# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_tn87a_a
_database_code_depnum_ccdc_archive 'CCDC 2095782'
loop_
_audit_author_name
_audit_author_address
'Takumi Nukazawa'
;Tohoku University
Japan
;
_audit_update_record             
;
2021-07-12 deposited with the CCDC.	2021-08-26 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          447
_chemical_formula_moiety         'C48 H106 Si12'
_chemical_formula_sum            'C48 H106 Si12'
_chemical_formula_weight         1020.40

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      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                   11.9028(5)
_cell_length_b                   12.0034(5)
_cell_length_c                   12.1944(5)
_cell_angle_alpha                79.1540(10)
_cell_angle_beta                 81.4440(10)
_cell_angle_gamma                62.7870(10)
_cell_volume                     1517.81(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7931
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      30.50

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.116
_exptl_crystal_F_000             562
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.286
_shelx_estimated_absorpt_T_min   0.945
_shelx_estimated_absorpt_T_max   0.972
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6906
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   'SADABS Sheldrick 1996'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            22960
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.705
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6982
_reflns_number_gt                6154
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0328P)²+0.6322P] 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         6982
_refine_ls_number_parameters     284
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0304
_refine_ls_wR_factor_ref         0.0786
_refine_ls_wR_factor_gt          0.0746
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_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 0.40783(3) 0.54764(3) 0.42746(3) 0.01222(9) Uani 1 1 d . . . . .
Si2 Si 0.61846(3) 0.41177(3) 0.38898(3) 0.00925(8) Uani 1 1 d . . . . .
C1 C 0.28163(13) 0.61458(13) 0.33222(12) 0.0154(3) Uani 1 1 d . . . . .
C2 C 0.19491(14) 0.66368(13) 0.27300(12) 0.0183(3) Uani 1 1 d . . . . .
C3 C 0.08667(15) 0.73059(14) 0.20327(14) 0.0249(3) Uani 1 1 d . . . . .
H3 H 0.017609 0.708068 0.237218 0.030 Uiso 1 1 calc R U . . .
H3A H 0.112314 0.702911 0.128206 0.030 Uiso 1 1 calc R U . . .
C4 C 0.03749(14) 0.87425(14) 0.19092(14) 0.0224(3) Uani 1 1 d . . . . .
H4 H -0.040671 0.915222 0.150280 0.027 Uiso 1 1 calc R U . . .
H4A H 0.015071 0.901065 0.266326 0.027 Uiso 1 1 calc R U . . .
C5 C 0.13289(15) 0.91995(14) 0.12875(13) 0.0216(3) Uani 1 1 d . . . . .
H5 H 0.154262 0.894747 0.052751 0.026 Uiso 1 1 calc R U . . .
H5A H 0.211595 0.878341 0.168655 0.026 Uiso 1 1 calc R U . . .
C6 C 0.08244(15) 1.06341(14) 0.11908(13) 0.0222(3) Uani 1 1 d . . . . .
H6 H 0.002232 1.104208 0.081438 0.027 Uiso 1 1 calc R U . . .
H6A H 0.062698 1.087593 0.195413 0.027 Uiso 1 1 calc R U . . .
C7 C 0.17249(16) 1.11503(15) 0.05515(14) 0.0268(4) Uani 1 1 d . . . . .
H7 H 0.198052 1.085027 -0.018989 0.032 Uiso 1 1 calc R U . . .
H7A H 0.126838 1.208500 0.042394 0.032 Uiso 1 1 calc R U . . .
C8 C 0.29053(18) 1.07659(17) 0.11449(17) 0.0362(4) Uani 1 1 d . . . . .
H8 H 0.266401 1.108322 0.186996 0.054 Uiso 1 1 calc R U . . .
H8A H 0.344204 1.112419 0.068617 0.054 Uiso 1 1 calc R U . . .
H8B H 0.337357 0.984167 0.126253 0.054 Uiso 1 1 calc R U . . .
C9 C 0.74274(12) 0.44569(12) 0.28407(11) 0.0115(3) Uani 1 1 d . . . . .
C10 C 0.79709(13) 0.32976(12) 0.21613(11) 0.0143(3) Uani 1 1 d . . . . .
H10 H 0.746319 0.352149 0.151100 0.017 Uiso 1 1 calc R U . . .
H10A H 0.885473 0.310353 0.187496 0.017 Uiso 1 1 calc R U . . .
C11 C 0.79373(13) 0.21277(12) 0.28991(12) 0.0143(3) Uani 1 1 d . . . . .
H11 H 0.858047 0.179433 0.345628 0.017 Uiso 1 1 calc R U . . .
