) 1 calc R U P A -1
C15 C 0.45204(9) 0.10225(4) -0.07774(11) 0.0326(3) Uani 0.9782(9) 1 d D . P A
-1
H15A H 0.428965 0.084936 -0.021674 0.049 Uiso 0.9782(9) 1 calc R U P A -1
H15B H 0.504469 0.094994 -0.081760 0.049 Uiso 0.9782(9) 1 calc R U P A -1
H15C H 0.428421 0.095443 -0.145167 0.049 Uiso 0.9782(9) 1 calc R U P A -1
Si2B Si 0.5883(9) 0.1925(6) 0.1233(16) 0.02018(9) Uani 0.0218(9) 1 d D . P A -2
Si3B Si 0.4804(10) 0.1566(5) -0.0605(12) 0.01957(10) Uani 0.0218(9) 1 d D . P A
-2
C9B C 0.498(4) 0.173(2) 0.0818(11) 0.0151(3) Uani 0.0218(9) 1 d D . P A -2
H9B H 0.470937 0.201936 0.083207 0.018 Uiso 0.0218(9) 1 calc R U P A -2
C10B C 0.616(4) 0.2437(11) 0.052(4) 0.0270(3) Uani 0.0218(9) 1 d D . P A -2
H10D H 0.658431 0.257132 0.088508 0.040 Uiso 0.0218(9) 1 calc R U P A -2
H10E H 0.575286 0.264461 0.051144 0.040 Uiso 0.0218(9) 1 calc R U P A -2
H10F H 0.630543 0.236345 -0.020165 0.040 Uiso 0.0218(9) 1 calc R U P A -2
C11B C 0.655(3) 0.1478(13) 0.087(4) 0.0331(3) Uani 0.0218(9) 1 d D . P A -2
H11D H 0.641279 0.135548 0.018562 0.050 Uiso 0.0218(9) 1 calc R U P A -2
H11E H 0.652964 0.124576 0.140684 0.050 Uiso 0.0218(9) 1 calc R U P A -2
H11F H 0.704513 0.159990 0.083788 0.050 Uiso 0.0218(9) 1 calc R U P A -2
C12B C 0.596(3) 0.2029(19) 0.2680(19) 0.0402(4) Uani 0.0218(9) 1 d D . P A -2
H12D H 0.571206 0.179416 0.306770 0.060 Uiso 0.0218(9) 1 calc R U P A -2
H12E H 0.573717 0.231222 0.285088 0.060 Uiso 0.0218(9) 1 calc R U P A -2
H12F H 0.648405 0.203425 0.288009 0.060 Uiso 0.0218(9) 1 calc R U P A -2
C13B C 0.468(3) 0.2032(15) -0.155(5) 0.0292(3) Uani 0.0218(9) 1 d D . P A -2
H13D H 0.467460 0.191768 -0.227501 0.044 Uiso 0.0218(9) 1 calc R U P A -2
H13E H 0.508826 0.224036 -0.147503 0.044 Uiso 0.0218(9) 1 calc R U P A -2
H13F H 0.421497 0.218213 -0.140678 0.044 Uiso 0.0218(9) 1 calc R U P A -2
C14B C 0.5626(17) 0.1241(15) -0.104(4) 0.0358(3) Uani 0.0218(9) 1 d D . P A -2
H14D H 0.546445 0.098623 -0.144941 0.054 Uiso 0.0218(9) 1 calc R U P A -2
H14E H 0.589846 0.113963 -0.041644 0.054 Uiso 0.0218(9) 1 calc R U P A -2
H14F H 0.594601 0.142649 -0.147076 0.054 Uiso 0.0218(9) 1 calc R U P A -2
C15B C 0.3978(18) 0.1200(14) -0.071(5) 0.0326(3) Uani 0.0218(9) 1 d D . P A -2
H15D H 0.377814 0.121553 -0.142346 0.049 Uiso 0.0218(9) 1 calc R U P A -2
H15E H 0.360289 0.129773 -0.020416 0.049 Uiso 0.0218(9) 1 calc R U P A -2
H15F H 0.411982 0.089689 -0.054806 0.049 Uiso 0.0218(9) 1 calc R U P A -2
Si4 Si 0.38047(2) 0.15464(2) 0.54102(3) 0.02141(9) Uani 1 1 d . . . . .
Si5 Si 0.24797(2) 0.10467(2) 0.41901(3) 0.02648(9) Uani 1 1 d . . . . .
C1 C 0.25299(6) 0.20098(4) 0.22573(10) 0.0214(2) Uani 1 1 d . . . . .
H1 H 0.242527 0.170846 0.213036 0.026 Uiso 1 1 calc R U . . .
C2 C 0.19227(6) 0.22737(4) 0.23754(10) 0.0241(2) Uani 1 1 d . . . . .
H2 H 0.145653 0.213842 0.228020 0.029 Uiso 1 1 calc R U . . .
C3 C 0.40507(6) 0.16271(3) 0.24501(9) 0.0149(2) Uani 1 1 d . . . . .
C4 C 0.45838(6) 0.14944(3) 0.17017(9) 0.0155(2) Uani 1 1 d D . . . .
C5 C 0.48856(6) 0.10698(4) 0.17632(9) 0.0183(2) Uani 1 1 d . . . . .
H5 H 0.523553 0.098281 0.124824 0.022 Uiso 1 1 calc R U . . .
C6 C 0.46935(6) 0.07721(4) 0.25459(9) 0.0185(2) Uani 1 1 d . . . . .
C7 C 0.41799(6) 0.09102(4) 0.32934(9) 0.0188(2) Uani 1 1 d . . . . .
H7 H 0.404866 0.071388 0.384404 0.023 Uiso 1 1 calc R U . . .
C8 C 0.38502(6) 0.13260(3) 0.32650(9) 0.0161(2) Uani 1 1 d . . . . .
C16 C 0.50411(7) 0.03130(4) 0.26218(11) 0.0247(3) Uani 1 1 d . . . . .
C17 C 0.55598(10) 0.03059(5) 0.35742(15) 0.0463(4) Uani 1 1 d . . . . .
H17A H 0.594242 0.052951 0.348268 0.069 Uiso 1 1 calc R U . . .
H17B H 0.578882 0.001524 0.363231 0.069 Uiso 1 1 calc R U . . .
H17C H 0.527957 0.036834 0.421627 0.069 Uiso 1 1 calc R U . . .
C18 C 0.54835(9) 0.01965(5) 0.16332(14) 0.0387(3) Uani 1 1 d . . . . .
H18A H 0.516195 0.021021 0.101473 0.058 Uiso 1 1 calc R U . . .
H18B H 0.568297 -0.010136 0.170360 0.058 Uiso 1 1 calc R U . . .
H18C H 0.588844 0.040614 0.154909 0.058 Uiso 1 1 calc R U . . .
C19 C 0.44417(9) -0.00357(4) 0.27647(16) 0.0426(4) Uani 1 1 d . . . . .
H19A H 0.418012 0.001722 0.342746 0.064 Uiso 1 1 calc R U . . .
H19B H 0.466729 -0.032824 0.278188 0.064 Uiso 1 1 calc R U . . .
H19C H 0.409412 -0.001929 0.217621 0.064 Uiso 1 1 calc R U . . .
C20 C 0.33030(6) 0.14319(4) 0.41326(9) 0.0179(2) Uani 1 1 d . . . . .
H20 H 0.309019 0.172235 0.392501 0.021 Uiso 1 1 calc R U . . .
C21 C 0.45545(8) 0.19459(5) 0.51122(12) 0.0341(3) Uani 1 1 d . . . . .
H21A H 0.434007 0.222084 0.485243 0.051 Uiso 1 1 calc R U . . .
H21B H 0.488021 0.182214 0.457344 0.051 Uiso 1 1 calc R U . . .
H21C H 0.483723 0.200450 0.575405 0.051 Uiso 1 1 calc R U . . .
C22 C 0.42633(9) 0.10582(5) 0.60323(12) 0.0345(3) Uani 1 1 d . . . . .
H22A H 0.458368 0.091509 0.551494 0.052 Uiso 1 1 calc R U . . .
H22B H 0.388815 0.084941 0.627085 0.052 Uiso 1 1 calc R U . . .
H22C H 0.455744 0.115514 0.663583 0.052 Uiso 1 1 calc R U . . .
C23 C 0.31287(9) 0.17942(6) 0.63484(12) 0.0398(4) Uani 1 1 d . . . . .
H23A H 0.339063 0.191172 0.696139 0.060 Uiso 1 1 calc R U . . .
H23B H 0.277973 0.156833 0.657890 0.060 Uiso 1 1 calc R U . . .
H23C H 0.286157 0.203236 0.599661 0.060 Uiso 1 1 calc R U . . .
C24 C 0.23473(9) 0.07585(5) 0.29006(14) 0.0405(4) Uani 1 1 d . . . . .
H24A H 0.189452 0.058408 0.292537 0.061 Uiso 1 1 calc R U . . .
H24B H 0.276692 0.056419 0.276712 0.061 Uiso 1 1 calc R U . . .
H24C H 0.231112 0.097640 0.233440 0.061 Uiso 1 1 calc R U . . .
C25 C 0.16344(8) 0.13726(5) 0.45159(14) 0.0369(3) Uani 1 1 d . . . . .
