# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_1_a_sq
_audit_block_doi                 10.5517/ccdc.csd.cc2nrmgj
_database_code_depnum_ccdc_archive 'CCDC 2465568'
loop_
_audit_author_name
_audit_author_address
'Huanyu Sun'
;Nanjing University of Science and Technology
China
;
_audit_update_record             
;
2025-06-19 deposited with the CCDC.	2025-10-07 downloaded from the CCDC.
;
_audit_creation_date             2025-06-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C6 H11 N9), 2(Cl), H2 O'
_chemical_formula_sum            'C12 H24 Cl2 N18 O'
_chemical_formula_weight         507.39
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   16.7890(2)
_cell_length_b                   10.83470(10)
_cell_length_c                   15.9281(2)
_cell_angle_alpha                90
_cell_angle_beta                 118.1790(10)
_cell_angle_gamma                90
_cell_volume                     2553.97(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5669
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      72.18
_cell_measurement_theta_min      5.06
_shelx_estimated_absorpt_T_max   0.815
_shelx_estimated_absorpt_T_min   0.741
_exptl_absorpt_coefficient_mu    2.661
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   0.864
_exptl_transmission_factor_min   0.864
_diffrn_reflns_av_R_equivalents  0.0694
_diffrn_reflns_av_unetI/netI     0.0571
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8528
_diffrn_reflns_point_group_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.177
_diffrn_reflns_theta_min         5.059
_diffrn_ambient_temperature      273(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2304
_reflns_number_total             2434
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    ?
_refine_diff_density_max         1.002
_refine_diff_density_min         -0.594
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         2434
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0711
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1225P)²+4.7989P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2130
_refine_ls_wR_factor_ref         0.2141
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: O1(0.5) H1D(0.5) H1E(0.5)
2.a Riding coordinates:
 N9(H9A,H9B), O1(H1D,H1E)
2.b X=CH2 refined with riding coordinates:
 N5(H5A,H5B), N6(H6A,H6B), N8(H8A,H8B)
2.c Idealised Me refined as rotating group:
 N1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
C2 C 0.47420(17) 0.6229(2) 0.62825(19) 0.0288(6) Uani 1 1 d . . . . .
C5 C 0.61808(17) 0.3895(2) 0.61606(18) 0.0272(6) Uani 1 1 d . . . . .
C3 C 0.48946(16) 0.4980(2) 0.62174(18) 0.0276(5) Uani 1 1 d . . . . .
C1 C 0.55019(16) 0.6854(2) 0.63153(18) 0.0274(5) Uani 1 1 d . . . . .
C6 C 0.62918(17) 0.1770(2) 0.62064(19) 0.0301(6) Uani 1 1 d . . . . .
C4 C 0.39754(18) 0.6796(3) 0.6255(2) 0.0346(6) Uani 1 1 d . . . . .
Cl1 Cl 0.75587(5) 0.88345(6) 0.63731(6) 0.0435(3) Uani 1 1 d . . . . .
N1 N 0.56119(16) 0.8116(2) 0.63452(18) 0.0346(5) Uani 1 1 d . . . . .
H1A H 0.6185 0.8293 0.6511 0.052 Uiso 1 1 calc R U . . .
H1B H 0.5469 0.8436 0.6771 0.052 Uiso 1 1 calc R U . . .
H1C H 0.5253 0.8433 0.5773 0.052 Uiso 1 1 calc R U . . .
N3 N 0.60856(15) 0.60948(19) 0.62632(17) 0.0288(5) Uani 1 1 d . . . . .
N4 N 0.57042(13) 0.4925(2) 0.61925(15) 0.0273(5) Uani 1 1 d . . . . .
N5 N 0.43967(17) 0.4004(2) 0.6169(2) 0.0431(7) Uani 1 1 d . . . . .
H5A H 0.4574 0.3276 0.6119 0.052 Uiso 1 1 calc R U . . .
H5B H 0.3897 0.4100 0.6189 0.052 Uiso 1 1 calc R U . . .
N6 N 0.69467(15) 0.4135(2) 0.61418(18) 0.0339(5) Uani 1 1 d . . . . .
H6A H 0.7263 0.3540 0.6096 0.041 Uiso 1 1 calc R U . . .
H6B H 0.7127 0.4885 0.6175 0.041 Uiso 1 1 calc R U . . .
N7 N 0.58136(15) 0.2821(2) 0.61171(18) 0.0339(5) Uani 1 1 d . . . . .
N8 N 0.70337(16) 0.1530(2) 0.70029(19) 0.0396(6) Uani 1 1 d . . . . .
H8A H 0.7310 0.0840 0.7069 0.048 Uiso 1 1 calc R U . . .
H8B H 0.7242 0.2064 0.7456 0.048 Uiso 1 1 calc R U . . .
N9 N 0.59602(19) 0.0976(2) 0.5506(2) 0.0448(7) Uani 1 1 d . . . . .
H9A H 0.5560 0.0496 0.5566 0.054 Uiso 1 1 d R U . . .
H9B H 0.6406 0.0514 0.5523 0.054 Uiso 1 1 d R U . . .
N2 N 0.3368(2) 0.7316(3) 0.6228(2) 0.0551(8) Uani 1 1 d . . . . .
O1 O 0.8069(5) 0.6123(4) 0.5885(4) 0.0571(15) Uani 0.5 1 d . . P . .
H1D H 0.8021 0.6630 0.6267 0.086 Uiso 0.5 1 d R U P . .
H1E H 0.7783 0.6463 0.5342 0.086 Uiso 0.5 1 d 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
C2 C3 1.390(4) . ?
C2 C1 1.424(4) . ?
C2 C4 1.408(3) . ?
C5 N4 1.388(3) . ?
C5 N6 1.326(3) . ?
C5 N7 1.303(3) . ?
C3 N4 1.380(3) . ?
C3 N5 1.327(4) . ?
C1 N1 1.377(4) . ?
C1 N3 1.312(3) . ?
C6 N7 1.362(3) . ?
C6 N8 1.318(4) . ?
C6 N9 1.306(4) . ?
C4 N2 1.148(4) . ?
N1 H1A 0.8900 . ?
N1 H1B 0.8900 . ?
N1 H1C 0.8900 . ?
N3 N4 1.400(3) . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N6 H6A 0.8600 . ?
N6 H6B 0.8600 . ?
N8 H8A 0.8600 . ?
N8 H8B 0.8600 . ?
N9 H9A 0.8899 . ?
N9 H9B 0.8901 . ?
O1 H1D 0.8501 . ?
O1 H1E 0.8501 . ?

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
C3 C2 C1 105.8(2) . . ?
C3 C2 C4 128.4(3) . . ?
C4 C2 C1 125.7(2) . . ?
N6 C5 N4 115.2(2) . . ?
N7 C5 N4 117.0(2) . . ?
N7 C5 N6 127.8(2) . . ?
N4 C3 C2 105.2(2) . . ?
N5 C3 C2 130.3(2) . . ?
N5 C3 N4 124.5(2) . . ?
N1 C1 C2 125.3(2) . . ?
N3 C1 C2 112.5(2) . . ?
N3 C1 N1 122.2(2) . . ?
N8 C6 N7 120.5(3) . . ?
N9 C6 N7 118.0(2) . . ?
N9 C6 N8 121.3(3) . . ?
N2 C4 C2 176.5(3) . . ?
C1 N1 H1A 109.5 . . ?
C1 N1 H1B 109.5 . . ?
C1 N1 H1C 109.5 . . ?
H1A N1 H1B 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
C1 N3 N4 104.2(2) . . ?
C5 N4 N3 118.7(2) . . ?
C3 N4 C5 128.9(2) . . ?
C3 N4 N3 112.2(2) . . ?
C3 N5 H5A 120.0 . . ?
C3 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C5 N6 H6A 120.0 . . ?
C5 N6 H6B 120.0 . . ?
H6A N6 H6B 120.0 . . ?
C5 N7 C6 120.0(2) . . ?
C6 N8 H8A 120.0 . . ?
C6 N8 H8B 120.0 . . ?
H8A N8 H8B 120.0 . . ?
C6 N9 H9A 109.4 . . ?
C6 N9 H9B 109.3 . . ?
H9A N9 H9B 109.5 . . ?
H1D O1 H1E 104.5 . . ?

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 N4 C5 177.7(2) . . . . ?
C2 C3 N4 N3 1.5(3) . . . . ?
C2 C1 N3 N4 0.1(3) . . . . ?
C3 C2 C1 N1 177.4(3) . . . . ?
C3 C2 C1 N3 0.8(3) . . . . ?
C1 C2 C3 N4 -1.3(3) . . . . ?
C1 C2 C3 N5 179.8(3) . . . . ?
C1 N3 N4 C5 -177.6(2) . . . . ?
C1 N3 N4 C3 -1.0(3) . . . . ?
C4 C2 C3 N4 174.5(3) . . . . ?
C4 C2 C3 N5 -4.4(5) . . . . ?
C4 C2 C1 N1 1.5(4) . . . . ?
C4 C2 C1 N3 -175.1(3) . . . . ?
N1 C1 N3 N4 -176.7(2) . . . . ?
N4 C5 N7 C6 -171.6(2) . . . . ?
N5 C3 N4 C5 -3.3(5) . . . . ?
N5 C3 N4 N3 -179.5(3) . . . . ?
N6 C5 N4 C3 180.0(3) . . . . ?
N6 C5 N4 N3 -4.0(3) . . . . ?
N6 C5 N7 C6 11.2(4) . . . . ?