H11A H 0.814357 0.146019 0.243007 0.017 Uiso 1 1 calc R U . . .
C12 C 0.65928(12) 0.24760(12) 0.35170(11) 0.0114(3) Uani 1 1 d . . . . .
Si3 Si 0.68876(4) 0.59823(3) 0.17833(3) 0.01302(9) Uani 1 1 d . . . . .
C13 C 0.77721(15) 0.55772(14) 0.03891(12) 0.0210(3) Uani 1 1 d . . . . .
H13 H 0.751384 0.502759 0.009907 0.032 Uiso 1 1 calc R U . . .
H13A H 0.868452 0.513774 0.048112 0.032 Uiso 1 1 calc R U . . .
H13B H 0.757818 0.635533 -0.013836 0.032 Uiso 1 1 calc R U . . .
C14 C 0.72117(15) 0.72756(13) 0.21100(13) 0.0189(3) Uani 1 1 d . . . . .
H14 H 0.688679 0.800993 0.153091 0.028 Uiso 1 1 calc R U . . .
H14A H 0.812671 0.697056 0.212939 0.028 Uiso 1 1 calc R U . . .
H14B H 0.679040 0.751971 0.283988 0.028 Uiso 1 1 calc R U . . .
C15 C 0.51606(14) 0.68158(13) 0.15404(13) 0.0194(3) Uani 1 1 d . . . . .
H15 H 0.467051 0.712480 0.223094 0.029 Uiso 1 1 calc R U . . .
H15A H 0.490331 0.622719 0.131882 0.029 Uiso 1 1 calc R U . . .
H15B H 0.500374 0.753183 0.094437 0.029 Uiso 1 1 calc R U . . .
Si4 Si 0.88141(4) 0.43459(3) 0.35520(3) 0.01318(9) Uani 1 1 d . . . . .
C16 C 0.83050(14) 0.56103(13) 0.44748(12) 0.0179(3) Uani 1 1 d . . . . .
H16 H 0.860996 0.522043 0.522057 0.027 Uiso 1 1 calc R U . . .
H16A H 0.737851 0.606782 0.453593 0.027 Uiso 1 1 calc R U . . .
H16B H 0.866133 0.620148 0.414896 0.027 Uiso 1 1 calc R U . . .
C17 C 1.00921(14) 0.44349(15) 0.24742(13) 0.0216(3) Uani 1 1 d . . . . .
H17 H 1.077147 0.442350 0.284895 0.032 Uiso 1 1 calc R U . . .
H17A H 0.973412 0.521910 0.195280 0.032 Uiso 1 1 calc R U . . .
H17B H 1.043517 0.370835 0.206046 0.032 Uiso 1 1 calc R U . . .
Si5 Si 0.54898(4) 0.25252(3) 0.24933(3) 0.01375(9) Uani 1 1 d . . . . .
C18 C 0.96860(14) 0.27989(13) 0.44368(13) 0.0204(3) Uani 1 1 d . . . . .
H18 H 1.033828 0.284133 0.480850 0.031 Uiso 1 1 calc R U . . .
H18A H 1.008594 0.212311 0.396264 0.031 Uiso 1 1 calc R U . . .
H18B H 0.909012 0.262252 0.500244 0.031 Uiso 1 1 calc R U . . .
C19 C 0.40442(15) 0.23858(15) 0.31961(13) 0.0230(3) Uani 1 1 d . . . . .
H19 H 0.361888 0.301216 0.371662 0.035 Uiso 1 1 calc R U . . .
H19A H 0.428909 0.153463 0.360952 0.035 Uiso 1 1 calc R U . . .
H19B H 0.346678 0.253736 0.263064 0.035 Uiso 1 1 calc R U . . .
C20 C 0.63448(16) 0.12126(14) 0.16035(13) 0.0235(3) Uani 1 1 d . . . . .
H20 H 0.677253 0.040911 0.208461 0.035 Uiso 1 1 calc R U . . .
H20A H 0.697296 0.138544 0.107935 0.035 Uiso 1 1 calc R U . . .
H20B H 0.573397 0.115981 0.118324 0.035 Uiso 1 1 calc R U . . .
C21 C 0.48799(15) 0.39847(14) 0.14481(13) 0.0219(3) Uani 1 1 d . . . . .
H21 H 0.438896 0.389258 0.092314 0.033 Uiso 1 1 calc R U . . .
H21A H 0.559421 0.411066 0.103578 0.033 Uiso 1 1 calc R U . . .