H25A H 0.156487 0.160344 0.398688 0.055 Uiso 1 1 calc R U . . .
H25B H 0.169120 0.150699 0.521259 0.055 Uiso 1 1 calc R U . . .
H25C H 0.120550 0.117754 0.451852 0.055 Uiso 1 1 calc R U . . .
C26 C 0.25716(9) 0.06113(5) 0.52338(16) 0.0446(4) Uani 1 1 d . . . . .
H26A H 0.214431 0.041537 0.520709 0.067 Uiso 1 1 calc R U . . .
H26B H 0.259787 0.075094 0.592841 0.067 Uiso 1 1 calc R U . . .
H26C H 0.302064 0.044087 0.510980 0.067 Uiso 1 1 calc R U . . .
C31 C 0.250000 0.000000 0.8034(2) 0.0499(6) Uani 1 2 d S T P . .
H31 H 0.249998 0.000001 0.728567 0.060 Uiso 1 2 calc R U P . .
C32 C 0.26241(9) 0.03849(6) 0.85833(18) 0.0500(4) Uani 1 1 d . . . . .
H32 H 0.270955 0.065073 0.821011 0.060 Uiso 1 1 calc R U . . .
C33 C 0.26248(10) 0.03862(6) 0.96663(18) 0.0532(5) Uani 1 1 d . . . . .
H33 H 0.271089 0.065188 1.003959 0.064 Uiso 1 1 calc R U . . .
C34 C 0.250000 0.000000 1.0210(3) 0.0561(7) Uani 1 2 d S T P . .
H34 H 0.250001 0.000001 1.095771 0.067 Uiso 1 2 calc R U P . .


_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 C1 1.8094(12) . ?
Si1 C3 1.8805(11) . ?
Si1 Si1 2.2094(6) 3 ?
Si2 C12 1.8671(15) . ?
Si2 C10 1.8713(13) . ?
Si2 C11 1.8798(14) . ?
Si2 C9 1.9109(12) . ?
Si3 C14 1.8718(14) . ?
Si3 C15 1.8742(14) . ?
Si3 C13 1.8750(14) . ?
Si3 C9 1.9002(12) . ?
C9 C4 1.5196(15) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
Si2B C9B 1.82(5) . ?
Si2B C12B 1.870(8) . ?
Si2B C10B 1.873(8) . ?
Si2B C11B 1.874(8) . ?
Si3B C13B 1.874(8) . ?
Si3B C15B 1.874(8) . ?
Si3B C14B 1.875(8) . ?
Si3B C9B 1.906(9) . ?
C9B C4 1.522(10) . ?
C9B H9B 1.0000 . ?
C10B H10D 0.9800 . ?
C10B H10E 0.9800 . ?
C10B H10F 0.9800 . ?
C11B H11D 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 0.9800 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C13B H13D 0.9800 . ?
C13B H13E 0.9800 . ?
C13B H13F 0.9800 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
Si4 C21 1.8651(14) . ?
Si4 C23 1.8705(15) . ?
Si4 C22 1.8775(14) . ?
Si4 C20 1.8936(12) . ?
Si5 C24 1.8729(17) . ?
Si5 C25 1.8752(15) . ?
Si5 C26 1.8811(16) . ?
Si5 C20 1.9024(12) . ?
C1 C2 1.3733(17) . ?
C1 H1 0.9500 . ?
C2 C2 1.413(3) 3 ?
C2 H2 0.9500 . ?
C3 C4 1.4163(15) . ?
C3 C8 1.4292(15) . ?
C4 C5 1.4055(15) . ?
C5 C6 1.3891(16) . ?
C5 H5 0.9500 . ?
C6 C7 1.3964(16) . ?
C6 C16 1.5360(15) . ?
C7 C8 1.3999(15) . ?
C7 H7 0.9500 . ?
C8 C20 1.5192(15) . ?
C16 C19 1.5317(18) . ?
C16 C18 1.532(2) . ?
C16 C17 1.534(2) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C31 C32 1.381(3) 2 ?
C31 C32 1.381(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.375(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.381(3) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?

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
C1 Si1 C3 109.35(5) . . ?
C1 Si1 Si1 103.34(4) . 3 ?
C3 Si1 Si1 142.78(3) . 3 ?
C12 Si2 C10 108.02(7) . . ?
C12 Si2 C11 108.83(8) . . ?
C10 Si2 C11 107.31(7) . . ?
C12 Si2 C9 109.16(6) . . ?
C10 Si2 C9 110.06(6) . . ?
C11 Si2 C9 113.31(6) . . ?
C14 Si3 C15 106.96(7) . . ?
C14 Si3 C13 108.68(7) . . ?
C15 Si3 C13 108.29(7) . . ?
C14 Si3 C9 109.08(6) . . ?
C15 Si3 C9 112.80(6) . . ?
C13 Si3 C9 110.89(6) . . ?
C4 C9 Si3 110.57(7) . . ?
C4 C9 Si2 111.83(8) . . ?
Si3 C9 Si2 115.60(6) . . ?
C4 C9 H9 106.0 . . ?
Si3 C9 H9 106.0 . . ?
Si2 C9 H9 106.0 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C9B Si2B C12B 114(2) . . ?
C9B Si2B C10B 112(3) . . ?
C12B Si2B C10B 108.1(6) . . ?
C9B Si2B C11B 106(3) . . ?
C12B Si2B C11B 108.2(6) . . ?
C10B Si2B C11B 108.0(6) . . ?
C13B Si3B C15B 108.0(6) . . ?
C13B Si3B C14B 107.9(6) . . ?
C15B Si3B C14B 107.8(6) . . ?
C13B Si3B C9B 115(3) . . ?
C15B Si3B C9B 111(2) . . ?
C14B Si3B C9B 106(4) . . ?
C4 C9B Si2B 112(3) . . ?
C4 C9B Si3B 119.3(13) . . ?
Si2B C9B Si3B 121(3) . . ?
C4 C9B H9B 99.5 . . ?
Si2B C9B H9B 99.5 . . ?
Si3B C9B H9B 99.5 . . ?
Si2B C10B H10D 109.5 . . ?
Si2B C10B H10E 109.5 . . ?
H10D C10B H10E 109.5 . . ?
Si2B C10B H10F 109.5 . . ?
H10D C10B H10F 109.5 . . ?
H10E C10B H10F 109.5 . . ?
Si2B C11B H11D 109.5 . . ?
Si2B C11B H11E 109.5 . . ?
H11D C11B H11E 109.5 . . ?
Si2B C11B H11F 109.5 . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?
Si2B C12B H12D 109.5 . . ?
Si2B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
Si2B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
Si3B C13B H13D 109.5 . . ?
Si3B C13B H13E 109.5 . . ?
H13D C13B H13E 109.5 . . ?
Si3B C13B H13F 109.5 . . ?
H13D C13B H13F 109.5 . . ?
H13E C13B H13F 109.5 . . ?
Si3B C14B H14D 109.5 . . ?
Si3B C14B H14E 109.5 . . ?
H14D C14B H14E 109.5 . . ?
Si3B C14B H14F 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
Si3B C15B H15D 109.5 . . ?
Si3B C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
Si3B C15B H15F 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
C21 Si4 C23 110.32(8) . . ?
C21 Si4 C22 106.02(7) . . ?
C23 Si4 C22 110.04(7) . . ?
C21 Si4 C20 107.36(6) . . ?
C23 Si4 C20 107.64(6) . . ?
C22 Si4 C20 115.40(6) . . ?
C24 Si5 C25 109.57(8) . . ?
C24 Si5 C26 107.33(8) . . ?
C25 Si5 C26 106.83(7) . . ?
C24 Si5 C20 110.85(6) . . ?
C25 Si5 C20 109.16(6) . . ?
C26 Si5 C20 112.99(7) . . ?
C2 C1 Si1 130.15(9) . . ?
C2 C1 H1 114.9 . . ?
Si1 C1 H1 114.9 . . ?
C1 C2 C2 126.44(7) . 3 ?
C1 C2 H2 116.8 . . ?
C2 C2 H2 116.8 3 . ?
C4 C3 C8 118.54(10) . . ?
C4 C3 Si1 122.66(8) . . ?
C8 C3 Si1 118.18(8) . . ?
C5 C4 C3 119.47(10) . . ?
C5 C4 C9 117.31(10) . . ?
C3 C4 C9 123.23(10) . . ?
C5 C4 C9B 107(4) . . ?
C3 C4 C9B 133(4) . . ?
C6 C5 C4 122.72(10) . . ?
C6 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
C5 C6 C7 117.28(10) . . ?
C5 C6 C16 122.28(10) . . ?
C7 C6 C16 120.41(10) . . ?
C6 C7 C8 122.73(10) . . ?
C6 C7 H7 118.6 . . ?
C8 C7 H7 118.6 . . ?
C7 C8 C3 119.23(10) . . ?
C7 C8 C20 116.96(10) . . ?
C3 C8 C20 123.80(10) . . ?
C19 C16 C18 108.09(12) . . ?
C19 C16 C17 109.54(13) . . ?
C18 C16 C17 108.65(12) . . ?
C19 C16 C6 110.13(10) . . ?
C18 C16 C6 112.01(11) . . ?
C17 C16 C6 108.38(11) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C8 C20 Si4 110.16(8) . . ?