N7 C5 N4 C3 2.4(4) . . . . ?
N7 C5 N4 N3 178.5(2) . . . . ?
N8 C6 N7 C5 63.0(4) . . . . ?
N9 C6 N7 C5 -121.4(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_095ammd25_a
_database_code_depnum_ccdc_archive 'CCDC 2465673'
loop_
_audit_author_name
_audit_author_address
'Simon Aldridge'
;University of Oxford
United Kingdom
;
_audit_update_record             
;
2025-06-19 deposited with the CCDC.	2025-10-07 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.4w (K.Radacki, 2005-23)'
_audit_creation_date             2025-03-10
_shelx_SHELXL_version_number     2019/3
_chemical_formula_moiety         'C42 H60 Si4 Sn'
_chemical_formula_sum            'C42 H60 Si4 Sn'
_chemical_formula_weight         795.95
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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                   27.8616(3)
_cell_length_b                   27.8832(3)
_cell_length_c                   44.8177(7)
_cell_angle_alpha                90
_cell_angle_beta                 99.3440(10)
_cell_angle_gamma                90
_cell_volume                     34355.6(8)
_cell_formula_units_Z            32
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    29648
_cell_measurement_theta_min      1.9940
_cell_measurement_theta_max      73.9920

_exptl_crystal_description       plate
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_F_000             13376
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    5.989
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.142
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
 CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022) Numerical 
 absorption correction based on gaussian integration over a multifaceted 
 crystal model Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 -1 1 0.0753
1 1 -1 0.0876
-1 1 0 0.1305
1 -1 0 0.1400
0 0 -1 0.0044
0 0 1 0.0058
0 -1 0 0.1487
0 1 0 0.1574
-1 0 0 0.1416
1 0 0 0.1590
-1 0 -1 0.1105
1 0 1 0.1279
-1 -1 -1 0.0694
1 1 1 0.0828
0 1 -1 0.1325
0 -1 1 0.1267
1 -1 1 0.1220

_shelx_estimated_absorpt_T_min   0.295
_shelx_estimated_absorpt_T_max   0.943
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet-R X-ray Source'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy-R'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_details      
;
 List of Runs (angles in degrees, time in seconds):
 --------------------------------------------------------------------------
  1  ω     17.00  43.40   0.60    5.00    --   57.08-114.00  74.00   44
  2  ω     41.00  95.00   0.60    5.00    --   69.95-114.00  74.00   90
  3  ω     61.00 106.00   0.60    5.00    --   84.13-114.00  74.00   75
  4  ω     62.00  87.80   0.60    5.00    --   57.08  45.00  30.00   43
  5  ω     56.00  83.00   0.60    5.00    --   57.08-125.00-150.00   45
  6  ω      4.00  29.20   0.60    5.00    --   57.08 -30.00-120.00   42
  7  ω     23.00  49.40   0.60    5.00    --   69.95 -45.00-120.00   44
  8  ω     20.00  46.40   0.60    5.00    --   69.95 -45.00 -60.00   44
  9  ω     19.00  49.00   0.60    5.00    --   69.95 -45.00 -90.00   50
 10  ω     26.00  83.00   0.60    5.00    --   69.95 -95.00 150.00   95
 11  ω     21.00  51.60   0.60    5.00    --   69.95 -45.00 150.00   51
 12  ω     23.00  49.40   0.60    5.00    --   69.95 -45.00 -30.00   44
 13  ω     76.00 112.00   0.60    5.00    --   69.95  45.00-120.00   60
 14  ω     22.00  48.40   0.60    5.00    --   69.95 -45.00  60.00   44
 15  ω     24.00  50.40   0.60    5.00    --   69.95 -45.00-150.00   44
 16  ω     53.00  80.00   0.60    5.00    --   84.13-111.00-120.00   45
 17  ω     56.00  95.00   0.60    5.00    --   84.13 -95.00 120.00   65
 18  ω     88.00 136.00   0.60    5.00    --   84.13  30.00 -60.00   80
 19  ω     54.00 103.80   0.60    5.00    --   84.13-111.00-180.00   83
 20  ω     43.00  71.80   0.60    5.00    --   84.13 -61.00 150.00   48
 21  ω    100.00 125.80   0.60    5.00    --   84.13  45.00 -60.00   43
 22  ω     58.00  88.00   0.60    5.00    --   84.13 -77.00 -30.00   50
 23  ω     80.00 137.00   0.60    5.00    --   84.13  30.00  30.00   95
 24  ω     97.00 136.00   0.60    5.00    --   84.13  30.00-120.00   65
 25  ω     94.00 133.00   0.60    5.00    --   84.13  45.00-180.00   65
 26  ω     43.00  67.60   0.60    5.00    --   84.13 -61.00  60.00   41
 27  ω     39.00  64.80   0.60    5.00    --   84.13 -61.00 -60.00   43
 28  ω     91.00 119.80   0.60    5.00    --   84.13  45.00  60.00   48
 29  ω     39.00  63.60   0.60    5.00    --   84.13 -61.00  90.00   41
 30  ω     92.00 116.60   0.60    5.00    --   84.13  45.00  90.00   41
 31  ω    100.00 124.60   0.60    5.00    --   84.13  45.00 150.00   41
 32  ω     42.00  45.60   0.60    5.00    --   57.08-172.00-158.00    6
;
_diffrn_orient_matrix_type       
;
 CrysAlisPro convention (1999,Acta A55,543-557)
;
_diffrn_orient_matrix_UB_11      0.0114274000
_diffrn_orient_matrix_UB_12      0.0272001000
_diffrn_orient_matrix_UB_13      0.0302373000
_diffrn_orient_matrix_UB_21      0.0174874000
_diffrn_orient_matrix_UB_22      -0.0470610000
_diffrn_orient_matrix_UB_23      0.0162387000
_diffrn_orient_matrix_UB_31      0.0519938000
_diffrn_orient_matrix_UB_32      0.0098557000
_diffrn_orient_matrix_UB_33      -0.0060048000
_diffrn_detector                 HPA
_diffrn_detector_type            'HyPix Arc150'
_diffrn_detector_area_resol_mean 10.0
_diffrn_reflns_number            132993
_diffrn_reflns_av_unetI/netI     0.0744
_diffrn_reflns_av_R_equivalents  0.0907
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_theta_min         1.998
_diffrn_reflns_theta_max         68.251
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             31387
_reflns_number_gt                22389
_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       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_structure_solution    "SHELXT 2018/2 (Sheldrick, 2018)'"
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'

_refine_special_details          
;
The structure showed disorder of some of the TMS grous of the hypersilyl 
moieties. The atomic displacement parameters (ADPs) of overlapping atoms from 
different PARTs (RESIs 4/41, 5/51, 8/81, 9/91, 10/101, 14/141, 15/151, 18/181,
19/191, 20/201) were restrained using similarity restraint (SIMU) and rigid 
body restraint (RIGU). The 1--2 and 1--3 distances in within the disordered TMS
moieties were restrained to the same values using SAME. The 1--2 distances 
between the disordered TMS moieties and the corresponding central hypersilyl 
silicon atom were restrained to the same value with using the similarity 
restraint SIMU.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0588P)²+492.2424P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         31387
_refine_ls_number_parameters     2151
_refine_ls_number_restraints     2536
_refine_ls_R_factor_all          0.1007
_refine_ls_R_factor_gt           0.0732
_refine_ls_wR_factor_ref         0.1920
_refine_ls_wR_factor_gt          0.1795
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.974
_refine_diff_density_min         -1.847
_refine_diff_density_rms         0.116
_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_
_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_1 Si 0.34773(7) 0.67055(7) 0.67511(4) 0.0315(4) Uani 1 1 d D . . . .
Sn1_1 Sn 0.26717(2) 0.62632(2) 0.61235(2) 0.03369(12) Uani 1 1 d . . . . .
C1_1 C 0.3207(3) 0.6825(2) 0.60864(16) 0.0326(15) Uani 1 1 d . . . . .
C2_1 C 0.3451(2) 0.6986(3) 0.63544(16) 0.0332(16) Uani 1 1 d . . . . .
C3_1 C 0.3744(3) 0.7453(3) 0.63699(18) 0.0420(18) Uani 1 1 d . . . . .
H3A_1 H 0.370123 0.760163 0.616904 0.063 Uiso 1 1 calc R U . . .
H3B_1 H 0.408884 0.738351 0.643742 0.063 Uiso 1 1 calc R U . . .
H3C_1 H 0.362778 0.767373 0.651300 0.063 Uiso 1 1 calc R U . . .
C4_1 C 0.3275(3) 0.7066(2) 0.58002(16) 0.0327(16) Uani 1 1 d . . . . .
C5_1 C 0.2907(3) 0.7341(3) 0.56367(17) 0.0402(18) Uani 1 1 d . . . . .
H5_1 H 0.260223 0.736724 0.570457 0.048 Uiso 1 1 calc R U . . .
C6_1 C 0.2981(3) 0.7580(3) 0.53718(18) 0.048(2) Uani 1 1 d . . . . .
H6_1 H 0.272887 0.776828 0.526165 0.058 Uiso 1 1 calc R U . . .
C7_1 C 0.3422(4) 0.7539(3) 0.52730(19) 0.055(2) Uani 1 1 d . . . . .
H7_1 H 0.347643 0.770768 0.509735 0.066 Uiso 1 1 calc R U . . .
C8_1 C 0.3785(3) 0.7256(3) 0.5426(2) 0.052(2) Uani 1 1 d . . . . .