H21B H 0.433656 0.471614 0.183717 0.033 Uiso 1 1 calc R U . . .
Si6 Si 0.67643(4) 0.11945(3) 0.47536(3) 0.01238(9) Uani 1 1 d . . . . .
C22 C 0.80667(14) 0.08665(13) 0.56397(13) 0.0191(3) Uani 1 1 d . . . . .
H22 H 0.789775 0.164048 0.592987 0.029 Uiso 1 1 calc R U . . .
H22A H 0.887525 0.058013 0.518664 0.029 Uiso 1 1 calc R U . . .
H22B H 0.810861 0.020726 0.626644 0.029 Uiso 1 1 calc R U . . .
C23 C 0.72063(15) -0.03557(13) 0.42637(13) 0.0193(3) Uani 1 1 d . . . . .
H23 H 0.736087 -0.101696 0.491070 0.029 Uiso 1 1 calc R U . . .
H23A H 0.797540 -0.057489 0.375791 0.029 Uiso 1 1 calc R U . . .
H23B H 0.651338 -0.028421 0.386674 0.029 Uiso 1 1 calc R U . . .
C24 C 0.53162(14) 0.15714(14) 0.57346(12) 0.0192(3) Uani 1 1 d . . . . .
H24 H 0.550951 0.093321 0.640104 0.029 Uiso 1 1 calc R U . . .
H24A H 0.464120 0.157167 0.536188 0.029 Uiso 1 1 calc R U . . .
H24B H 0.503745 0.240728 0.595595 0.029 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 1.8207(15) . ?
Si1 Si2 2.3160(5) . ?
Si1 Si2 2.3256(5) 2_666 ?
Si1 Si1 2.7112(7) 2_666 ?
Si2 C12 1.9292(13) . ?
Si2 C9 1.9448(14) . ?
C1 C2 1.200(2) . ?
C2 C3 1.466(2) . ?
C3 C4 1.531(2) . ?
C3 H3 0.9900 . ?
C3 H3A 0.9900 . ?
C4 C5 1.524(2) . ?
C4 H4 0.9900 . ?
C4 H4A 0.9900 . ?
C5 C6 1.529(2) . ?
C5 H5 0.9900 . ?
C5 H5A 0.9900 . ?
C6 C7 1.522(2) . ?
C6 H6 0.9900 . ?
C6 H6A 0.9900 . ?
C7 C8 1.515(2) . ?
C7 H7 0.9900 . ?
C7 H7A 0.9900 . ?
C8 H8 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C9 C10 1.5788(17) . ?
C9 Si4 1.9172(14) . ?
C9 Si3 1.9262(13) . ?
C10 C11 1.5324(18) . ?
C10 H10 0.9900 . ?
C10 H10A 0.9900 . ?
C11 C12 1.5657(18) . ?
C11 H11 0.9900 . ?
C11 H11A 0.9900 . ?
C12 Si6 1.9008(14) . ?
C12 Si5 1.9169(14) . ?
Si3 C15 1.8716(15) . ?
Si3 C14 1.8826(14) . ?
Si3 C13 1.8829(15) . ?
C13 H13 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C14 H14 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C15 H15 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
Si4 C18 1.8724(15) . ?
Si4 C16 1.8803(14) . ?
Si4 C17 1.8852(15) . ?
C16 H16 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C17 H17 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
Si5 C21 1.8688(15) . ?
Si5 C19 1.8692(16) . ?
Si5 C20 1.8826(15) . ?
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 H21 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
Si6 C24 1.8665(15) . ?
Si6 C22 1.8724(15) . ?
Si6 C23 1.8776(14) . ?
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 Si2 126.92(5) . . ?
C1 Si1 Si2 124.56(5) . 2_666 ?
Si2 Si1 Si2 108.519(18) . 2_666 ?
C1 Si1 Si1 178.59(5) . 2_666 ?
Si2 Si1 Si1 54.423(15) . 2_666 ?
Si2 Si1 Si1 54.095(15) 2_666 2_666 ?
C12 Si2 C9 97.62(6) . . ?
C12 Si2 Si1 118.52(4) . . ?
C9 Si2 Si1 128.19(4) . . ?
C12 Si2 Si1 122.77(4) . 2_666 ?
C9 Si2 Si1 119.84(4) . 2_666 ?
Si1 Si2 Si1 71.481(18) . 2_666 ?
C2 C1 Si1 176.51(13) . . ?
C1 C2 C3 176.65(16) . . ?
C2 C3 C4 111.99(13) . . ?
C2 C3 H3 109.2 . . ?
C4 C3 H3 109.2 . . ?