C8 C20 Si5 114.38(8) . . ?
Si4 C20 Si5 117.37(6) . . ?
C8 C20 H20 104.5 . . ?
Si4 C20 H20 104.5 . . ?
Si5 C20 H20 104.5 . . ?
Si4 C21 H21A 109.5 . . ?
Si4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si5 C24 H24A 109.5 . . ?
Si5 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si5 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si5 C25 H25A 109.5 . . ?
Si5 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si5 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si5 C26 H26A 109.5 . . ?
Si5 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si5 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C32 C31 C32 119.3(3) 2 . ?
C32 C31 H31 120.3 2 . ?
C32 C31 H31 120.3 . . ?
C33 C32 C31 120.50(19) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C32 C33 C34 119.8(2) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C33 C34 C33 120.1(3) . 2 ?
C33 C34 H34 120.0 . . ?
C33 C34 H34 120.0 2 . ?

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
C12B Si2B C9B C4 -27(6) . . . . ?
C10B Si2B C9B C4 -150(4) . . . . ?
C11B Si2B C9B C4 92(5) . . . . ?
C12B Si2B C9B Si3B -175(4) . . . . ?
C10B Si2B C9B Si3B 62(6) . . . . ?
C11B Si2B C9B Si3B -56(5) . . . . ?
C3 Si1 C1 C2 164.86(12) . . . . ?
Si1 Si1 C1 C2 2.95(13) 3 . . . ?
Si1 C1 C2 C2 -3.6(2) . . . 3 ?
C1 Si1 C3 C4 120.17(9) . . . . ?
Si1 Si1 C3 C4 -89.78(10) 3 . . . ?
C1 Si1 C3 C8 -50.69(10) . . . . ?
Si1 Si1 C3 C8 99.35(9) 3 . . . ?
C8 C3 C4 C5 1.59(15) . . . . ?
Si1 C3 C4 C5 -169.25(8) . . . . ?
C8 C3 C4 C9 -178.80(10) . . . . ?
Si1 C3 C4 C9 10.37(15) . . . . ?
C8 C3 C4 C9B -173(2) . . . . ?
Si1 C3 C4 C9B 16(2) . . . . ?
Si3 C9 C4 C5 76.56(11) . . . . ?
Si2 C9 C4 C5 -53.79(12) . . . . ?
Si3 C9 C4 C3 -103.07(11) . . . . ?
Si2 C9 C4 C3 126.58(10) . . . . ?
Si2B C9B C4 C5 -78(4) . . . . ?
Si3B C9B C4 C5 71(6) . . . . ?
Si2B C9B C4 C3 97(6) . . . . ?
Si3B C9B C4 C3 -114(4) . . . . ?
C3 C4 C5 C6 -1.23(17) . . . . ?
C9 C4 C5 C6 179.13(10) . . . . ?
C9B C4 C5 C6 174.4(15) . . . . ?
C4 C5 C6 C7 -0.22(17) . . . . ?
C4 C5 C6 C16 -178.44(11) . . . . ?
C5 C6 C7 C8 1.32(17) . . . . ?
C16 C6 C7 C8 179.57(11) . . . . ?
C6 C7 C8 C3 -0.93(17) . . . . ?
C6 C7 C8 C20 -179.78(10) . . . . ?
C4 C3 C8 C7 -0.56(15) . . . . ?
Si1 C3 C8 C7 170.69(8) . . . . ?
C4 C3 C8 C20 178.21(10) . . . . ?
Si1 C3 C8 C20 -10.54(14) . . . . ?
C5 C6 C16 C19 -132.02(14) . . . . ?
C7 C6 C16 C19 49.82(16) . . . . ?
C5 C6 C16 C18 -11.69(17) . . . . ?
C7 C6 C16 C18 170.15(12) . . . . ?
C5 C6 C16 C17 108.16(14) . . . . ?
C7 C6 C16 C17 -70.00(15) . . . . ?
C7 C8 C20 Si4 74.87(11) . . . . ?
C3 C8 C20 Si4 -103.92(11) . . . . ?
C7 C8 C20 Si5 -59.88(12) . . . . ?
C3 C8 C20 Si5 121.33(10) . . . . ?
C21 Si4 C20 C8 48.75(10) . . . . ?
C23 Si4 C20 C8 167.51(9) . . . . ?
C22 Si4 C20 C8 -69.18(10) . . . . ?
C21 Si4 C20 Si5 -178.00(7) . . . . ?
C23 Si4 C20 Si5 -59.24(9) . . . . ?
C22 Si4 C20 Si5 64.07(9) . . . . ?
C32 C31 C32 C33 0.03(13) 2 . . . ?
C31 C32 C33 C34 -0.1(2) . . . . ?
C32 C33 C34 C33 0.03(12) . . . 2 ?

_refine_diff_density_max         0.710
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.052

####################################################################### 
# 
# 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_compound4
_audit_block_doi                 10.5517/ccdc.csd.cc1zfw7j
_database_code_depnum_ccdc_archive 'CCDC 1830588'
_audit_update_record             
;
2018-03-18 deposited with the CCDC.
2018-08-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C64 H110 Si10'
_chemical_formula_sum            'C64 H110 Si10'
_chemical_formula_weight         1160.41

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

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   13.2542(4)
_cell_length_b                   14.3679(5)
_cell_length_c                   20.4533(7)
_cell_angle_alpha                85.685(3)
_cell_angle_beta                 89.418(2)
_cell_angle_gamma                66.661(3)
_cell_volume                     3565.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    103(2)
_cell_measurement_reflns_used    43277
_cell_measurement_theta_min      1.548
_cell_measurement_theta_max      24.999

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.081
_exptl_crystal_F_000             1268
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.219
_shelx_estimated_absorpt_T_min   0.976
_shelx_estimated_absorpt_T_max   0.987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.976
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_process_details   
;
 MULABS - Empirical Correction for Absorption Anisotropy.
 Blessing, R. H., Acta Cryst., A51, 33-38 (1995).
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      103(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            43277
_diffrn_reflns_av_unetI/netI     0.0855
_diffrn_reflns_av_R_equivalents  0.0786
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.548
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             12508
_reflns_number_gt                8449
_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       CrystalClear
_computing_cell_refinement       HKL2000
_computing_data_reduction        HKL2000
_computing_structure_solution    SIR2004
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2011 (Wakita Nemoto et al., 2011)'
_computing_publication_material  
;Yadokari-XG 2011 (Wakita,Nemoto et al., 2011)
;
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0700P)²+2.7760P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12508
_refine_ls_number_parameters     722
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0622
_refine_ls_wR_factor_ref         0.1594
_refine_ls_wR_factor_gt          0.1362
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.000
_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
Si1 Si 0.25290(8) 0.62336(8) 0.30099(5) 0.0192(2) Uani 1 1 d . . . . .
Si2 Si 0.27055(8) 0.76826(8) 0.31092(5) 0.0205(2) Uani 1 1 d . . . . .
C1 C 0.2201(3) 0.8042(3) 0.39291(18) 0.0217(8) Uani 1 1 d . . . . .
C2 C 0.1706(3) 0.7528(3) 0.43288(18) 0.0227(8) Uani 1 1 d . . . . .
H2 H 0.1450 0.7827 0.4729 0.027 Uiso 1 1 calc R U . . .
C3 C 0.1511(3) 0.6642(3) 0.42531(18) 0.0234(9) Uani 1 1 d . . . . .
C4 C 0.1893(3) 0.6014(3) 0.37453(18) 0.0236(9) Uani 1 1 d . . . . .
H4 H 0.1805 0.5388 0.3794 0.028 Uiso 1 1 calc R U . . .
C5 C 0.2426(3) 0.8851(3) 0.42348(18) 0.0260(9) Uani 1 1 d . . . . .
C6 C 0.3415(3) 0.8962(3) 0.41217(19) 0.0310(10) Uani 1 1 d . . . . .
H6 H 0.3923 0.8545 0.3827 0.037 Uiso 1 1 calc R U . . .
C7 C 0.3667(4) 0.9673(3) 0.4434(2) 0.0386(11) Uani 1 1 d . . . . .
H7 H 0.4340 0.9743 0.4348 0.046 Uiso 1 1 calc R U . . .
C8 C 0.2938(4) 1.0279(3) 0.4870(2) 0.0436(12) Uani 1 1 d . . . . .
H8 H 0.3106 1.0767 0.5083 0.052 Uiso 1 1 calc R U . . .
C9 C 0.1974(4) 1.0166(3) 0.4992(2) 0.0440(12) Uani 1 1 d . . . . .
H9 H 0.1475 1.0571 0.5296 0.053 Uiso 1 1 calc R U . . .
C10 C 0.1723(4) 0.9465(3) 0.46759(19) 0.0320(10) Uani 1 1 d . . . . .
H10 H 0.1046 0.9404 0.4764 0.038 Uiso 1 1 calc R U . . .
C11 C 0.0917(3) 0.6350(3) 0.48021(19) 0.0279(9) Uani 1 1 d . . . . .
C12 C -0.0061(4) 0.7033(4) 0.5012(2) 0.0438(12) Uani 1 1 d . . . . .
H12 H -0.0370 0.7696 0.4795 0.053 Uiso 1 1 calc R U . . .