H8_1 H 0.408412 0.722097 0.535312 0.063 Uiso 1 1 calc R U . . .
C9_1 C 0.3712(3) 0.7023(3) 0.56879(18) 0.0420(18) Uani 1 1 d . . . . .
H9_1 H 0.396514 0.682966 0.579333 0.050 Uiso 1 1 calc R U . . .
C1_2 C 0.2154(2) 0.6291(2) 0.56962(15) 0.0277(14) Uani 1 1 d . . . . .
C2_2 C 0.2263(2) 0.5995(2) 0.54656(15) 0.0296(15) Uani 1 1 d . . . . .
C3_2 C 0.1933(3) 0.5941(3) 0.51951(17) 0.0362(16) Uani 1 1 d . . . . .
H3_2 H 0.201540 0.574313 0.503829 0.043 Uiso 1 1 calc R U . . .
C4_2 C 0.1490(3) 0.6174(3) 0.51562(17) 0.0394(17) Uani 1 1 d . . . . .
H4_2 H 0.126872 0.613772 0.497278 0.047 Uiso 1 1 calc R U . . .
C5_2 C 0.1370(3) 0.6461(3) 0.53850(17) 0.0371(17) Uani 1 1 d . . . . .
H5_2 H 0.106513 0.662228 0.535694 0.044 Uiso 1 1 calc R U . . .
C6_2 C 0.1692(2) 0.6518(2) 0.56576(16) 0.0302(15) Uani 1 1 d . . . . .
C7_2 C 0.2733(2) 0.5728(2) 0.55179(16) 0.0291(15) Uani 1 1 d . . . . .
C8_2 C 0.3124(3) 0.5876(2) 0.53779(16) 0.0312(15) Uani 1 1 d . . . . .
C9_2 C 0.3569(3) 0.5649(3) 0.54474(16) 0.0345(16) Uani 1 1 d . . . . .
H9_2 H 0.383395 0.575919 0.535682 0.041 Uiso 1 1 calc R U . . .
C10_2 C 0.3639(3) 0.5259(3) 0.56492(18) 0.0364(17) Uani 1 1 d . . . . .
C11_2 C 0.3245(3) 0.5098(3) 0.57756(18) 0.0381(17) Uani 1 1 d . . . . .
H11_2 H 0.328364 0.482819 0.590651 0.046 Uiso 1 1 calc R U . . .
C12_2 C 0.2793(3) 0.5325(2) 0.57146(16) 0.0315(15) Uani 1 1 d . . . . .
C13_2 C 0.3063(3) 0.6273(3) 0.51471(18) 0.0406(18) Uani 1 1 d . . . . .
H13A_2 H 0.338338 0.637449 0.510692 0.061 Uiso 1 1 calc R U . . .
H13B_2 H 0.289918 0.654611 0.522503 0.061 Uiso 1 1 calc R U . . .
H13C_2 H 0.286713 0.615820 0.495936 0.061 Uiso 1 1 calc R U . . .
C14_2 C 0.4130(3) 0.5021(3) 0.57254(19) 0.0439(19) Uani 1 1 d . . . . .
H14A_2 H 0.410023 0.467999 0.567216 0.066 Uiso 1 1 calc R U . . .
H14B_2 H 0.424950 0.505337 0.594248 0.066 Uiso 1 1 calc R U . . .
H14C_2 H 0.435920 0.517451 0.561107 0.066 Uiso 1 1 calc R U . . .
C15_2 C 0.2366(3) 0.5109(3) 0.58384(18) 0.0403(18) Uani 1 1 d . . . . .
H15A_2 H 0.247988 0.497522 0.603964 0.060 Uiso 1 1 calc R U . . .
H15B_2 H 0.221990 0.485426 0.570291 0.060 Uiso 1 1 calc R U . . .
H15C_2 H 0.212374 0.535892 0.585273 0.060 Uiso 1 1 calc R U . . .
C16_2 C 0.1540(2) 0.6800(3) 0.59086(16) 0.0321(15) Uani 1 1 d . . . . .
C17_2 C 0.1422(2) 0.6565(3) 0.61639(17) 0.0371(17) Uani 1 1 d . . . . .
C18_2 C 0.1288(3) 0.6833(3) 0.63977(19) 0.047(2) Uani 1 1 d . . . . .
H18_2 H 0.120156 0.667151 0.656779 0.057 Uiso 1 1 calc R U . . .
C19_2 C 0.1276(3) 0.7329(4) 0.6391(2) 0.053(2) Uani 1 1 d . . . . .
C20_2 C 0.1379(2) 0.7559(3) 0.6134(2) 0.047(2) Uani 1 1 d . . . . .
H20_2 H 0.137256 0.789951 0.612722 0.056 Uiso 1 1 calc R U . . .
C21_2 C 0.1490(3) 0.7311(3) 0.58891(19) 0.0395(18) Uani 1 1 d . . . . .
C22_2 C 0.1411(3) 0.6024(3) 0.61818(19) 0.0436(19) Uani 1 1 d . . . . .
H22A_2 H 0.112886 0.592300 0.627119 0.065 Uiso 1 1 calc R U . . .
H22B_2 H 0.170968 0.590930 0.630770 0.065 Uiso 1 1 calc R U . . .
H22C_2 H 0.138743 0.588877 0.597808 0.065 Uiso 1 1 calc R U . . .
C23_2 C 0.1145(4) 0.7620(4) 0.6653(2) 0.074(3) Uani 1 1 d . . . . .
H23A_2 H 0.137310 0.788827 0.669655 0.111 Uiso 1 1 calc R U . . .
H23B_2 H 0.116318 0.741575 0.683187 0.111 Uiso 1 1 calc R U . . .
H23C_2 H 0.081339 0.774566 0.659824 0.111 Uiso 1 1 calc R U . . .
C24_2 C 0.1562(3) 0.7573(3) 0.5607(2) 0.047(2) Uani 1 1 d . . . . .
H24A_2 H 0.166440 0.790326 0.565888 0.070 Uiso 1 1 calc R U . . .
H24B_2 H 0.125478 0.757740 0.546499 0.070 Uiso 1 1 calc R U . . .
H24C_2 H 0.181172 0.741084 0.551411 0.070 Uiso 1 1 calc R U . . .
Si1_3 Si 0.41330(8) 0.70489(8) 0.70856(5) 0.0430(5) Uani 1 1 d D . . . .
C2_3 C 0.4134(4) 0.7717(3) 0.7126(2) 0.071(3) Uani 1 1 d D . . . .
H2A_3 H 0.437751 0.781130 0.729920 0.107 Uiso 1 1 calc R U . . .
H2B_3 H 0.381197 0.782543 0.715797 0.107 Uiso 1 1 calc R U . . .
H2C_3 H 0.421418 0.786461 0.694159 0.107 Uiso 1 1 calc R U . . .
C3_3 C 0.4734(3) 0.6894(4) 0.6968(2) 0.082(4) Uani 1 1 d D . . . .
H3A_3 H 0.500009 0.700036 0.712443 0.122 Uiso 1 1 calc R U . . .
H3B_3 H 0.475963 0.705518 0.677677 0.122 Uiso 1 1 calc R U . . .
H3C_3 H 0.475495 0.654625 0.694135 0.122 Uiso 1 1 calc R U . . .
C4_3 C 0.4118(4) 0.6796(4) 0.74716(18) 0.064(3) Uani 1 1 d D . . . .
H4A_3 H 0.442715 0.663659 0.754585 0.097 Uiso 1 1 calc R U . . .
H4B_3 H 0.385136 0.656418 0.746083 0.097 Uiso 1 1 calc R U . . .
H4C_3 H 0.406607 0.705680 0.760988 0.097 Uiso 1 1 calc R U . . .