C2 C3 H3A 109.2 . . ?
C4 C3 H3A 109.2 . . ?
H3 C3 H3A 107.9 . . ?
C5 C4 C3 113.31(13) . . ?
C5 C4 H4 108.9 . . ?
C3 C4 H4 108.9 . . ?
C5 C4 H4A 108.9 . . ?
C3 C4 H4A 108.9 . . ?
H4 C4 H4A 107.7 . . ?
C4 C5 C6 112.34(13) . . ?
C4 C5 H5 109.1 . . ?
C6 C5 H5 109.1 . . ?
C4 C5 H5A 109.1 . . ?
C6 C5 H5A 109.1 . . ?
H5 C5 H5A 107.9 . . ?
C7 C6 C5 114.72(13) . . ?
C7 C6 H6 108.6 . . ?
C5 C6 H6 108.6 . . ?
C7 C6 H6A 108.6 . . ?
C5 C6 H6A 108.6 . . ?
H6 C6 H6A 107.6 . . ?
C8 C7 C6 113.85(14) . . ?
C8 C7 H7 108.8 . . ?
C6 C7 H7 108.8 . . ?
C8 C7 H7A 108.8 . . ?
C6 C7 H7A 108.8 . . ?
H7 C7 H7A 107.7 . . ?
C7 C8 H8 109.5 . . ?
C7 C8 H8A 109.5 . . ?
H8 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C10 C9 Si4 106.93(9) . . ?
C10 C9 Si3 107.95(9) . . ?
Si4 C9 Si3 106.85(6) . . ?
C10 C9 Si2 101.18(8) . . ?
Si4 C9 Si2 113.22(7) . . ?
Si3 C9 Si2 119.82(7) . . ?
C11 C10 C9 111.02(11) . . ?
C11 C10 H10 109.4 . . ?
C9 C10 H10 109.4 . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10A 109.4 . . ?
H10 C10 H10A 108.0 . . ?
C10 C11 C12 110.18(11) . . ?
C10 C11 H11 109.6 . . ?
C12 C11 H11 109.6 . . ?
C10 C11 H11A 109.6 . . ?
C12 C11 H11A 109.6 . . ?
H11 C11 H11A 108.1 . . ?
C11 C12 Si6 107.51(9) . . ?
C11 C12 Si5 108.48(9) . . ?
Si6 C12 Si5 110.34(6) . . ?
C11 C12 Si2 100.71(8) . . ?
Si6 C12 Si2 115.64(7) . . ?
Si5 C12 Si2 113.35(7) . . ?
C15 Si3 C14 102.97(7) . . ?
C15 Si3 C13 106.96(7) . . ?
C14 Si3 C13 105.26(7) . . ?
C15 Si3 C9 116.30(6) . . ?
C14 Si3 C9 116.12(6) . . ?
C13 Si3 C9 108.37(6) . . ?
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 . . ?
Si3 C14 H14 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
H14 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C15 H15 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
H15 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C18 Si4 C16 106.61(7) . . ?
C18 Si4 C17 102.38(7) . . ?
C16 Si4 C17 109.65(7) . . ?
C18 Si4 C9 114.70(6) . . ?
C16 Si4 C9 112.40(6) . . ?
C17 Si4 C9 110.55(7) . . ?
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 . . ?
C21 Si5 C19 104.98(7) . . ?
C21 Si5 C20 103.70(7) . . ?
C19 Si5 C20 107.66(7) . . ?
C21 Si5 C12 115.36(6) . . ?
C19 Si5 C12 113.60(6) . . ?
C20 Si5 C12 110.77(7) . . ?
Si4 C18 H18 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
H18 C18 H18A 109.5 . . ?
Si4 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 . . ?
Si5 C21 H21 109.5 . . ?
Si5 C21 H21A 109.5 . . ?
H21 C21 H21A 109.5 . . ?
Si5 C21 H21B 109.5 . . ?
H21 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C24 Si6 C22 105.33(7) . . ?
C24 Si6 C23 108.48(7) . . ?
C22 Si6 C23 104.81(7) . . ?
C24 Si6 C12 113.99(6) . . ?
C22 Si6 C12 112.82(6) . . ?
C23 Si6 C12 110.84(6) . . ?
Si6 C22 H22 109.5 . . ?
Si6 C22 H22A 109.5 . . ?
H22 C22 H22A 109.5 . . ?
Si6 C22 H22B 109.5 . . ?
H22 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si6 C23 H23 109.5 . . ?
Si6 C23 H23A 109.5 . . ?
H23 C23 H23A 109.5 . . ?