C13 C -0.0616(4) 0.6788(4) 0.5530(2) 0.0526(14) Uani 1 1 d . . . . .
H13 H -0.1306 0.7271 0.5656 0.063 Uiso 1 1 calc R U . . .
C14 C -0.0173(4) 0.5863(4) 0.5853(2) 0.0526(14) Uani 1 1 d . . . . .
H14 H -0.0545 0.5702 0.6216 0.063 Uiso 1 1 calc R U . . .
C15 C 0.0809(4) 0.5147(4) 0.5667(2) 0.0522(13) Uani 1 1 d . . . . .
H15 H 0.1113 0.4494 0.5898 0.063 Uiso 1 1 calc R U . . .
C16 C 0.1359(4) 0.5389(4) 0.5133(2) 0.0414(11) Uani 1 1 d . . . . .
H16 H 0.2034 0.4895 0.4997 0.050 Uiso 1 1 calc R U . . .
C17 C 0.3229(3) 0.5133(3) 0.25103(17) 0.0170(8) Uani 1 1 d . . . . .
C18 C 0.2930(3) 0.5123(3) 0.18457(17) 0.0174(8) Uani 1 1 d . . . . .
C19 C 0.3584(3) 0.4350(3) 0.14761(17) 0.0196(8) Uani 1 1 d . . . . .
H19 H 0.3369 0.4351 0.1034 0.024 Uiso 1 1 calc R U . . .
C20 C 0.4546(3) 0.3570(3) 0.17243(17) 0.0182(8) Uani 1 1 d . . . . .
C21 C 0.4800(3) 0.3558(3) 0.23821(17) 0.0181(8) Uani 1 1 d . . . . .
H21 H 0.5442 0.3019 0.2564 0.022 Uiso 1 1 calc R U . . .
C22 C 0.4166(3) 0.4294(3) 0.27892(17) 0.0169(8) Uani 1 1 d . . . . .
C23 C 0.1875(3) 0.5906(3) 0.15260(17) 0.0208(8) Uani 1 1 d . . . . .
H23 H 0.1621 0.6474 0.1823 0.025 Uiso 1 1 calc R U . . .
Si3 Si 0.20136(9) 0.65198(9) 0.06926(5) 0.0276(3) Uani 1 1 d . . . . .
C24 C 0.3328(4) 0.6686(4) 0.0624(2) 0.0504(13) Uani 1 1 d . . . . .
H24 H 0.3942 0.6018 0.0658 0.076 Uiso 1 1 calc R U . . .
H24A H 0.3392 0.7084 0.0978 0.076 Uiso 1 1 calc R U . . .
H24B H 0.3346 0.7044 0.0199 0.076 Uiso 1 1 calc R U . . .
C25 C 0.0931(4) 0.7837(4) 0.0595(3) 0.0625(16) Uani 1 1 d . . . . .
H25 H 0.0974 0.8147 0.0158 0.094 Uiso 1 1 calc R U . . .
H25A H 0.1046 0.8242 0.0929 0.094 Uiso 1 1 calc R U . . .
H25B H 0.0206 0.7813 0.0647 0.094 Uiso 1 1 calc R U . . .
C26 C 0.1912(4) 0.5804(4) -0.0009(2) 0.0462(12) Uani 1 1 d . . . . .
H26 H 0.1919 0.6194 -0.0422 0.069 Uiso 1 1 calc R U . . .
H26A H 0.1226 0.5698 0.0017 0.069 Uiso 1 1 calc R U . . .
H26B H 0.2537 0.5144 0.0010 0.069 Uiso 1 1 calc R U . . .
Si4 Si 0.07732(9) 0.53763(9) 0.15634(6) 0.0306(3) Uani 1 1 d . . . . .
C27 C 0.0453(3) 0.5191(4) 0.2441(2) 0.0426(12) Uani 1 1 d . . . . .
H27 H -0.0117 0.4917 0.2470 0.064 Uiso 1 1 calc R U . . .
H27A H 0.0190 0.5845 0.2638 0.064 Uiso 1 1 calc R U . . .
H27B H 0.1118 0.4714 0.2677 0.064 Uiso 1 1 calc R U . . .
C28 C -0.0521(3) 0.6274(4) 0.1128(2) 0.0483(13) Uani 1 1 d . . . . .
H28 H -0.0363 0.6407 0.0669 0.072 Uiso 1 1 calc R U . . .
H28A H -0.0810 0.6915 0.1341 0.072 Uiso 1 1 calc R U . . .
H28B H -0.1067 0.5972 0.1145 0.072 Uiso 1 1 calc R U . . .
C29 C 0.1226(4) 0.4128(4) 0.1212(3) 0.0521(13) Uani 1 1 d . . . . .
H29 H 0.1874 0.3639 0.1457 0.078 Uiso 1 1 calc R U . . .
H29A H 0.1411 0.4199 0.0751 0.078 Uiso 1 1 calc R U . . .
H29B H 0.0632 0.3884 0.1242 0.078 Uiso 1 1 calc R U . . .
C30 C 0.5290(3) 0.2740(3) 0.13076(18) 0.0260(9) Uani 1 1 d . . . . .
C31 C 0.6419(3) 0.2818(3) 0.1274(2) 0.0378(11) Uani 1 1 d . . . . .
H31 H 0.6919 0.2282 0.1016 0.057 Uiso 1 1 calc R U . . .
H31A H 0.6726 0.2738 0.1718 0.057 Uiso 1 1 calc R U . . .
H31B H 0.6329 0.3484 0.1065 0.057 Uiso 1 1 calc R U . . .
C32 C 0.5446(4) 0.1694(3) 0.1623(2) 0.0440(12) Uani 1 1 d . . . . .
H32 H 0.4728 0.1654 0.1674 0.066 Uiso 1 1 calc R U . . .
H32A H 0.5807 0.1588 0.2054 0.066 Uiso 1 1 calc R U . . .
H32B H 0.5904 0.1169 0.1343 0.066 Uiso 1 1 calc R U . . .
C33 C 0.4841(3) 0.2832(3) 0.06176(18) 0.0312(10) Uani 1 1 d . . . . .
H33 H 0.4111 0.2811 0.0635 0.047 Uiso 1 1 calc R U . . .
H33A H 0.5336 0.2266 0.0378 0.047 Uiso 1 1 calc R U . . .
H33B H 0.4786 0.3477 0.0392 0.047 Uiso 1 1 calc R U . . .
C34 C 0.4477(3) 0.4119(3) 0.35169(17) 0.0200(8) Uani 1 1 d . . . . .
H34 H 0.3878 0.4675 0.3730 0.024 Uiso 1 1 calc R U . . .
Si5 Si 0.57950(8) 0.42394(8) 0.37596(5) 0.0242(3) Uani 1 1 d . . . . .
C35 C 0.5604(3) 0.5599(3) 0.37217(19) 0.0288(9) Uani 1 1 d . . . . .
H35 H 0.4994 0.5972 0.4001 0.043 Uiso 1 1 calc R U . . .
H35A H 0.5439 0.5894 0.3268 0.043 Uiso 1 1 calc R U . . .
H35B H 0.6279 0.5645 0.3876 0.043 Uiso 1 1 calc R U . . .
C36 C 0.6972(3) 0.3552(3) 0.3237(2) 0.0353(10) Uani 1 1 d . . . . .
H36 H 0.7631 0.3631 0.3390 0.053 Uiso 1 1 calc R U . . .
H36A H 0.6802 0.3835 0.2781 0.053 Uiso 1 1 calc R U . . .
H36B H 0.7105 0.2829 0.3265 0.053 Uiso 1 1 calc R U . . .
C37 C 0.6166(4) 0.3741(3) 0.4629(2) 0.0438(12) Uani 1 1 d . . . . .
H37 H 0.6344 0.3009 0.4671 0.066 Uiso 1 1 calc R U . . .
H37A H 0.5545 0.4087 0.4908 0.066 Uiso 1 1 calc R U . . .
H37B H 0.6806 0.3865 0.4766 0.066 Uiso 1 1 calc R U . . .
Si6 Si 0.43708(8) 0.28952(8) 0.38607(5) 0.0227(2) Uani 1 1 d . . . . .
C38 C 0.5660(3) 0.1725(3) 0.3787(2) 0.0303(9) Uani 1 1 d . . . . .
H38 H 0.5548 0.1129 0.3979 0.045 Uiso 1 1 calc R U . . .
H38A H 0.6267 0.1794 0.4021 0.045 Uiso 1 1 calc R U . . .
H38B H 0.5840 0.1643 0.3323 0.045 Uiso 1 1 calc R U . . .
C39 C 0.4022(4) 0.2956(3) 0.4748(2) 0.0419(11) Uani 1 1 d . . . . .
H39 H 0.3470 0.3634 0.4821 0.063 Uiso 1 1 calc R U . . .
H39A H 0.4685 0.2822 0.5011 0.063 Uiso 1 1 calc R U . . .
H39B H 0.3726 0.2444 0.4877 0.063 Uiso 1 1 calc R U . . .
C40 C 0.3235(3) 0.2739(3) 0.3423(2) 0.0337(10) Uani 1 1 d . . . . .
H40 H 0.3138 0.2136 0.3618 0.051 Uiso 1 1 calc R U . . .
H40A H 0.3412 0.2658 0.2959 0.051 Uiso 1 1 calc R U . . .