Si1_4 Si 0.2765(5) 0.6978(9) 0.6919(5) 0.050(3) Uani 0.43(2) 1 d D U P A 1
C2_4 C 0.2277(10) 0.6534(11) 0.6968(9) 0.057(5) Uani 0.43(2) 1 d D U P A 1
H2A_4 H 0.198918 0.670483 0.701253 0.085 Uiso 0.43(2) 1 calc R U P A 1
H2B_4 H 0.239660 0.631681 0.713591 0.085 Uiso 0.43(2) 1 calc R U P A 1
H2C_4 H 0.218942 0.634735 0.678184 0.085 Uiso 0.43(2) 1 calc R U P A 1
C3_4 C 0.2476(12) 0.7419(11) 0.6622(5) 0.051(5) Uani 0.43(2) 1 d D U P A 1
H3A_4 H 0.221996 0.759857 0.669977 0.077 Uiso 0.43(2) 1 calc R U P A 1
H3B_4 H 0.233444 0.724473 0.643910 0.077 Uiso 0.43(2) 1 calc R U P A 1
H3C_4 H 0.272392 0.764263 0.657404 0.077 Uiso 0.43(2) 1 calc R U P A 1
C4_4 C 0.2886(11) 0.7311(11) 0.7287(6) 0.059(5) Uani 0.43(2) 1 d D U P A 1
H4A_4 H 0.258095 0.744361 0.733317 0.089 Uiso 0.43(2) 1 calc R U P A 1
H4B_4 H 0.311636 0.757198 0.727207 0.089 Uiso 0.43(2) 1 calc R U P A 1
H4C_4 H 0.302498 0.709036 0.744880 0.089 Uiso 0.43(2) 1 calc R U P A 1
Si1_41 Si 0.2784(4) 0.6923(7) 0.6959(4) 0.048(2) Uani 0.57(2) 1 d D U P A 2
C2_41 C 0.2355(8) 0.6410(7) 0.6952(6) 0.052(4) Uani 0.57(2) 1 d D U P A 2
H2A_41 H 0.206380 0.651402 0.703083 0.078 Uiso 0.57(2) 1 calc R U P A 2
H2B_41 H 0.251292 0.614889 0.707690 0.078 Uiso 0.57(2) 1 calc R U P A 2
H2C_41 H 0.226133 0.629751 0.674306 0.078 Uiso 0.57(2) 1 calc R U P A 2
C3_41 C 0.2498(9) 0.7445(8) 0.6736(5) 0.058(4) Uani 0.57(2) 1 d D U P A 2
H3A_41 H 0.217449 0.750453 0.678790 0.087 Uiso 0.57(2) 1 calc R U P A 2
H3B_41 H 0.246714 0.737462 0.651954 0.087 Uiso 0.57(2) 1 calc R U P A 2
H3C_41 H 0.270140 0.773038 0.678373 0.087 Uiso 0.57(2) 1 calc R U P A 2
C4_41 C 0.2927(8) 0.7119(8) 0.7362(4) 0.059(4) Uani 0.57(2) 1 d D U P A 2
H4A_41 H 0.263974 0.727079 0.742176 0.088 Uiso 0.57(2) 1 calc R U P A 2
H4B_41 H 0.319613 0.735015 0.738528 0.088 Uiso 0.57(2) 1 calc R U P A 2
H4C_41 H 0.302121 0.684016 0.749140 0.088 Uiso 0.57(2) 1 calc R U P A 2
Si1_5 Si 0.3643(8) 0.5870(2) 0.6787(5) 0.062(3) Uani 0.43(2) 1 d D U P A 1
C2_5 C 0.4148(12) 0.5760(17) 0.7110(7) 0.062(5) Uani 0.43(2) 1 d D U P A 1
H2A_5 H 0.425002 0.542378 0.710814 0.093 Uiso 0.43(2) 1 calc R U P A 1
H2B_5 H 0.403365 0.583013 0.730071 0.093 Uiso 0.43(2) 1 calc R U P A 1
H2C_5 H 0.442387 0.596843 0.708949 0.093 Uiso 0.43(2) 1 calc R U P A 1
C3_5 C 0.3864(11) 0.5665(10) 0.6436(5) 0.067(5) Uani 0.43(2) 1 d D U P A 1
H3A_5 H 0.400311 0.534280 0.646780 0.101 Uiso 0.43(2) 1 calc R U P A 1
H3B_5 H 0.411409 0.588702 0.638828 0.101 Uiso 0.43(2) 1 calc R U P A 1
H3C_5 H 0.359166 0.565867 0.626758 0.101 Uiso 0.43(2) 1 calc R U P A 1
C4_5 C 0.3121(9) 0.5496(9) 0.6864(7) 0.071(5) Uani 0.43(2) 1 d D U P A 1
H4A_5 H 0.322880 0.516320 0.690079 0.106 Uiso 0.43(2) 1 calc R U P A 1
H4B_5 H 0.285996 0.550702 0.668876 0.106 Uiso 0.43(2) 1 calc R U P A 1
H4C_5 H 0.300057 0.562024 0.704222 0.106 Uiso 0.43(2) 1 calc R U P A 1
Si1_51 Si 0.3719(5) 0.5887(2) 0.6752(4) 0.054(2) Uani 0.57(2) 1 d D U P A 2
C2_51 C 0.4124(10) 0.5698(13) 0.7109(5) 0.063(4) Uani 0.57(2) 1 d D U P A 2
H2A_51 H 0.422940 0.536651 0.708858 0.095 Uiso 0.57(2) 1 calc R U P A 2
H2B_51 H 0.394448 0.572164 0.727923 0.095 Uiso 0.57(2) 1 calc R U P A 2
H2C_51 H 0.440899 0.590894 0.714518 0.095 Uiso 0.57(2) 1 calc R U P A 2
C3_51 C 0.4084(8) 0.5807(7) 0.6437(4) 0.065(4) Uani 0.57(2) 1 d D U P A 2
H3A_51 H 0.420983 0.547862 0.644054 0.098 Uiso 0.57(2) 1 calc R U P A 2
H3B_51 H 0.435595 0.603403 0.646365 0.098 Uiso 0.57(2) 1 calc R U P A 2
H3C_51 H 0.387555 0.586706 0.624233 0.098 Uiso 0.57(2) 1 calc R U P A 2
C4_51 C 0.3233(7) 0.5414(6) 0.6707(6) 0.073(5) Uani 0.57(2) 1 d D U P A 2
H4A_51 H 0.336891 0.511325 0.679682 0.110 Uiso 0.57(2) 1 calc R U P A 2
H4B_51 H 0.311221 0.536420 0.649103 0.110 Uiso 0.57(2) 1 calc R U P A 2
H4C_51 H 0.296477 0.551775 0.680811 0.110 Uiso 0.57(2) 1 calc R U P A 2
Si1_6 Si 0.61279(8) 0.45827(7) 0.67547(5) 0.0374(5) Uani 1 1 d D . . . .
Sn1_6 Sn 0.66655(2) 0.50005(2) 0.61458(2) 0.03626(13) Uani 1 1 d . . . . .
C1_6 C 0.6066(3) 0.4477(3) 0.60910(17) 0.0347(16) Uani 1 1 d . . . . .
C2_6 C 0.5931(3) 0.4332(3) 0.63536(18) 0.0361(17) Uani 1 1 d . . . . .
C3_6 C 0.5588(3) 0.3901(3) 0.6355(2) 0.051(2) Uani 1 1 d . . . . .
H3A_6 H 0.551567 0.376475 0.615112 0.077 Uiso 1 1 calc R U . . .
H3B_6 H 0.528541 0.400559 0.641960 0.077 Uiso 1 1 calc R U . . .
H3C_6 H 0.574520 0.365681 0.649548 0.077 Uiso 1 1 calc R U . . .
C4_6 C 0.5844(3) 0.4260(3) 0.58007(16) 0.0331(16) Uani 1 1 d . . . . .
C5_6 C 0.5352(3) 0.4340(3) 0.56859(18) 0.0413(18) Uani 1 1 d . . . . .
H5_6 H 0.517017 0.455551 0.578793 0.050 Uiso 1 1 calc R U . . .
C6_6 C 0.5126(3) 0.4111(3) 0.54259(19) 0.045(2) Uani 1 1 d . . . . .
H6_6 H 0.479026 0.416648 0.535472 0.054 Uiso 1 1 calc R U . . .
C7_6 C 0.5383(3) 0.3802(3) 0.52699(19) 0.0414(18) Uani 1 1 d . . . . .
H7_6 H 0.522707 0.364664 0.509158 0.050 Uiso 1 1 calc R U . . .
C8_6 C 0.5872(3) 0.3723(3) 0.53770(18) 0.0414(18) Uani 1 1 d . . . . .
H8_6 H 0.605284 0.351225 0.527090 0.050 Uiso 1 1 calc R U . . .
C9_6 C 0.6099(3) 0.3949(2) 0.56386(17) 0.0338(16) Uani 1 1 d . . . . .
H9_6 H 0.643426 0.389035 0.570875 0.041 Uiso 1 1 calc R U . . .
C1_7 C 0.6963(2) 0.4983(2) 0.57169(15) 0.0266(14) Uani 1 1 d . . . . .
C2_7 C 0.7406(2) 0.4755(2) 0.56882(16) 0.0306(15) Uani 1 1 d . . . . .
C3_7 C 0.7596(3) 0.4792(3) 0.54216(17) 0.0370(17) Uani 1 1 d . . . . .
H3_7 H 0.789069 0.463155 0.540243 0.044 Uiso 1 1 calc R U . . .
C4_7 C 0.7356(3) 0.5062(3) 0.51830(17) 0.0382(17) Uani 1 1 d . . . . .
H4_7 H 0.748376 0.508181 0.499920 0.046 Uiso 1 1 calc R U . . .
C5_7 C 0.6934(3) 0.5303(3) 0.52116(18) 0.0386(17) Uani 1 1 d . . . . .
H5_7 H 0.677667 0.549257 0.504862 0.046 Uiso 1 1 calc R U . . .
C6_7 C 0.6736(2) 0.5271(2) 0.54768(16) 0.0297(15) Uani 1 1 d . . . . .
C7_7 C 0.7685(3) 0.4492(3) 0.59521(17) 0.0339(16) Uani 1 1 d . . . . .
C8_7 C 0.7939(2) 0.4759(3) 0.61969(18) 0.0369(17) Uani 1 1 d . . . . .
C9_7 C 0.8196(3) 0.4515(3) 0.64451(19) 0.051(2) Uani 1 1 d . . . . .
H9_7 H 0.836642 0.469448 0.660936 0.061 Uiso 1 1 calc R U . . .
C10_7 C 0.8210(3) 0.4018(3) 0.64575(19) 0.053(2) Uani 1 1 d . . . . .
C11_7 C 0.7983(3) 0.3766(3) 0.62123(19) 0.0456(19) Uani 1 1 d . . . . .
H11_7 H 0.800098 0.342589 0.621648 0.055 Uiso 1 1 calc R U . . .
C12_7 C 0.7728(3) 0.3989(3) 0.59572(17) 0.0359(16) Uani 1 1 d . . . . .
C13_7 C 0.7950(3) 0.5305(3) 0.6198(2) 0.0449(19) Uani 1 1 d . . . . .
H13A_7 H 0.827340 0.541544 0.629097 0.067 Uiso 1 1 calc R U . . .