Si6 C23 H23B 109.5 . . ?
H23 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si6 C24 H24 109.5 . . ?
Si6 C24 H24A 109.5 . . ?
H24 C24 H24A 109.5 . . ?
Si6 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
C2 C3 C4 C5 64.63(18) . . . . ?
C3 C4 C5 C6 -179.10(13) . . . . ?
C4 C5 C6 C7 -178.56(13) . . . . ?
C5 C6 C7 C8 -67.81(19) . . . . ?
Si4 C9 C10 C11 87.49(11) . . . . ?
Si3 C9 C10 C11 -157.86(9) . . . . ?
Si2 C9 C10 C11 -31.22(12) . . . . ?
C9 C10 C11 C12 49.80(15) . . . . ?
C10 C11 C12 Si6 -160.84(9) . . . . ?
C10 C11 C12 Si5 79.84(11) . . . . ?
C10 C11 C12 Si2 -39.40(12) . . . . ?

_refine_diff_density_max         0.459
_refine_diff_density_min         -0.229
_refine_diff_density_rms         0.052



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexamethyldisiloxane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# 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_tn53b_a
_database_code_depnum_ccdc_archive 'CCDC 2095783'
loop_
_audit_author_name
_audit_author_address
'Takumi Nukazawa'
;Tohoku University
Japan
;
_audit_update_record             
;
2021-07-12 deposited with the CCDC.	2021-08-26 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          336
_chemical_formula_moiety         'C48 H90 Si12'
_chemical_formula_sum            'C48 H90 Si12'
_chemical_formula_weight         1004.27

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                   10.9137(5)
_cell_length_b                   23.4184(12)
_cell_length_c                   11.4842(6)
_cell_angle_alpha                90
_cell_angle_beta                 90.4870(10)
_cell_angle_gamma                90
_cell_volume                     2935.0(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9872
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      25.45

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.136
_exptl_crystal_F_000             1092
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.295
_shelx_estimated_absorpt_T_min   0.971
_shelx_estimated_absorpt_T_max   0.985
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6526
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS Sheldrick 1996'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            35907
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.739
_diffrn_reflns_theta_max         25.462
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5427
_reflns_number_gt                4708
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0485P)²+2.2649P] 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         5427
_refine_ls_number_parameters     283
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0400
_refine_ls_wR_factor_ref         0.1013
_refine_ls_wR_factor_gt          0.0979
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.076
_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 0.40562(5) 0.48072(2) 0.56421(5) 0.01724(14) Uani 1 1 d . . . . .
Si2 Si 0.46710(5) 0.57527(2) 0.55029(4) 0.01278(13) Uani 1 1 d . . . . .
C1 C 0.2833(2) 0.45354(9) 0.6549(2) 0.0232(5) Uani 1 1 d . . . . .
C2 C 0.2102(2) 0.43505(9) 0.7238(2) 0.0243(5) Uani 1 1 d . . . . .
C3 C 0.1279(2) 0.41237(10) 0.80918(19) 0.0236(5) Uani 1 1 d . . . . .
C4 C 0.0389(2) 0.44705(11) 0.8596(2) 0.0308(5) Uani 1 1 d . . . . .
H4 H 0.031167 0.485802 0.836236 0.037 Uiso 1 1 calc R U . . .
C5 C -0.0380(2) 0.42507(13) 0.9438(2) 0.0390(7) Uani 1 1 d . . . . .
H5 H -0.098643 0.448722 0.977834 0.047 Uiso 1 1 calc R U . . .
C6 C -0.0266(3) 0.36885(13) 0.9783(2) 0.0421(7) Uani 1 1 d . . . . .
H6 H -0.079055 0.353958 1.036515 0.050 Uiso 1 1 calc R U . . .
C7 C 0.0604(3) 0.33439(12) 0.9286(2) 0.0416(7) Uani 1 1 d . . . . .
H7 H 0.067929 0.295713 0.952591 0.050 Uiso 1 1 calc R U . . .
C8 C 0.1370(2) 0.35573(11) 0.8440(2) 0.0333(6) Uani 1 1 d . . . . .
H8 H 0.196379 0.331533 0.809464 0.040 Uiso 1 1 calc R U . . .
C9 C 0.35679(19) 0.63115(8) 0.48463(18) 0.0177(4) Uani 1 1 d . . . . .
C10 C 0.4114(2) 0.68759(9) 0.53695(19) 0.0220(5) Uani 1 1 d . . . . .
H10 H 0.481934 0.700177 0.489757 0.026 Uiso 1 1 calc R U . . .