H40B H 0.2554 0.3342 0.3462 0.051 Uiso 1 1 calc R U . . .
C41 C 0.2767(3) 0.8636(3) 0.24506(17) 0.0188(8) Uani 1 1 d . . . . .
C42 C 0.3747(3) 0.8499(3) 0.21066(17) 0.0181(8) Uani 1 1 d . . . . .
C43 C 0.3680(3) 0.9080(3) 0.15170(17) 0.0209(8) Uani 1 1 d . . . . .
H43 H 0.4336 0.8974 0.1285 0.025 Uiso 1 1 calc R U . . .
C44 C 0.2698(3) 0.9805(3) 0.12564(18) 0.0240(9) Uani 1 1 d . . . . .
C45 C 0.1761(3) 0.9979(3) 0.16226(18) 0.0236(9) Uani 1 1 d . . . . .
H45 H 0.1084 1.0489 0.1458 0.028 Uiso 1 1 calc R U . . .
C46 C 0.1766(3) 0.9443(3) 0.22165(18) 0.0205(8) Uani 1 1 d . . . . .
C47 C 0.4898(3) 0.7848(3) 0.23806(18) 0.0193(8) Uani 1 1 d . . . . .
H47 H 0.4785 0.7513 0.2805 0.023 Uiso 1 1 calc R U . . .
Si7 Si 0.56097(8) 0.87073(8) 0.26122(5) 0.0239(3) Uani 1 1 d . . . . .
C48 C 0.4583(3) 0.9993(3) 0.2761(2) 0.0304(9) Uani 1 1 d . . . . .
H48 H 0.4037 0.9932 0.3068 0.046 Uiso 1 1 calc R U . . .
H48A H 0.4217 1.0342 0.2345 0.046 Uiso 1 1 calc R U . . .
H48B H 0.4954 1.0385 0.2948 0.046 Uiso 1 1 calc R U . . .
C49 C 0.6501(3) 0.8901(3) 0.1945(2) 0.0307(10) Uani 1 1 d . . . . .
H49 H 0.6815 0.9374 0.2077 0.046 Uiso 1 1 calc R U . . .
H49A H 0.6059 0.9184 0.1542 0.046 Uiso 1 1 calc R U . . .
H49B H 0.7095 0.8248 0.1869 0.046 Uiso 1 1 calc R U . . .
C50 C 0.6474(3) 0.8147(3) 0.3375(2) 0.0376(11) Uani 1 1 d . . . . .
H50 H 0.7051 0.7487 0.3292 0.056 Uiso 1 1 calc R U . . .
H50A H 0.6012 0.8057 0.3730 0.056 Uiso 1 1 calc R U . . .
H50B H 0.6811 0.8605 0.3501 0.056 Uiso 1 1 calc R U . . .
Si8 Si 0.58300(8) 0.67717(8) 0.18935(5) 0.0205(2) Uani 1 1 d . . . . .
C51 C 0.6003(3) 0.7180(3) 0.10268(18) 0.0268(9) Uani 1 1 d . . . . .
H51 H 0.6497 0.6591 0.0806 0.040 Uiso 1 1 calc R U . . .
H51A H 0.6317 0.7694 0.1020 0.040 Uiso 1 1 calc R U . . .
H51B H 0.5286 0.7469 0.0799 0.040 Uiso 1 1 calc R U . . .
C52 C 0.7231(3) 0.6150(3) 0.2297(2) 0.0294(9) Uani 1 1 d . . . . .
H52 H 0.7158 0.5954 0.2759 0.044 Uiso 1 1 calc R U . . .
H52A H 0.7593 0.6628 0.2269 0.044 Uiso 1 1 calc R U . . .
H52B H 0.7673 0.5544 0.2074 0.044 Uiso 1 1 calc R U . . .
C53 C 0.5298(3) 0.5758(3) 0.1868(2) 0.0302(9) Uani 1 1 d . . . . .
H53 H 0.4502 0.6069 0.1784 0.045 Uiso 1 1 calc R U . . .
H53A H 0.5454 0.5351 0.2290 0.045 Uiso 1 1 calc R U . . .
H53B H 0.5656 0.5320 0.1518 0.045 Uiso 1 1 calc R U . . .
C54 C 0.2666(3) 1.0418(3) 0.06016(19) 0.0284(9) Uani 1 1 d . . . . .
C55 C 0.1468(7) 1.1131(7) 0.0381(4) 0.035(3) Uani 0.457(6) 1 d . . P A 2
H55 H 0.1039 1.0721 0.0322 0.052 Uiso 0.457(6) 1 calc R U P A 2
H55A H 0.1131 1.1607 0.0717 0.052 Uiso 0.457(6) 1 calc R U P A 2
H55B H 0.1481 1.1512 -0.0035 0.052 Uiso 0.457(6) 1 calc R U P A 2
C56 C 0.3298(7) 1.1061(6) 0.0687(4) 0.029(2) Uani 0.457(6) 1 d . . P A 2
H56 H 0.2965 1.1524 0.1030 0.043 Uiso 0.457(6) 1 calc R U P A 2
H56A H 0.4061 1.0625 0.0813 0.043 Uiso 0.457(6) 1 calc R U P A 2
H56B H 0.3284 1.1458 0.0273 0.043 Uiso 0.457(6) 1 calc R U P A 2
C57 C 0.3146(7) 0.9691(7) 0.0078(4) 0.031(2) Uani 0.457(6) 1 d . . P A 2
H57 H 0.2713 0.9282 0.0035 0.046 Uiso 0.457(6) 1 calc R U P A 2
H57A H 0.3131 1.0076 -0.0341 0.046 Uiso 0.457(6) 1 calc R U P A 2
H57B H 0.3908 0.9243 0.0199 0.046 Uiso 0.457(6) 1 calc R U P A 2
C58 C 0.2015(8) 1.0153(7) 0.0103(4) 0.055(3) Uani 0.543(6) 1 d . . P A 1
H58 H 0.2361 0.9423 0.0046 0.083 Uiso 0.543(6) 1 calc R U P A 1
H58A H 0.1263 1.0327 0.0255 0.083 Uiso 0.543(6) 1 calc R U P A 1
H58B H 0.1997 1.0537 -0.0317 0.083 Uiso 0.543(6) 1 calc R U P A 1
C59 C 0.2136(8) 1.1561(6) 0.0698(4) 0.050(3) Uani 0.543(6) 1 d . . P A 1
H59 H 0.2567 1.1723 0.1024 0.075 Uiso 0.543(6) 1 calc R U P A 1
H59A H 0.2119 1.1949 0.0280 0.075 Uiso 0.543(6) 1 calc R U P A 1
H59B H 0.1385 1.1740 0.0852 0.075 Uiso 0.543(6) 1 calc R U P A 1
C60 C 0.3829(7) 1.0204(7) 0.0327(4) 0.048(3) Uani 0.543(6) 1 d . . P A 1
H60 H 0.4265 1.0373 0.0646 0.072 Uiso 0.543(6) 1 calc R U P A 1
H60A H 0.4194 0.9484 0.0246 0.072 Uiso 0.543(6) 1 calc R U P A 1
H60B H 0.3760 1.0622 -0.0085 0.072 Uiso 0.543(6) 1 calc R U P A 1
C61 C 0.0720(3) 0.9809(3) 0.26125(19) 0.0248(9) Uani 1 1 d . . . . .
H61 H 0.0921 0.9374 0.3035 0.030 Uiso 1 1 calc R U . . .
Si9 Si -0.05243(9) 0.96454(9) 0.22893(6) 0.0349(3) Uani 1 1 d . . . . .
C62 C -0.1736(3) 1.0288(3) 0.2808(3) 0.0463(13) Uani 1 1 d . . . . .
H62 H -0.1945 1.1025 0.2755 0.069 Uiso 1 1 calc R U . . .
H62A H -0.1544 1.0047 0.3269 0.069 Uiso 1 1 calc R U . . .
H62B H -0.2353 1.0130 0.2671 0.069 Uiso 1 1 calc R U . . .
C63 C -0.0300(3) 0.8277(3) 0.2347(3) 0.0499(13) Uani 1 1 d . . . . .
H63 H -0.0982 0.8213 0.2225 0.075 Uiso 1 1 calc R U . . .
H63A H -0.0081 0.7984 0.2797 0.075 Uiso 1 1 calc R U . . .
H63B H 0.0282 0.7913 0.2048 0.075 Uiso 1 1 calc R U . . .
C64 C -0.0899(4) 1.0183(4) 0.1428(2) 0.0526(14) Uani 1 1 d . . . . .
H64 H -0.1579 1.0122 0.1297 0.079 Uiso 1 1 calc R U . . .
H64A H -0.0306 0.9808 0.1139 0.079 Uiso 1 1 calc R U . . .
H64B H -0.1011 1.0901 0.1393 0.079 Uiso 1 1 calc R U . . .
Si10 Si 0.03712(9) 1.11623(9) 0.28568(6) 0.0290(3) Uani 1 1 d . . . . .
C65 C 0.1646(3) 1.1369(3) 0.2979(2) 0.0415(11) Uani 1 1 d . . . . .
H65 H 0.1459 1.2059 0.3111 0.062 Uiso 1 1 calc R U . . .