H13B_7 H 0.770623 0.542668 0.631380 0.067 Uiso 1 1 calc R U . . .
H13C_7 H 0.787679 0.542312 0.598962 0.067 Uiso 1 1 calc R U . . .
C14_7 C 0.8462(5) 0.3756(4) 0.6736(2) 0.089(4) Uani 1 1 d . . . . .
H14A_7 H 0.871788 0.354902 0.668082 0.133 Uiso 1 1 calc R U . . .
H14B_7 H 0.822416 0.355916 0.682004 0.133 Uiso 1 1 calc R U . . .
H14C_7 H 0.860618 0.398966 0.688784 0.133 Uiso 1 1 calc R U . . .
C15_7 C 0.7504(3) 0.3694(3) 0.56909(18) 0.0409(18) Uani 1 1 d . . . . .
H15A_7 H 0.742805 0.337326 0.575958 0.061 Uiso 1 1 calc R U . . .
H15B_7 H 0.773344 0.366701 0.554748 0.061 Uiso 1 1 calc R U . . .
H15C_7 H 0.720458 0.384876 0.559144 0.061 Uiso 1 1 calc R U . . .
C16_7 C 0.6286(2) 0.5542(2) 0.55178(15) 0.0290(15) Uani 1 1 d . . . . .
C17_7 C 0.5829(3) 0.5405(2) 0.53589(16) 0.0304(15) Uani 1 1 d . . . . .
C18_7 C 0.5417(3) 0.5644(2) 0.54114(16) 0.0331(16) Uani 1 1 d . . . . .
H18_7 H 0.510878 0.554106 0.530842 0.040 Uiso 1 1 calc R U . . .
C19_7 C 0.5436(3) 0.6034(2) 0.56113(17) 0.0354(16) Uani 1 1 d . . . . .
C20_7 C 0.5892(3) 0.6184(2) 0.57527(17) 0.0333(16) Uani 1 1 d . . . . .
H20_7 H 0.591549 0.645439 0.588297 0.040 Uiso 1 1 calc R U . . .
C21_7 C 0.6322(2) 0.5947(2) 0.57091(16) 0.0301(15) Uani 1 1 d . . . . .
C22_7 C 0.5789(3) 0.5004(3) 0.51303(17) 0.0381(17) Uani 1 1 d . . . . .
H22A_7 H 0.544623 0.492105 0.506677 0.057 Uiso 1 1 calc R U . . .
H22B_7 H 0.596657 0.472282 0.522132 0.057 Uiso 1 1 calc R U . . .
H22C_7 H 0.592939 0.510834 0.495403 0.057 Uiso 1 1 calc R U . . .
C23_7 C 0.4979(3) 0.6271(3) 0.56744(19) 0.0433(19) Uani 1 1 d . . . . .
H23A_7 H 0.503905 0.661436 0.570991 0.065 Uiso 1 1 calc R U . . .
H23B_7 H 0.488018 0.612594 0.585408 0.065 Uiso 1 1 calc R U . . .
H23C_7 H 0.472003 0.622788 0.550053 0.065 Uiso 1 1 calc R U . . .
C24_7 C 0.6802(3) 0.6160(3) 0.58513(18) 0.0360(17) Uani 1 1 d . . . . .
H24A_7 H 0.679119 0.623775 0.606331 0.054 Uiso 1 1 calc R U . . .
H24B_7 H 0.686370 0.645212 0.574239 0.054 Uiso 1 1 calc R U . . .
H24C_7 H 0.706257 0.592754 0.584061 0.054 Uiso 1 1 calc R U . . .
Si1_8 Si 0.5713(14) 0.4204(14) 0.7112(8) 0.062(4) Uani 0.293(8) 1 d D U P B 1
C2_8 C 0.5040(14) 0.4259(14) 0.7081(9) 0.071(5) Uani 0.293(8) 1 d D U P B 1
H2A_8 H 0.494639 0.420472 0.727960 0.106 Uiso 0.293(8) 1 calc R U P B 1
H2B_8 H 0.488140 0.402100 0.693711 0.106 Uiso 0.293(8) 1 calc R U P B 1
H2C_8 H 0.493904 0.458193 0.700977 0.106 Uiso 0.293(8) 1 calc R U P B 1
C3_8 C 0.6007(15) 0.4464(19) 0.7485(11) 0.064(6) Uani 0.293(8) 1 d D U P B 1
H3A_8 H 0.585021 0.433219 0.764718 0.096 Uiso 0.293(8) 1 calc R U P B 1
H3B_8 H 0.596947 0.481382 0.747932 0.096 Uiso 0.293(8) 1 calc R U P B 1
H3C_8 H 0.635345 0.438248 0.752124 0.096 Uiso 0.293(8) 1 calc R U P B 1
C4_8 C 0.5845(15) 0.3543(14) 0.7139(12) 0.062(6) Uani 0.293(8) 1 d D U P B 1
H4A_8 H 0.574287 0.341380 0.732213 0.094 Uiso 0.293(8) 1 calc R U P B 1
H4B_8 H 0.619455 0.348932 0.714742 0.094 Uiso 0.293(8) 1 calc R U P B 1
H4C_8 H 0.566589 0.337971 0.696105 0.094 Uiso 0.293(8) 1 calc R U P B 1
Si1_81 Si 0.5635(6) 0.4234(5) 0.7081(3) 0.066(3) Uani 0.707(8) 1 d D U P B 2
C2_81 C 0.4982(6) 0.4396(7) 0.6954(4) 0.082(4) Uani 0.707(8) 1 d D U P B 2
H2A_81 H 0.478873 0.410229 0.691337 0.123 Uiso 0.707(8) 1 calc R U P B 2
H2B_81 H 0.495209 0.458959 0.677002 0.123 Uiso 0.707(8) 1 calc R U P B 2
H2C_81 H 0.486314 0.457958 0.711387 0.123 Uiso 0.707(8) 1 calc R U P B 2
C3_81 C 0.5832(7) 0.4479(9) 0.7471(5) 0.076(4) Uani 0.707(8) 1 d D U P B 2
H3A_81 H 0.560200 0.472683 0.751218 0.114 Uiso 0.707(8) 1 calc R U P B 2
H3B_81 H 0.615738 0.461832 0.748527 0.114 Uiso 0.707(8) 1 calc R U P B 2
H3C_81 H 0.583799 0.421937 0.761891 0.114 Uiso 0.707(8) 1 calc R U P B 2
C4_81 C 0.5639(7) 0.3562(6) 0.7123(5) 0.071(4) Uani 0.707(8) 1 d D U P B 2
H4A_81 H 0.549315 0.347442 0.729993 0.106 Uiso 0.707(8) 1 calc R U P B 2
H4B_81 H 0.597541 0.344522 0.714945 0.106 Uiso 0.707(8) 1 calc R U P B 2
H4C_81 H 0.545197 0.341702 0.694138 0.106 Uiso 0.707(8) 1 calc R U P B 2
Si1_9 Si 0.6925(5) 0.4364(11) 0.6980(5) 0.064(3) Uani 0.293(8) 1 d D U P B 1
C2_9 C 0.6969(18) 0.4192(14) 0.7385(6) 0.076(6) Uani 0.293(8) 1 d D U P B 1
H2A_9 H 0.728612 0.404242 0.745486 0.114 Uiso 0.293(8) 1 calc R U P B 1
H2B_9 H 0.670972 0.396407 0.740745 0.114 Uiso 0.293(8) 1 calc R U P B 1
H2C_9 H 0.693549 0.447870 0.750647 0.114 Uiso 0.293(8) 1 calc R U P B 1
C3_9 C 0.7356(17) 0.4871(14) 0.6954(12) 0.063(5) Uani 0.293(8) 1 d D U P B 1
H3A_9 H 0.769132 0.475558 0.700730 0.095 Uiso 0.293(8) 1 calc R U P B 1
H3B_9 H 0.729724 0.512592 0.709395 0.095 Uiso 0.293(8) 1 calc R U P B 1
H3C_9 H 0.730535 0.499631 0.674695 0.095 Uiso 0.293(8) 1 calc R U P B 1
C4_9 C 0.7083(15) 0.3834(12) 0.6766(7) 0.064(5) Uani 0.293(8) 1 d D U P B 1
H4A_9 H 0.742222 0.374337 0.683731 0.096 Uiso 0.293(8) 1 calc R U P B 1
H4B_9 H 0.704077 0.391123 0.655012 0.096 Uiso 0.293(8) 1 calc R U P B 1
H4C_9 H 0.686939 0.356555 0.679777 0.096 Uiso 0.293(8) 1 calc R U P B 1
Si1_91 Si 0.69337(19) 0.4308(4) 0.69185(18) 0.0540(16) Uani 0.707(8) 1 d D U P
B 2
C2_91 C 0.7011(7) 0.3970(6) 0.7286(3) 0.085(4) Uani 0.707(8) 1 d D U P B 2
H2A_91 H 0.733256 0.381786 0.732207 0.128 Uiso 0.707(8) 1 calc R U P B 2
H2B_91 H 0.675884 0.372266 0.727602 0.128 Uiso 0.707(8) 1 calc R U P B 2
H2C_91 H 0.698239 0.419227 0.745135 0.128 Uiso 0.707(8) 1 calc R U P B 2
C3_91 C 0.7435(6) 0.4766(6) 0.6975(5) 0.061(4) Uani 0.707(8) 1 d D U P B 2
H3A_91 H 0.774271 0.460986 0.705697 0.092 Uiso 0.707(8) 1 calc R U P B 2