H10A H 0.348578 0.718067 0.534542 0.026 Uiso 1 1 calc R U . . .
C11 C 0.4530(2) 0.67770(9) 0.66252(19) 0.0211(5) Uani 1 1 d . . . . .
H11 H 0.380208 0.673436 0.712638 0.025 Uiso 1 1 calc R U . . .
H11A H 0.499858 0.711335 0.690169 0.025 Uiso 1 1 calc R U . . .
C12 C 0.53539(19) 0.62276(8) 0.67360(17) 0.0163(4) Uani 1 1 d . . . . .
Si3 Si 0.52911(7) 0.59811(3) 0.83304(5) 0.02554(16) Uani 1 1 d . . . . .
C13 C 0.4160(2) 0.54127(11) 0.8687(2) 0.0336(6) Uani 1 1 d . . . . .
H13 H 0.418626 0.533612 0.952598 0.050 Uiso 1 1 calc R U . . .
H13A H 0.436397 0.506329 0.826099 0.050 Uiso 1 1 calc R U . . .
H13B H 0.333615 0.553974 0.846231 0.050 Uiso 1 1 calc R U . . .
Si4 Si 0.70068(5) 0.64491(2) 0.64498(5) 0.02010(15) Uani 1 1 d . . . . .
C14 C 0.6764(3) 0.57029(11) 0.8982(2) 0.0377(6) Uani 1 1 d . . . . .
H14 H 0.666369 0.564997 0.982228 0.057 Uiso 1 1 calc R U . . .
H14A H 0.742348 0.597761 0.884142 0.057 Uiso 1 1 calc R U . . .
H14B H 0.696992 0.533649 0.862119 0.057 Uiso 1 1 calc R U . . .
C15 C 0.4850(4) 0.66114(13) 0.9244(2) 0.0599(10) Uani 1 1 d . . . . .
H15 H 0.398758 0.670571 0.909969 0.090 Uiso 1 1 calc R U . . .
H15A H 0.536367 0.693929 0.904041 0.090 Uiso 1 1 calc R U . . .
H15B H 0.496983 0.651833 1.006918 0.090 Uiso 1 1 calc R U . . .
C16 C 0.7241(2) 0.68368(10) 0.5044(2) 0.0286(5) Uani 1 1 d . . . . .
H16 H 0.811787 0.690803 0.493556 0.043 Uiso 1 1 calc R U . . .
H16A H 0.680146 0.720142 0.506278 0.043 Uiso 1 1 calc R U . . .
H16B H 0.692782 0.660388 0.439841 0.043 Uiso 1 1 calc R U . . .
C17 C 0.7558(2) 0.69846(10) 0.7559(2) 0.0308(6) Uani 1 1 d . . . . .
H17 H 0.747394 0.682383 0.834188 0.046 Uiso 1 1 calc R U . . .
H17A H 0.706577 0.733343 0.749507 0.046 Uiso 1 1 calc R U . . .
H17B H 0.842018 0.707521 0.741650 0.046 Uiso 1 1 calc R U . . .
C18 C 0.8055(2) 0.58160(10) 0.6444(2) 0.0308(5) Uani 1 1 d . . . . .
H18 H 0.839417 0.576570 0.566355 0.046 Uiso 1 1 calc R U . . .
H18A H 0.759588 0.547328 0.666249 0.046 Uiso 1 1 calc R U . . .
H18B H 0.872492 0.587764 0.700449 0.046 Uiso 1 1 calc R U . . .
Si5 Si 0.19174(5) 0.62251(3) 0.53596(6) 0.02317(15) Uani 1 1 d . . . . .
C19 C 0.1041(2) 0.57074(11) 0.4439(2) 0.0355(6) Uani 1 1 d . . . . .
H19 H 0.150710 0.535163 0.437088 0.053 Uiso 1 1 calc R U . . .
H19A H 0.090575 0.587094 0.366324 0.053 Uiso 1 1 calc R U . . .
H19B H 0.024840 0.562794 0.480079 0.053 Uiso 1 1 calc R U . . .
C20 C 0.1746(2) 0.59743(11) 0.6896(2) 0.0317(6) Uani 1 1 d . . . . .
H20 H 0.087525 0.596378 0.709605 0.048 Uiso 1 1 calc R U . . .
H20A H 0.217750 0.623705 0.742265 0.048 Uiso 1 1 calc R U . . .
H20B H 0.209629 0.559078 0.697572 0.048 Uiso 1 1 calc R U . . .
Si6 Si 0.36045(6) 0.63815(3) 0.31947(5) 0.02278(15) Uani 1 1 d . . . . .