H65A H 0.2050 1.1283 0.2569 0.062 Uiso 1 1 calc R U . . .
H65B H 0.2106 1.0874 0.3322 0.062 Uiso 1 1 calc R U . . .
C66 C -0.0492(3) 1.2181(3) 0.2231(2) 0.0380(11) Uani 1 1 d . . . . .
H66 H -0.0656 1.2849 0.2394 0.057 Uiso 1 1 calc R U . . .
H66A H -0.1180 1.2101 0.2152 0.057 Uiso 1 1 calc R U . . .
H66B H -0.0091 1.2126 0.1821 0.057 Uiso 1 1 calc R U . . .
C67 C -0.0361(3) 1.1349(3) 0.3655(2) 0.0394(11) Uani 1 1 d . . . . .
H67 H 0.0064 1.0800 0.3981 0.059 Uiso 1 1 calc R U . . .
H67A H -0.1090 1.1341 0.3594 0.059 Uiso 1 1 calc R U . . .
H67B H -0.0441 1.2004 0.3808 0.059 Uiso 1 1 calc R U . . .


_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 C4 1.785(4) . ?
Si1 C17 1.862(4) . ?
Si1 Si2 2.2093(14) . ?
Si2 C1 1.833(4) . ?
Si2 C41 1.872(4) . ?
C1 C2 1.388(5) . ?
C1 C5 1.489(5) . ?
C2 C3 1.415(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.384(5) . ?
C3 C11 1.492(5) . ?
C4 H4 0.9500 . ?
C5 C10 1.383(5) . ?
C5 C6 1.397(5) . ?
C6 C7 1.392(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.386(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.369(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.382(6) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.369(6) . ?
C11 C16 1.391(6) . ?
C12 C13 1.387(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.343(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.373(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.405(6) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.422(5) . ?
C17 C22 1.431(5) . ?
C18 C19 1.381(5) . ?
C18 C23 1.520(5) . ?
C19 C20 1.391(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.388(5) . ?
C20 C30 1.525(5) . ?
C21 C22 1.390(5) . ?
C21 H21 0.9500 . ?
C22 C34 1.524(5) . ?
C23 Si4 1.894(4) . ?
C23 Si3 1.901(4) . ?
C23 H23 1.0000 . ?
Si3 C24 1.853(5) . ?
Si3 C26 1.862(5) . ?
Si3 C25 1.864(5) . ?
C24 H24 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C25 H25 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C26 H26 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
Si4 C29 1.851(5) . ?
Si4 C27 1.864(4) . ?
Si4 C28 1.872(4) . ?
C27 H27 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C28 H28 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C29 H29 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C30 C33 1.513(5) . ?
C30 C32 1.525(5) . ?
C30 C31 1.545(5) . ?
C31 H31 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C32 H32 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C33 H33 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C34 Si5 1.896(4) . ?
C34 Si6 1.902(4) . ?
C34 H34 1.0000 . ?
Si5 C36 1.859(4) . ?
Si5 C37 1.861(4) . ?
Si5 C35 1.863(4) . ?
C35 H35 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C36 H36 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C37 H37 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
Si6 C40 1.855(4) . ?
Si6 C39 1.868(4) . ?
Si6 C38 1.878(4) . ?
C38 H38 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C39 H39 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C40 H40 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C41 C42 1.422(5) . ?
C41 C46 1.430(5) . ?
C42 C43 1.397(5) . ?
C42 C47 1.524(5) . ?
C43 C44 1.385(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.389(5) . ?
C44 C54 1.538(5) . ?
C45 C46 1.387(5) . ?
C45 H45 0.9500 . ?
C46 C61 1.523(5) . ?
C47 Si8 1.898(4) . ?
C47 Si7 1.913(4) . ?
C47 H47 1.0000 . ?
Si7 C48 1.855(4) . ?
Si7 C49 1.872(4) . ?
Si7 C50 1.873(4) . ?
C48 H48 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C49 H49 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C50 H50 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
Si8 C53 1.857(4) . ?
Si8 C51 1.866(4) . ?
Si8 C52 1.880(4) . ?
C51 H51 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C52 H52 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C53 H53 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C54 C56 1.492(9) . ?
C54 C58 1.505(9) . ?
C54 C57 1.507(9) . ?
C54 C59 1.537(9) . ?
C54 C60 1.556(10) . ?
C54 C55 1.559(9) . ?
C55 H55 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C56 H56 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C57 H57 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C58 H58 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C59 H59 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C60 H60 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C61 Si9 1.888(4) . ?
C61 Si10 1.917(4) . ?
C61 H61 1.0000 . ?
Si9 C64 1.859(5) . ?
Si9 C63 1.863(5) . ?
Si9 C62 1.869(4) . ?
C62 H62 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C63 H63 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C64 H64 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
Si10 C65 1.851(4) . ?
Si10 C67 1.873(4) . ?
Si10 C66 1.873(4) . ?
C65 H65 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C66 H66 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C67 H67 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 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
C4 Si1 C17 117.60(16) . . ?
C4 Si1 Si2 105.29(13) . . ?
C17 Si1 Si2 133.84(12) . . ?
C1 Si2 C41 122.06(16) . . ?
C1 Si2 Si1 104.72(13) . . ?
C41 Si2 Si1 128.89(12) . . ?
C2 C1 C5 115.7(3) . . ?
C2 C1 Si2 123.7(3) . . ?
C5 C1 Si2 120.2(3) . . ?
C1 C2 C3 132.2(3) . . ?
C1 C2 H2 113.9 . . ?
C3 C2 H2 113.9 . . ?
C4 C3 C2 125.1(3) . . ?
C4 C3 C11 119.6(3) . . ?
C2 C3 C11 115.2(3) . . ?
C3 C4 Si1 128.2(3) . . ?
C3 C4 H4 115.9 . . ?
Si1 C4 H4 115.9 . . ?
C10 C5 C6 117.1(4) . . ?
C10 C5 C1 122.4(4) . . ?
C6 C5 C1 120.3(4) . . ?
C7 C6 C5 121.0(4) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C8 C7 C6 120.1(4) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C9 C8 C7 119.3(4) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C8 C9 C10 120.3(4) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C9 C10 C5 122.1(4) . . ?
C9 C10 H10 119.0 . . ?
C5 C10 H10 119.0 . . ?
C12 C11 C16 117.8(4) . . ?
C12 C11 C3 121.0(4) . . ?
C16 C11 C3 121.2(4) . . ?
C11 C12 C13 122.1(5) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C14 C13 C12 119.6(5) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C15 121.0(4) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 H14 119.5 . . ?
C14 C15 C16 119.3(5) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C11 C16 C15 120.2(4) . . ?
C11 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C17 C22 118.3(3) . . ?
C18 C17 Si1 123.0(3) . . ?
C22 C17 Si1 118.5(3) . . ?
C19 C18 C17 119.8(3) . . ?
C19 C18 C23 117.6(3) . . ?
C17 C18 C23 122.6(3) . . ?
C18 C19 C20 122.7(3) . . ?
C18 C19 H19 118.7 . . ?
C20 C19 H19 118.7 . . ?
C21 C20 C19 117.1(3) . . ?
C21 C20 C30 120.3(3) . . ?
C19 C20 C30 122.6(3) . . ?
C20 C21 C22 123.4(3) . . ?
C20 C21 H21 118.3 . . ?
C22 C21 H21 118.3 . . ?
C21 C22 C17 118.4(3) . . ?
C21 C22 C34 117.5(3) . . ?
C17 C22 C34 124.0(3) . . ?
C18 C23 Si4 109.4(2) . . ?
C18 C23 Si3 116.3(2) . . ?
Si4 C23 Si3 114.74(18) . . ?
C18 C23 H23 105.1 . . ?
Si4 C23 H23 105.1 . . ?
Si3 C23 H23 105.1 . . ?
C24 Si3 C26 107.6(2) . . ?
C24 Si3 C25 104.7(3) . . ?
C26 Si3 C25 109.3(2) . . ?
C24 Si3 C23 112.12(18) . . ?
C26 Si3 C23 113.81(19) . . ?
C25 Si3 C23 108.9(2) . . ?
Si3 C24 H24 109.5 . . ?
Si3 C24 H24A 109.5 . . ?
H24 C24 H24A 109.5 . . ?
Si3 C24 H24B 109.5 . . ?
H24 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si3 C25 H25 109.5 . . ?
Si3 C25 H25A 109.5 . . ?
H25 C25 H25A 109.5 . . ?
Si3 C25 H25B 109.5 . . ?
H25 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si3 C26 H26 109.5 . . ?
Si3 C26 H26A 109.5 . . ?
H26 C26 H26A 109.5 . . ?
Si3 C26 H26B 109.5 . . ?
H26 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C29 Si4 C27 107.6(2) . . ?
C29 Si4 C28 108.9(2) . . ?
C27 Si4 C28 108.1(2) . . ?
C29 Si4 C23 112.36(19) . . ?
C27 Si4 C23 108.32(18) . . ?
C28 Si4 C23 111.4(2) . . ?
Si4 C27 H27 109.5 . . ?
Si4 C27 H27A 109.5 . . ?
H27 C27 H27A 109.5 . . ?
Si4 C27 H27B 109.5 . . ?
H27 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si4 C28 H28 109.5 . . ?
Si4 C28 H28A 109.5 . . ?