H3B_91 H 0.736022 0.501316 0.711582 0.092 Uiso 0.707(8) 1 calc R U P B 2
H3C_91 H 0.746248 0.491518 0.677995 0.092 Uiso 0.707(8) 1 calc R U P B 2
C4_91 C 0.7056(6) 0.3870(5) 0.6623(3) 0.062(3) Uani 0.707(8) 1 d D U P B 2
H4A_91 H 0.733949 0.367336 0.670309 0.093 Uiso 0.707(8) 1 calc R U P B 2
H4B_91 H 0.712167 0.404497 0.644404 0.093 Uiso 0.707(8) 1 calc R U P B 2
H4C_91 H 0.677197 0.366271 0.656664 0.093 Uiso 0.707(8) 1 calc R U P B 2
Si1_10 Si 0.5837(5) 0.5392(3) 0.6714(3) 0.062(2) Uani 0.293(8) 1 d D U P B 1
C2_10 C 0.6360(9) 0.5828(9) 0.6727(7) 0.065(4) Uani 0.293(8) 1 d D U P B 1
H2A_10 H 0.624848 0.615149 0.676585 0.097 Uiso 0.293(8) 1 calc R U P B 1
H2B_10 H 0.647845 0.582266 0.653265 0.097 Uiso 0.293(8) 1 calc R U P B 1
H2C_10 H 0.662349 0.573432 0.688870 0.097 Uiso 0.293(8) 1 calc R U P B 1
C3_10 C 0.5515(13) 0.5615(16) 0.7028(7) 0.061(5) Uani 0.293(8) 1 d D U P B 1
H3A_10 H 0.549955 0.596638 0.702258 0.091 Uiso 0.293(8) 1 calc R U P B 1
H3B_10 H 0.569510 0.551148 0.722402 0.091 Uiso 0.293(8) 1 calc R U P B 1
H3C_10 H 0.518497 0.548377 0.700140 0.091 Uiso 0.293(8) 1 calc R U P B 1
C4_10 C 0.5420(11) 0.5521(11) 0.6352(5) 0.069(5) Uani 0.293(8) 1 d D U P B 1
H4A_10 H 0.543728 0.586301 0.630355 0.104 Uiso 0.293(8) 1 calc R U P B 1
H4B_10 H 0.508557 0.543866 0.637417 0.104 Uiso 0.293(8) 1 calc R U P B 1
H4C_10 H 0.551806 0.533021 0.618854 0.104 Uiso 0.293(8) 1 calc R U P B 1
Si1_101 Si 0.60124(16) 0.54161(12) 0.68295(11) 0.0442(11) Uani 0.707(8) 1 d D U
P B 2
C2_101 C 0.6540(4) 0.5678(4) 0.7087(3) 0.059(3) Uani 0.707(8) 1 d D U P B 2
H2A_101 H 0.646852 0.601159 0.713193 0.089 Uiso 0.707(8) 1 calc R U P B 2
H2B_101 H 0.682952 0.566598 0.698883 0.089 Uiso 0.707(8) 1 calc R U P B 2
H2C_101 H 0.659914 0.549291 0.727532 0.089 Uiso 0.707(8) 1 calc R U P B 2
C3_101 C 0.5454(5) 0.5510(6) 0.7010(4) 0.060(3) Uani 0.707(8) 1 d D U P B 2
H3A_101 H 0.538749 0.585446 0.702107 0.090 Uiso 0.707(8) 1 calc R U P B 2
H3B_101 H 0.550884 0.537474 0.721466 0.090 Uiso 0.707(8) 1 calc R U P B 2
H3C_101 H 0.517504 0.535066 0.688881 0.090 Uiso 0.707(8) 1 calc R U P B 2
C4_101 C 0.5895(5) 0.5760(4) 0.6470(2) 0.061(3) Uani 0.707(8) 1 d D U P B 2
H4A_101 H 0.573954 0.606591 0.650452 0.092 Uiso 0.707(8) 1 calc R U P B 2
H4B_101 H 0.568062 0.557451 0.631766 0.092 Uiso 0.707(8) 1 calc R U P B 2
H4C_101 H 0.620394 0.582170 0.639885 0.092 Uiso 0.707(8) 1 calc R U P B 2
Si1_11 Si 0.37449(7) 0.19782(7) 0.67541(4) 0.0322(4) Uani 1 1 d D . . . .
Sn1_11 Sn 0.40181(2) 0.26319(2) 0.61261(2) 0.03531(12) Uani 1 1 d . . . . .
C1_11 C 0.3452(3) 0.2073(3) 0.60898(16) 0.0332(16) Uani 1 1 d . . . . .
C2_11 C 0.3363(3) 0.1897(3) 0.63567(17) 0.0346(16) Uani 1 1 d . . . . .
C3_11 C 0.2903(3) 0.1604(3) 0.63692(19) 0.051(2) Uani 1 1 d . . . . .
H3A_11 H 0.269120 0.161620 0.617206 0.076 Uiso 1 1 calc R U . . .
H3B_11 H 0.273035 0.173733 0.652421 0.076 Uiso 1 1 calc R U . . .
H3C_11 H 0.299221 0.127017 0.641938 0.076 Uiso 1 1 calc R U . . .
C4_11 C 0.3147(2) 0.1944(3) 0.58039(16) 0.0321(15) Uani 1 1 d . . . . .
C5_11 C 0.2818(3) 0.2259(3) 0.56384(18) 0.0415(18) Uani 1 1 d . . . . .
H5_11 H 0.279989 0.258048 0.570633 0.050 Uiso 1 1 calc R U . . .
C6_11 C 0.2515(3) 0.2114(4) 0.53753(19) 0.052(2) Uani 1 1 d . . . . .
H6_11 H 0.229492 0.233541 0.526494 0.062 Uiso 1 1 calc R U . . .
C7_11 C 0.2535(3) 0.1649(4) 0.5276(2) 0.059(3) Uani 1 1 d . . . . .
H7_11 H 0.232049 0.154833 0.510060 0.070 Uiso 1 1 calc R U . . .
C8_11 C 0.2857(3) 0.1329(3) 0.5427(2) 0.054(2) Uani 1 1 d . . . . .
H8_11 H 0.287250 0.101084 0.535349 0.065 Uiso 1 1 calc R U . . .
C9_11 C 0.3166(3) 0.1471(3) 0.56912(19) 0.046(2) Uani 1 1 d . . . . .
H9_11 H 0.339096 0.124787 0.579552 0.055 Uiso 1 1 calc R U . . .
C1_12 C 0.3882(2) 0.3031(2) 0.56913(16) 0.0292(15) Uani 1 1 d . . . . .
C2_12 C 0.4123(3) 0.2865(3) 0.54641(16) 0.0336(16) Uani 1 1 d . . . . .
C3_12 C 0.4110(3) 0.3124(3) 0.51965(18) 0.0405(18) Uani 1 1 d . . . . .
H3_12 H 0.427233 0.300411 0.504109 0.049 Uiso 1 1 calc R U . . .
C4_12 C 0.3860(3) 0.3559(3) 0.51569(19) 0.0443(19) Uani 1 1 d . . . . .
H4_12 H 0.384598 0.373341 0.497346 0.053 Uiso 1 1 calc R U . . .
C5_12 C 0.3633(3) 0.3735(3) 0.53862(18) 0.0404(18) Uani 1 1 d . . . . .
H5_12 H 0.346734 0.403353 0.536030 0.048 Uiso 1 1 calc R U . . .
C6_12 C 0.3643(2) 0.3481(3) 0.56551(17) 0.0329(16) Uani 1 1 d . . . . .
C7_12 C 0.4407(2) 0.2406(2) 0.55162(15) 0.0301(15) Uani 1 1 d . . . . .
C8_12 C 0.4862(2) 0.2404(3) 0.57071(17) 0.0327(16) Uani 1 1 d . . . . .
C9_12 C 0.5107(3) 0.1963(3) 0.57691(18) 0.0355(16) Uani 1 1 d . . . . .
H9_12 H 0.541107 0.195703 0.590084 0.043 Uiso 1 1 calc R U . . .
C10_12 C 0.4913(3) 0.1538(3) 0.56409(17) 0.0343(16) Uani 1 1 d . . . . .
C11_12 C 0.4475(3) 0.1551(3) 0.54466(17) 0.0360(16) Uani 1 1 d . . . . .
H11_12 H 0.434325 0.125992 0.535795 0.043 Uiso 1 1 calc R U . . .
C12_12 C 0.4219(3) 0.1975(3) 0.53760(16) 0.0353(16) Uani 1 1 d . . . . .
C13_12 C 0.5104(3) 0.2858(3) 0.58346(19) 0.0407(18) Uani 1 1 d . . . . .
H13A_12 H 0.524131 0.280875 0.604792 0.061 Uiso 1 1 calc R U . . .
H13B_12 H 0.486359 0.311709 0.581740 0.061 Uiso 1 1 calc R U . . .
H13C_12 H 0.536458 0.294364 0.572162 0.061 Uiso 1 1 calc R U . . .
C14_12 C 0.5173(3) 0.1065(3) 0.57220(19) 0.0424(18) Uani 1 1 d . . . . .
H14A_12 H 0.499470 0.080508 0.560515 0.064 Uiso 1 1 calc R U . . .
H14B_12 H 0.518732 0.100213 0.593846 0.064 Uiso 1 1 calc R U . . .
H14C_12 H 0.550341 0.108254 0.567472 0.064 Uiso 1 1 calc R U . . .