C21 C 0.1085(2) 0.69255(11) 0.5349(3) 0.0368(6) Uani 1 1 d . . . . .
H21 H 0.112622 0.709466 0.456973 0.055 Uiso 1 1 calc R U . . .
H21A H 0.146721 0.718447 0.591537 0.055 Uiso 1 1 calc R U . . .
H21B H 0.022579 0.686354 0.555623 0.055 Uiso 1 1 calc R U . . .
C22 C 0.2479(3) 0.69271(11) 0.2650(2) 0.0378(6) Uani 1 1 d . . . . .
H22 H 0.257151 0.727979 0.310129 0.057 Uiso 1 1 calc R U . . .
H22A H 0.164405 0.678014 0.273748 0.057 Uiso 1 1 calc R U . . .
H22B H 0.263344 0.700628 0.182611 0.057 Uiso 1 1 calc R U . . .
C23 C 0.3294(2) 0.57053(10) 0.2378(2) 0.0289(5) Uani 1 1 d . . . . .
H23 H 0.346695 0.576332 0.155058 0.043 Uiso 1 1 calc R U . . .
H23A H 0.243267 0.559767 0.247052 0.043 Uiso 1 1 calc R U . . .
H23B H 0.382019 0.540042 0.268548 0.043 Uiso 1 1 calc R U . . .
C24 C 0.5119(2) 0.66434(10) 0.2685(2) 0.0302(5) Uani 1 1 d . . . . .
H24 H 0.574742 0.635536 0.285330 0.045 Uiso 1 1 calc R U . . .
H24A H 0.532642 0.699925 0.309031 0.045 Uiso 1 1 calc R U . . .
H24B H 0.507985 0.671328 0.184457 0.045 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 1.816(2) . ?
Si1 Si2 2.3195(8) . ?
Si1 Si2 2.3257(8) 3_666 ?
Si1 Si1 2.6992(11) 3_666 ?
Si2 C9 1.927(2) . ?
Si2 C12 1.944(2) . ?
C1 C2 1.208(3) . ?
C2 C3 1.438(3) . ?
C3 C8 1.389(3) . ?
C3 C4 1.395(3) . ?
C4 C5 1.385(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.380(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.374(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.381(4) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.567(3) . ?
C9 Si6 1.905(2) . ?
C9 Si5 1.911(2) . ?
C10 C11 1.526(3) . ?
C10 H10 0.9900 . ?
C10 H10A 0.9900 . ?
C11 C12 1.574(3) . ?
C11 H11 0.9900 . ?
C11 H11A 0.9900 . ?
C12 Si4 1.908(2) . ?
C12 Si3 1.922(2) . ?
Si3 C13 1.863(3) . ?
Si3 C15 1.876(3) . ?
Si3 C14 1.883(3) . ?
C13 H13 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
Si4 C16 1.871(2) . ?
Si4 C18 1.873(2) . ?
Si4 C17 1.882(2) . ?
C14 H14 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
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 . ?
Si5 C19 1.867(2) . ?
Si5 C20 1.871(3) . ?
Si5 C21 1.875(2) . ?
C19 H19 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C20 H20 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
Si6 C24 1.862(2) . ?
Si6 C23 1.870(2) . ?
Si6 C22 1.876(2) . ?
C21 H21 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
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 Si2 126.07(7) . . ?
C1 Si1 Si2 124.92(7) . 3_666 ?
Si2 Si1 Si2 108.95(3) . 3_666 ?
C1 Si1 Si1 177.59(9) . 3_666 ?
Si2 Si1 Si1 54.58(2) . 3_666 ?
Si2 Si1 Si1 54.37(2) 3_666 3_666 ?
C9 Si2 C12 97.52(9) . . ?
C9 Si2 Si1 119.67(7) . . ?
C12 Si2 Si1 127.24(7) . . ?
C9 Si2 Si1 122.39(7) . 3_666 ?
C12 Si2 Si1 120.48(7) . 3_666 ?
Si1 Si2 Si1 71.05(3) . 3_666 ?
C2 C1 Si1 173.7(2) . . ?
C1 C2 C3 177.4(3) . . ?
C8 C3 C4 119.0(2) . . ?
C8 C3 C2 120.4(2) . . ?
C4 C3 C2 120.6(2) . . ?
C5 C4 C3 120.1(2) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 120.1(3) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C7 C6 C5 120.1(2) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C6 C7 C8 120.3(3) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C7 C8 C3 120.4(2) . . ?
C7 C8 H8 119.8 . . ?