H28 C28 H28A 109.5 . . ?
Si4 C28 H28B 109.5 . . ?
H28 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si4 C29 H29 109.5 . . ?
Si4 C29 H29A 109.5 . . ?
H29 C29 H29A 109.5 . . ?
Si4 C29 H29B 109.5 . . ?
H29 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C33 C30 C20 113.0(3) . . ?
C33 C30 C32 107.9(3) . . ?
C20 C30 C32 110.2(3) . . ?
C33 C30 C31 109.0(3) . . ?
C20 C30 C31 107.9(3) . . ?
C32 C30 C31 108.9(3) . . ?
C30 C31 H31 109.5 . . ?
C30 C31 H31A 109.5 . . ?
H31 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C32 H32 109.5 . . ?
C30 C32 H32A 109.5 . . ?
H32 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C33 H33 109.5 . . ?
C30 C33 H33A 109.5 . . ?
H33 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C22 C34 Si5 117.0(2) . . ?
C22 C34 Si6 109.0(2) . . ?
Si5 C34 Si6 114.09(18) . . ?
C22 C34 H34 105.2 . . ?
Si5 C34 H34 105.2 . . ?
Si6 C34 H34 105.2 . . ?
C36 Si5 C37 108.8(2) . . ?
C36 Si5 C35 108.22(19) . . ?
C37 Si5 C35 105.86(19) . . ?
C36 Si5 C34 113.17(17) . . ?
C37 Si5 C34 109.66(18) . . ?
C35 Si5 C34 110.89(17) . . ?
Si5 C35 H35 109.5 . . ?
Si5 C35 H35A 109.5 . . ?
H35 C35 H35A 109.5 . . ?
Si5 C35 H35B 109.5 . . ?
H35 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si5 C36 H36 109.5 . . ?
Si5 C36 H36A 109.5 . . ?
H36 C36 H36A 109.5 . . ?
Si5 C36 H36B 109.5 . . ?
H36 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si5 C37 H37 109.5 . . ?
Si5 C37 H37A 109.5 . . ?
H37 C37 H37A 109.5 . . ?
Si5 C37 H37B 109.5 . . ?
H37 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C40 Si6 C39 107.1(2) . . ?
C40 Si6 C38 108.57(19) . . ?
C39 Si6 C38 107.28(19) . . ?
C40 Si6 C34 108.78(17) . . ?
C39 Si6 C34 110.84(18) . . ?
C38 Si6 C34 114.06(17) . . ?
Si6 C38 H38 109.5 . . ?
Si6 C38 H38A 109.5 . . ?
H38 C38 H38A 109.5 . . ?
Si6 C38 H38B 109.5 . . ?
H38 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si6 C39 H39 109.5 . . ?
Si6 C39 H39A 109.5 . . ?
H39 C39 H39A 109.5 . . ?
Si6 C39 H39B 109.5 . . ?
H39 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si6 C40 H40 109.5 . . ?
Si6 C40 H40A 109.5 . . ?
H40 C40 H40A 109.5 . . ?
Si6 C40 H40B 109.5 . . ?
H40 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C42 C41 C46 118.3(3) . . ?
C42 C41 Si2 122.0(3) . . ?
C46 C41 Si2 118.9(3) . . ?
C43 C42 C41 119.0(3) . . ?
C43 C42 C47 116.6(3) . . ?
C41 C42 C47 123.9(3) . . ?
C44 C43 C42 122.8(3) . . ?
C44 C43 H43 118.6 . . ?
C42 C43 H43 118.6 . . ?
C43 C44 C45 117.3(3) . . ?
C43 C44 C54 120.8(3) . . ?
C45 C44 C54 121.8(3) . . ?
C46 C45 C44 123.1(3) . . ?
C46 C45 H45 118.5 . . ?
C44 C45 H45 118.5 . . ?
C45 C46 C41 118.9(3) . . ?
C45 C46 C61 117.6(3) . . ?
C41 C46 C61 123.3(3) . . ?
C42 C47 Si8 118.4(2) . . ?
C42 C47 Si7 109.6(2) . . ?
Si8 C47 Si7 111.68(17) . . ?
C42 C47 H47 105.4 . . ?
Si8 C47 H47 105.4 . . ?
Si7 C47 H47 105.4 . . ?
C48 Si7 C49 105.92(18) . . ?
C48 Si7 C50 108.78(19) . . ?
C49 Si7 C50 108.81(19) . . ?
C48 Si7 C47 110.75(17) . . ?
C49 Si7 C47 112.50(17) . . ?
C50 Si7 C47 109.94(18) . . ?
Si7 C48 H48 109.5 . . ?
Si7 C48 H48A 109.5 . . ?
H48 C48 H48A 109.5 . . ?
Si7 C48 H48B 109.5 . . ?
H48 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
Si7 C49 H49 109.5 . . ?
Si7 C49 H49A 109.5 . . ?
H49 C49 H49A 109.5 . . ?
Si7 C49 H49B 109.5 . . ?
H49 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
Si7 C50 H50 109.5 . . ?
Si7 C50 H50A 109.5 . . ?
H50 C50 H50A 109.5 . . ?
Si7 C50 H50B 109.5 . . ?
H50 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C53 Si8 C51 107.07(18) . . ?
C53 Si8 C52 106.09(18) . . ?
C51 Si8 C52 108.07(18) . . ?
C53 Si8 C47 111.17(17) . . ?
C51 Si8 C47 113.76(17) . . ?
C52 Si8 C47 110.34(17) . . ?
Si8 C51 H51 109.5 . . ?
Si8 C51 H51A 109.5 . . ?
H51 C51 H51A 109.5 . . ?
Si8 C51 H51B 109.5 . . ?
H51 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
Si8 C52 H52 109.5 . . ?
Si8 C52 H52A 109.5 . . ?
H52 C52 H52A 109.5 . . ?
Si8 C52 H52B 109.5 . . ?
H52 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Si8 C53 H53 109.5 . . ?
Si8 C53 H53A 109.5 . . ?
H53 C53 H53A 109.5 . . ?
Si8 C53 H53B 109.5 . . ?
H53 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C56 C54 C57 111.6(6) . . ?
C58 C54 C59 110.3(6) . . ?
C56 C54 C44 108.5(4) . . ?
C58 C54 C44 109.0(5) . . ?
C57 C54 C44 109.0(4) . . ?
C59 C54 C44 109.7(4) . . ?
C58 C54 C60 108.4(6) . . ?
C59 C54 C60 106.4(5) . . ?
C44 C54 C60 113.0(4) . . ?
C56 C54 C55 108.3(6) . . ?
C57 C54 C55 107.7(6) . . ?
C44 C54 C55 111.8(4) . . ?
C54 C55 H55 109.5 . . ?
C54 C55 H55A 109.5 . . ?
H55 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C56 H56 109.5 . . ?
C54 C56 H56A 109.5 . . ?
H56 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C57 H57 109.5 . . ?
C54 C57 H57A 109.5 . . ?
H57 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
H57 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C58 H58 109.5 . . ?
C54 C58 H58A 109.5 . . ?
H58 C58 H58A 109.5 . . ?
C54 C58 H58B 109.5 . . ?
H58 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C54 C59 H59 109.5 . . ?
C54 C59 H59A 109.5 . . ?
H59 C59 H59A 109.5 . . ?
C54 C59 H59B 109.5 . . ?
H59 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C54 C60 H60 109.5 . . ?
C54 C60 H60A 109.5 . . ?
H60 C60 H60A 109.5 . . ?
C54 C60 H60B 109.5 . . ?
H60 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C46 C61 Si9 118.4(3) . . ?
C46 C61 Si10 110.7(2) . . ?
Si9 C61 Si10 112.13(18) . . ?
C46 C61 H61 104.7 . . ?
Si9 C61 H61 104.7 . . ?
Si10 C61 H61 104.7 . . ?
C64 Si9 C63 109.1(2) . . ?
C64 Si9 C62 107.9(2) . . ?
C63 Si9 C62 106.0(2) . . ?
C64 Si9 C61 113.0(2) . . ?
C63 Si9 C61 110.69(18) . . ?
C62 Si9 C61 109.94(18) . . ?
Si9 C62 H62 109.5 . . ?
Si9 C62 H62A 109.5 . . ?
H62 C62 H62A 109.5 . . ?
Si9 C62 H62B 109.5 . . ?
H62 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
Si9 C63 H63 109.5 . . ?
Si9 C63 H63A 109.5 . . ?
H63 C63 H63A 109.5 . . ?
Si9 C63 H63B 109.5 . . ?
H63 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
Si9 C64 H64 109.5 . . ?
Si9 C64 H64A 109.5 . . ?
H64 C64 H64A 109.5 . . ?
Si9 C64 H64B 109.5 . . ?
H64 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C65 Si10 C67 107.1(2) . . ?
C65 Si10 C66 106.7(2) . . ?
C67 Si10 C66 108.67(19) . . ?
C65 Si10 C61 110.17(18) . . ?
C67 Si10 C61 109.97(19) . . ?
C66 Si10 C61 113.90(18) . . ?
Si10 C65 H65 109.5 . . ?
Si10 C65 H65A 109.5 . . ?
H65 C65 H65A 109.5 . . ?
Si10 C65 H65B 109.5 . . ?