C15_12 C 0.3761(3) 0.1978(3) 0.51486(18) 0.0408(18) Uani 1 1 d . . . . .
H15A_12 H 0.364958 0.164758 0.510654 0.061 Uiso 1 1 calc R U . . .
H15B_12 H 0.382398 0.212847 0.496121 0.061 Uiso 1 1 calc R U . . .
H15C_12 H 0.350930 0.215934 0.522924 0.061 Uiso 1 1 calc R U . . .
C16_12 C 0.3418(3) 0.3695(2) 0.59053(17) 0.0348(16) Uani 1 1 d . . . . .
C17_12 C 0.2907(3) 0.3724(3) 0.58841(19) 0.0382(17) Uani 1 1 d . . . . .
C18_12 C 0.2721(3) 0.3901(3) 0.6130(2) 0.047(2) Uani 1 1 d . . . . .
H18_12 H 0.237722 0.391242 0.611777 0.056 Uiso 1 1 calc R U . . .
C19_12 C 0.3002(3) 0.4062(3) 0.6391(2) 0.050(2) Uani 1 1 d . . . . .
C20_12 C 0.3502(3) 0.4058(3) 0.6404(2) 0.046(2) Uani 1 1 d . . . . .
H20_12 H 0.370298 0.418202 0.657870 0.055 Uiso 1 1 calc R U . . .
C21_12 C 0.3718(3) 0.3877(3) 0.61682(19) 0.0393(18) Uani 1 1 d . . . . .
C22_12 C 0.2578(3) 0.3586(3) 0.5598(2) 0.0451(19) Uani 1 1 d . . . . .
H22A_12 H 0.226332 0.348235 0.564573 0.068 Uiso 1 1 calc R U . . .
H22B_12 H 0.272578 0.332303 0.549953 0.068 Uiso 1 1 calc R U . . .
H22C_12 H 0.253056 0.386294 0.546161 0.068 Uiso 1 1 calc R U . . .
C23_12 C 0.2770(4) 0.4239(4) 0.6653(2) 0.065(3) Uani 1 1 d . . . . .
H23A_12 H 0.301561 0.424791 0.683658 0.097 Uiso 1 1 calc R U . . .
H23B_12 H 0.250639 0.402199 0.668430 0.097 Uiso 1 1 calc R U . . .
H23C_12 H 0.263956 0.456204 0.660863 0.097 Uiso 1 1 calc R U . . .
C24_12 C 0.4262(3) 0.3901(3) 0.6189(2) 0.048(2) Uani 1 1 d . . . . .
H24A_12 H 0.437996 0.420930 0.627679 0.071 Uiso 1 1 calc R U . . .
H24B_12 H 0.434762 0.386969 0.598636 0.071 Uiso 1 1 calc R U . . .
H24C_12 H 0.441214 0.363942 0.631754 0.071 Uiso 1 1 calc R U . . .
Si1_13 Si 0.34899(8) 0.14010(9) 0.70863(6) 0.0490(6) Uani 1 1 d D . . . .
C2_13 C 0.2833(3) 0.1414(4) 0.7129(2) 0.074(3) Uani 1 1 d D . . . .
H2A_13 H 0.278927 0.124009 0.731309 0.111 Uiso 1 1 calc R U . . .
H2B_13 H 0.263719 0.126199 0.695333 0.111 Uiso 1 1 calc R U . . .
H2C_13 H 0.272787 0.174763 0.714448 0.111 Uiso 1 1 calc R U . . .
C3_13 C 0.3851(3) 0.1515(4) 0.74725(19) 0.073(3) Uani 1 1 d D . . . .
H3A_13 H 0.363153 0.151515 0.762283 0.110 Uiso 1 1 calc R U . . .
H3B_13 H 0.401321 0.182675 0.747400 0.110 Uiso 1 1 calc R U . . .
H3C_13 H 0.409499 0.126205 0.752167 0.110 Uiso 1 1 calc R U . . .
C4_13 C 0.3616(5) 0.0775(3) 0.6971(3) 0.093(4) Uani 1 1 d D . . . .
H4A_13 H 0.330793 0.061169 0.689773 0.140 Uiso 1 1 calc R U . . .
H4B_13 H 0.379147 0.060132 0.714524 0.140 Uiso 1 1 calc R U . . .
H4C_13 H 0.381438 0.078448 0.680944 0.140 Uiso 1 1 calc R U . . .
Si1_14 Si 0.3543(7) 0.2704(4) 0.6972(4) 0.055(3) Uani 0.531(13) 1 d D U P C 1
C2_14 C 0.2951(8) 0.2911(9) 0.6759(5) 0.063(4) Uani 0.531(13) 1 d D U P C 1
H2A_14 H 0.287482 0.322907 0.683153 0.094 Uiso 0.531(13) 1 calc R U P C 1
H2B_14 H 0.269497 0.268444 0.679053 0.094 Uiso 0.531(13) 1 calc R U P C 1
H2C_14 H 0.297154 0.292791 0.654317 0.094 Uiso 0.531(13) 1 calc R U P C 1
C3_14 C 0.4032(9) 0.3161(9) 0.6953(8) 0.057(4) Uani 0.531(13) 1 d D U P C 1
H3A_14 H 0.394455 0.346305 0.704238 0.086 Uiso 0.531(13) 1 calc R U P C 1
H3B_14 H 0.406656 0.321515 0.674146 0.086 Uiso 0.531(13) 1 calc R U P C 1
H3C_14 H 0.434091 0.304360 0.706545 0.086 Uiso 0.531(13) 1 calc R U P C 1
C4_14 C 0.3476(8) 0.2653(9) 0.7379(4) 0.063(4) Uani 0.531(13) 1 d D U P C 1
H4A_14 H 0.330410 0.293547 0.743850 0.094 Uiso 0.531(13) 1 calc R U P C 1
H4B_14 H 0.379868 0.263382 0.750397 0.094 Uiso 0.531(13) 1 calc R U P C 1
H4C_14 H 0.329016 0.236349 0.740890 0.094 Uiso 0.531(13) 1 calc R U P C 1
Si1_141 Si 0.3514(7) 0.2733(4) 0.6921(4) 0.048(2) Uani 0.469(13) 1 d D U P C 2
C2_141 C 0.2980(9) 0.2915(10) 0.6630(5) 0.056(4) Uani 0.469(13) 1 d D U P C 2
H2A_141 H 0.280855 0.318171 0.670904 0.084 Uiso 0.469(13) 1 calc R U P C 2
H2B_141 H 0.275767 0.264210 0.658632 0.084 Uiso 0.469(13) 1 calc R U P C 2
H2C_141 H 0.309484 0.301527 0.644478 0.084 Uiso 0.469(13) 1 calc R U P C 2
C3_141 C 0.3958(10) 0.3247(10) 0.6965(9) 0.060(5) Uani 0.469(13) 1 d D U P C 2
H3A_141 H 0.379672 0.353637 0.702334 0.090 Uiso 0.469(13) 1 calc R U P C 2
H3B_141 H 0.407341 0.330320 0.677261 0.090 Uiso 0.469(13) 1 calc R U P C 2
H3C_141 H 0.423489 0.316863 0.712159 0.090 Uiso 0.469(13) 1 calc R U P C 2
C4_141 C 0.3277(9) 0.2702(10) 0.7288(5) 0.066(4) Uani 0.469(13) 1 d D U P C 2
H4A_141 H 0.318272 0.302423 0.734486 0.099 Uiso 0.469(13) 1 calc R U P C 2
H4B_141 H 0.353167 0.257723 0.744599 0.099 Uiso 0.469(13) 1 calc R U P C 2
H4C_141 H 0.299364 0.248978 0.726672 0.099 Uiso 0.469(13) 1 calc R U P C 2
Si1_15 Si 0.4571(2) 0.1768(5) 0.6758(3) 0.067(2) Uani 0.531(13) 1 d D U P C 1
C2_15 C 0.4839(9) 0.1404(8) 0.7098(4) 0.073(4) Uani 0.531(13) 1 d D U P C 1
H2A_15 H 0.514446 0.125785 0.706239 0.110 Uiso 0.531(13) 1 calc R U P C 1
H2B_15 H 0.460969 0.115171 0.713304 0.110 Uiso 0.531(13) 1 calc R U P C 1
H2C_15 H 0.490239 0.161324 0.727580 0.110 Uiso 0.531(13) 1 calc R U P C 1
C3_15 C 0.5001(6) 0.2281(7) 0.6760(5) 0.085(4) Uani 0.531(13) 1 d D U P C 1
H3A_15 H 0.533342 0.217143 0.683490 0.128 Uiso 0.531(13) 1 calc R U P C 1
H3B_15 H 0.491318 0.253503 0.689185 0.128 Uiso 0.531(13) 1 calc R U P C 1
H3C_15 H 0.498381 0.240508 0.655389 0.128 Uiso 0.531(13) 1 calc R U P C 1
C4_15 C 0.4599(7) 0.1377(8) 0.6421(4) 0.083(5) Uani 0.531(13) 1 d D U P C 1
H4A_15 H 0.493647 0.127700 0.642079 0.125 Uiso 0.531(13) 1 calc R U P C 1
H4B_15 H 0.448197 0.155747 0.623589 0.125 Uiso 0.531(13) 1 calc R U P C 1
H4C_15 H 0.439495 0.109363 0.643051 0.125 Uiso 0.531(13) 1 calc R U P C 1
Si1_151 Si 0.4594(2) 0.1833(6) 0.6808(4) 0.063(2) Uani 0.469(13) 1 d D U P C 2
C2_151 C 0.4762(10) 0.1264(7) 0.7026(5) 0.070(4) Uani 0.469(13) 1 d D U P C 2
H2A_151 H 0.511644 0.123670 0.707311 0.105 Uiso 0.469(13) 1 calc R U P C 2
H2B_151 H 0.463008 0.098763 0.690368 0.105 Uiso 0.469(13) 1 calc R U P C 2
H2C_151 H 0.462528 0.126995 0.721407 0.105 Uiso 0.469(13) 1 calc R U P C 2
C3_151 C 0.4939(7) 0.2334(7) 0.7031(6) 0.080(5) Uani 0.469(13) 1 d D U P C 2
H3A_151 H 0.528808 0.226378 0.705991 0.120 Uiso 0.469(13) 1 calc R U P C 2
H3B_151 H 0.483298 0.236034 0.722836 0.120 Uiso 0.469(13) 1 calc R U P C 2
H3C_151 H 0.487482 0.263626 0.692053 0.120 Uiso 0.469(13) 1 calc R U P C 2
C4_151 C 0.4839(8) 0.1755(10) 0.6449(4) 0.081(4) Uani 0.469(13) 1 d D U P C 2
H4A_151 H 0.511879 0.153693 0.648345 0.121 Uiso 0.469(13) 1 calc R U P C 2
H4B_151 H 0.494211 0.206657 0.638088 0.121 Uiso 0.469(13) 1 calc R U P C 2
H4C_151 H 0.458644 0.161947 0.629470 0.121 Uiso 0.469(13) 1 calc R U P C 2
Si1_16 Si 0.08632(7) 0.43277(7) 0.67513(5) 0.0346(4) Uani 1 1 d D . . . .