C3 C8 H8 119.8 . . ?
C10 C9 Si6 107.34(14) . . ?
C10 C9 Si5 109.12(14) . . ?
Si6 C9 Si5 110.12(10) . . ?
C10 C9 Si2 100.85(13) . . ?
Si6 C9 Si2 115.45(11) . . ?
Si5 C9 Si2 113.25(10) . . ?
C11 C10 C9 110.08(17) . . ?
C11 C10 H10 109.6 . . ?
C9 C10 H10 109.6 . . ?
C11 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
H10 C10 H10A 108.2 . . ?
C10 C11 C12 111.44(17) . . ?
C10 C11 H11 109.3 . . ?
C12 C11 H11 109.3 . . ?
C10 C11 H11A 109.3 . . ?
C12 C11 H11A 109.3 . . ?
H11 C11 H11A 108.0 . . ?
C11 C12 Si4 107.70(13) . . ?
C11 C12 Si3 107.31(14) . . ?
Si4 C12 Si3 106.69(10) . . ?
C11 C12 Si2 101.15(13) . . ?
Si4 C12 Si2 112.78(10) . . ?
Si3 C12 Si2 120.38(10) . . ?
C13 Si3 C15 105.41(15) . . ?
C13 Si3 C14 103.30(11) . . ?
C15 Si3 C14 105.78(15) . . ?
C13 Si3 C12 116.95(10) . . ?
C15 Si3 C12 107.94(11) . . ?
C14 Si3 C12 116.44(11) . . ?
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 . . ?
C16 Si4 C18 107.04(12) . . ?
C16 Si4 C17 102.42(11) . . ?
C18 Si4 C17 109.75(11) . . ?
C16 Si4 C12 114.64(10) . . ?
C18 Si4 C12 111.34(10) . . ?
C17 Si4 C12 111.20(10) . . ?
Si3 C14 H14 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
H14 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C15 H15 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
H15 C15 H15A 109.5 . . ?
Si3 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 . . ?
Si4 C18 H18 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
H18 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
H18 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C19 Si5 C20 105.98(12) . . ?
C19 Si5 C21 108.56(12) . . ?
C20 Si5 C21 103.21(12) . . ?
C19 Si5 C9 111.98(10) . . ?
C20 Si5 C9 115.22(10) . . ?
C21 Si5 C9 111.31(11) . . ?
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 . . ?
C24 Si6 C23 106.20(11) . . ?
C24 Si6 C22 104.56(12) . . ?
C23 Si6 C22 107.11(12) . . ?
C24 Si6 C9 111.55(10) . . ?
C23 Si6 C9 114.92(10) . . ?
C22 Si6 C9 111.81(11) . . ?
Si5 C21 H21 109.5 . . ?
Si5 C21 H21A 109.5 . . ?
H21 C21 H21A 109.5 . . ?
Si5 C21 H21B 109.5 . . ?
H21 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si6 C22 H22 109.5 . . ?
Si6 C22 H22A 109.5 . . ?
H22 C22 H22A 109.5 . . ?
Si6 C22 H22B 109.5 . . ?
H22 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si6 C23 H23 109.5 . . ?
Si6 C23 H23A 109.5 . . ?
H23 C23 H23A 109.5 . . ?
Si6 C23 H23B 109.5 . . ?
H23 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si6 C24 H24 109.5 . . ?
Si6 C24 H24A 109.5 . . ?
H24 C24 H24A 109.5 . . ?
Si6 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
C8 C3 C4 C5 0.5(4) . . . . ?
C2 C3 C4 C5 -178.5(2) . . . . ?
C3 C4 C5 C6 0.2(4) . . . . ?
C4 C5 C6 C7 -0.5(4) . . . . ?
C5 C6 C7 C8 0.0(4) . . . . ?
C6 C7 C8 C3 0.7(4) . . . . ?
C4 C3 C8 C7 -1.0(4) . . . . ?
C2 C3 C8 C7 178.0(2) . . . . ?
Si6 C9 C10 C11 -160.18(15) . . . . ?
Si5 C9 C10 C11 80.50(18) . . . . ?
Si2 C9 C10 C11 -38.96(19) . . . . ?
C9 C10 C11 C12 49.4(2) . . . . ?
C10 C11 C12 Si4 87.34(18) . . . . ?
C10 C11 C12 Si3 -158.13(15) . . . . ?
C10 C11 C12 Si2 -31.16(19) . . . . ?

_refine_diff_density_max         0.532
_refine_diff_density_min         -0.281
_refine_diff_density_rms         0.064



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