H65 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
Si10 C66 H66 109.5 . . ?
Si10 C66 H66A 109.5 . . ?
H66 C66 H66A 109.5 . . ?
Si10 C66 H66B 109.5 . . ?
H66 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
Si10 C67 H67 109.5 . . ?
Si10 C67 H67A 109.5 . . ?
H67 C67 H67A 109.5 . . ?
Si10 C67 H67B 109.5 . . ?
H67 C67 H67B 109.5 . . ?
H67A C67 H67B 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
C41 Si2 C1 C2 151.6(3) . . . . ?
Si1 Si2 C1 C2 -6.9(3) . . . . ?
C41 Si2 C1 C5 -35.6(4) . . . . ?
Si1 Si2 C1 C5 165.9(3) . . . . ?
C5 C1 C2 C3 -169.7(4) . . . . ?
Si2 C1 C2 C3 3.4(6) . . . . ?
C1 C2 C3 C4 6.4(7) . . . . ?
C1 C2 C3 C11 -178.5(4) . . . . ?
C2 C3 C4 Si1 -10.1(6) . . . . ?
C11 C3 C4 Si1 174.9(3) . . . . ?
C17 Si1 C4 C3 166.8(3) . . . . ?
Si2 Si1 C4 C3 4.3(4) . . . . ?
C2 C1 C5 C10 -36.3(5) . . . . ?
Si2 C1 C5 C10 150.4(3) . . . . ?
C2 C1 C5 C6 138.7(4) . . . . ?
Si2 C1 C5 C6 -34.7(5) . . . . ?
C10 C5 C6 C7 -0.9(6) . . . . ?
C1 C5 C6 C7 -176.1(4) . . . . ?
C5 C6 C7 C8 0.7(6) . . . . ?
C6 C7 C8 C9 0.3(6) . . . . ?
C7 C8 C9 C10 -1.0(7) . . . . ?
C8 C9 C10 C5 0.6(7) . . . . ?
C6 C5 C10 C9 0.3(6) . . . . ?
C1 C5 C10 C9 175.4(4) . . . . ?
C4 C3 C11 C12 -131.4(4) . . . . ?
C2 C3 C11 C12 53.1(5) . . . . ?
C4 C3 C11 C16 50.9(5) . . . . ?
C2 C3 C11 C16 -124.5(4) . . . . ?
C16 C11 C12 C13 -0.8(7) . . . . ?
C3 C11 C12 C13 -178.5(4) . . . . ?
C11 C12 C13 C14 1.9(8) . . . . ?
C12 C13 C14 C15 -1.7(8) . . . . ?
C13 C14 C15 C16 0.3(8) . . . . ?
C12 C11 C16 C15 -0.6(6) . . . . ?
C3 C11 C16 C15 177.2(4) . . . . ?
C14 C15 C16 C11 0.8(7) . . . . ?
C4 Si1 C17 C18 121.1(3) . . . . ?
Si2 Si1 C17 C18 -82.7(3) . . . . ?
C4 Si1 C17 C22 -64.1(3) . . . . ?
Si2 Si1 C17 C22 92.1(3) . . . . ?
C22 C17 C18 C19 -4.4(5) . . . . ?
Si1 C17 C18 C19 170.4(3) . . . . ?
C22 C17 C18 C23 172.3(3) . . . . ?
Si1 C17 C18 C23 -12.9(5) . . . . ?
C17 C18 C19 C20 -0.6(5) . . . . ?
C23 C18 C19 C20 -177.5(3) . . . . ?
C18 C19 C20 C21 3.8(5) . . . . ?
C18 C19 C20 C30 -177.6(3) . . . . ?
C19 C20 C21 C22 -1.9(5) . . . . ?
C30 C20 C21 C22 179.4(3) . . . . ?
C20 C21 C22 C17 -3.0(5) . . . . ?
C20 C21 C22 C34 173.5(3) . . . . ?
C18 C17 C22 C21 6.1(5) . . . . ?
Si1 C17 C22 C21 -168.9(3) . . . . ?
C18 C17 C22 C34 -170.1(3) . . . . ?
Si1 C17 C22 C34 14.8(4) . . . . ?
C19 C18 C23 Si4 80.7(3) . . . . ?
C17 C18 C23 Si4 -96.1(3) . . . . ?
C19 C18 C23 Si3 -51.3(4) . . . . ?
C17 C18 C23 Si3 131.9(3) . . . . ?
C18 C23 Si4 C29 -53.8(3) . . . . ?
Si3 C23 Si4 C29 79.0(3) . . . . ?
C18 C23 Si4 C27 64.9(3) . . . . ?
Si3 C23 Si4 C27 -162.3(2) . . . . ?
C18 C23 Si4 C28 -176.3(3) . . . . ?
Si3 C23 Si4 C28 -43.5(3) . . . . ?
C21 C20 C30 C33 175.7(3) . . . . ?
C19 C20 C30 C33 -2.8(5) . . . . ?
C21 C20 C30 C32 55.0(5) . . . . ?
C19 C20 C30 C32 -123.6(4) . . . . ?
C21 C20 C30 C31 -63.8(4) . . . . ?
C19 C20 C30 C31 117.7(4) . . . . ?
C21 C22 C34 Si5 70.6(4) . . . . ?
C17 C22 C34 Si5 -113.1(3) . . . . ?
C21 C22 C34 Si6 -60.7(3) . . . . ?
C17 C22 C34 Si6 115.6(3) . . . . ?
C22 C34 Si5 C36 -46.7(3) . . . . ?
Si6 C34 Si5 C36 82.2(2) . . . . ?
C22 C34 Si5 C37 -168.3(3) . . . . ?
Si6 C34 Si5 C37 -39.4(3) . . . . ?
C22 C34 Si5 C35 75.1(3) . . . . ?
Si6 C34 Si5 C35 -155.96(19) . . . . ?
C1 Si2 C41 C42 126.9(3) . . . . ?
Si1 Si2 C41 C42 -80.2(3) . . . . ?
C1 Si2 C41 C46 -62.9(3) . . . . ?
Si1 Si2 C41 C46 90.0(3) . . . . ?
C46 C41 C42 C43 -6.9(5) . . . . ?
Si2 C41 C42 C43 163.4(3) . . . . ?
C46 C41 C42 C47 165.2(3) . . . . ?
Si2 C41 C42 C47 -24.5(5) . . . . ?
C41 C42 C43 C44 1.4(5) . . . . ?
C47 C42 C43 C44 -171.2(3) . . . . ?
C42 C43 C44 C45 3.1(5) . . . . ?
C42 C43 C44 C54 -179.4(3) . . . . ?
C43 C44 C45 C46 -2.1(5) . . . . ?
C54 C44 C45 C46 -179.5(3) . . . . ?
C44 C45 C46 C41 -3.4(5) . . . . ?
C44 C45 C46 C61 171.6(3) . . . . ?
C42 C41 C46 C45 7.9(5) . . . . ?
Si2 C41 C46 C45 -162.7(3) . . . . ?
C42 C41 C46 C61 -166.9(3) . . . . ?
Si2 C41 C46 C61 22.5(5) . . . . ?
C43 C42 C47 Si8 -64.7(4) . . . . ?
C41 C42 C47 Si8 123.1(3) . . . . ?
C43 C42 C47 Si7 65.0(4) . . . . ?
C41 C42 C47 Si7 -107.3(3) . . . . ?
C42 C47 Si8 C53 -66.9(3) . . . . ?
Si7 C47 Si8 C53 164.39(18) . . . . ?
C42 C47 Si8 C51 54.0(3) . . . . ?
Si7 C47 Si8 C51 -74.7(2) . . . . ?
C42 C47 Si8 C52 175.7(3) . . . . ?
Si7 C47 Si8 C52 47.0(2) . . . . ?
C43 C44 C54 C56 -64.7(6) . . . . ?
C45 C44 C54 C56 112.7(5) . . . . ?
C43 C44 C54 C58 115.0(5) . . . . ?
C45 C44 C54 C58 -67.6(6) . . . . ?
C43 C44 C54 C57 57.0(6) . . . . ?
C45 C44 C54 C57 -125.6(5) . . . . ?
C43 C44 C54 C59 -124.1(5) . . . . ?
C45 C44 C54 C59 53.3(6) . . . . ?
C43 C44 C54 C60 -5.5(6) . . . . ?
C45 C44 C54 C60 171.8(5) . . . . ?
C43 C44 C54 C55 176.0(5) . . . . ?
C45 C44 C54 C55 -6.7(6) . . . . ?
C45 C46 C61 Si9 69.6(4) . . . . ?
C41 C46 C61 Si9 -115.6(3) . . . . ?
C45 C46 C61 Si10 -61.9(4) . . . . ?
C41 C46 C61 Si10 112.9(3) . . . . ?
C46 C61 Si9 C64 -52.7(3) . . . . ?
Si10 C61 Si9 C64 78.1(3) . . . . ?
C46 C61 Si9 C63 69.9(4) . . . . ?
Si10 C61 Si9 C63 -159.2(2) . . . . ?
C46 C61 Si9 C62 -173.3(3) . . . . ?
Si10 C61 Si9 C62 -42.5(3) . . . . ?

_refine_diff_density_max         0.815
_refine_diff_density_min         -0.435
_refine_diff_density_rms         0.081