Sn1_16 Sn 0.02860(2) 0.36418(2) 0.61411(2) 0.03597(13) Uani 1 1 d . . . . .
C1_16 C 0.0801(3) 0.4218(2) 0.60875(16) 0.0327(16) Uani 1 1 d . . . . .
C2_16 C 0.1022(3) 0.4413(3) 0.63526(17) 0.0341(16) Uani 1 1 d . . . . .
C3_16 C 0.1458(3) 0.4742(3) 0.63528(19) 0.049(2) Uani 1 1 d . . . . .
H3A_16 H 0.155002 0.474551 0.615087 0.074 Uiso 1 1 calc R U . . .
H3B_16 H 0.173185 0.462515 0.650007 0.074 Uiso 1 1 calc R U . . .
H3C_16 H 0.137291 0.506790 0.640772 0.074 Uiso 1 1 calc R U . . .
C4_16 C 0.0950(2) 0.4367(2) 0.57988(16) 0.0303(15) Uani 1 1 d . . . . .
C5_16 C 0.1213(3) 0.4069(3) 0.56347(17) 0.0352(16) Uani 1 1 d . . . . .
H5_16 H 0.128411 0.375039 0.570304 0.042 Uiso 1 1 calc R U . . .
C6_16 C 0.1375(3) 0.4226(3) 0.53738(18) 0.0417(18) Uani 1 1 d . . . . .
H6_16 H 0.155440 0.401535 0.526682 0.050 Uiso 1 1 calc R U . . .
C7_16 C 0.1276(3) 0.4691(3) 0.52687(19) 0.0438(19) Uani 1 1 d . . . . .
H7_16 H 0.139202 0.480378 0.509347 0.053 Uiso 1 1 calc R U . . .
C8_16 C 0.1004(3) 0.4985(3) 0.54258(19) 0.0449(19) Uani 1 1 d . . . . .
H8_16 H 0.092519 0.530020 0.535309 0.054 Uiso 1 1 calc R U . . .
C9_16 C 0.0845(3) 0.4832(3) 0.56843(18) 0.0411(18) Uani 1 1 d . . . . .
H9_16 H 0.066064 0.504398 0.578757 0.049 Uiso 1 1 calc R U . . .
C1_17 C 0.0201(2) 0.3229(2) 0.57134(16) 0.0291(15) Uani 1 1 d . . . . .
C2_17 C 0.0415(2) 0.2776(2) 0.56862(16) 0.0310(15) Uani 1 1 d . . . . .
C3_17 C 0.0314(2) 0.2519(3) 0.54179(17) 0.0356(17) Uani 1 1 d . . . . .
H3_17 H 0.047226 0.222136 0.539836 0.043 Uiso 1 1 calc R U . . .
C4_17 C -0.0019(3) 0.2695(3) 0.51774(17) 0.0360(16) Uani 1 1 d . . . . .
H4_17 H -0.008696 0.251949 0.499385 0.043 Uiso 1 1 calc R U . . .
C5_17 C -0.0251(3) 0.3131(3) 0.52071(16) 0.0353(16) Uani 1 1 d . . . . .
H5_17 H -0.047978 0.325057 0.504353 0.042 Uiso 1 1 calc R U . . .
C6_17 C -0.0151(2) 0.3392(2) 0.54746(15) 0.0292(15) Uani 1 1 d . . . . .
C7_17 C 0.0741(2) 0.2557(2) 0.59523(16) 0.0295(15) Uani 1 1 d . . . . .
C8_17 C 0.1240(3) 0.2511(2) 0.59578(17) 0.0342(16) Uani 1 1 d . . . . .
C9_17 C 0.1537(3) 0.2311(3) 0.62099(18) 0.0376(17) Uani 1 1 d . . . . .
H9_17 H 0.187866 0.229002 0.621539 0.045 Uiso 1 1 calc R U . . .
C10_17 C 0.1328(3) 0.2141(3) 0.64525(19) 0.0445(19) Uani 1 1 d . . . . .
C11_17 C 0.0834(3) 0.2162(3) 0.64386(18) 0.0441(19) Uani 1 1 d . . . . .
H11_17 H 0.069398 0.203360 0.660093 0.053 Uiso 1 1 calc R U . . .
C12_17 C 0.0531(3) 0.2366(2) 0.61929(17) 0.0339(16) Uani 1 1 d . . . . .
C13_17 C 0.1481(3) 0.2666(3) 0.56938(18) 0.0420(18) Uani 1 1 d . . . . .
H13A_17 H 0.182308 0.274382 0.576677 0.063 Uiso 1 1 calc R U . . .
H13B_17 H 0.131436 0.294906 0.559786 0.063 Uiso 1 1 calc R U . . .
H13C_17 H 0.146228 0.240438 0.554617 0.063 Uiso 1 1 calc R U . . .
C14_17 C 0.1658(4) 0.1934(4) 0.6728(2) 0.069(3) Uani 1 1 d . . . . .
H14A_17 H 0.145948 0.183084 0.687830 0.103 Uiso 1 1 calc R U . . .
H14B_17 H 0.188868 0.218057 0.681748 0.103 Uiso 1 1 calc R U . . .
H14C_17 H 0.183701 0.165912 0.666649 0.103 Uiso 1 1 calc R U . . .
C15_17 C -0.0011(3) 0.2368(3) 0.6186(2) 0.0434(19) Uani 1 1 d . . . . .
H15A_17 H -0.010506 0.208234 0.629035 0.065 Uiso 1 1 calc R U . . .
H15B_17 H -0.017605 0.236536 0.597561 0.065 Uiso 1 1 calc R U . . .
H15C_17 H -0.010363 0.265626 0.628751 0.065 Uiso 1 1 calc R U . . .
C16_17 C -0.0411(2) 0.3852(2) 0.55203(15) 0.0279(14) Uani 1 1 d . . . . .
C17_17 C -0.0758(2) 0.3872(2) 0.57132(16) 0.0315(15) Uani 1 1 d . . . . .
C18_17 C -0.0979(2) 0.4308(3) 0.57610(17) 0.0347(16) Uani 1 1 d . . . . .
H18_17 H -0.121070 0.431895 0.589481 0.042 Uiso 1 1 calc R U . . .
C19_17 C -0.0869(2) 0.4733(2) 0.56162(17) 0.0341(16) Uani 1 1 d . . . . .
C20_17 C -0.0536(2) 0.4697(3) 0.54155(16) 0.0335(16) Uani 1 1 d . . . . .
H20_17 H -0.046107 0.497664 0.531129 0.040 Uiso 1 1 calc R U . . .
C21_17 C -0.0310(2) 0.4272(3) 0.53621(16) 0.0315(15) Uani 1 1 d . . . . .
C22_17 C -0.0943(3) 0.3422(3) 0.58519(18) 0.0360(16) Uani 1 1 d . . . . .
H22A_17 H -0.095452 0.347963 0.606635 0.054 Uiso 1 1 calc R U . . .
H22B_17 H -0.072289 0.315397 0.583231 0.054 Uiso 1 1 calc R U . . .
H22C_17 H -0.126958 0.334479 0.574625 0.054 Uiso 1 1 calc R U . . .
C23_17 C -0.1093(3) 0.5204(3) 0.5679(2) 0.0439(19) Uani 1 1 d . . . . .
H23A_17 H -0.116707 0.538814 0.549137 0.066 Uiso 1 1 calc R U . . .
H23B_17 H -0.086444 0.538477 0.582693 0.066 Uiso 1 1 calc R U . . .
H23C_17 H -0.139333 0.514587 0.576098 0.066 Uiso 1 1 calc R U . . .
C24_17 C 0.0023(3) 0.4254(3) 0.51316(17) 0.0379(17) Uani 1 1 d . . . . .
H24A_17 H 0.008440 0.458013 0.506585 0.057 Uiso 1 1 calc R U . . .
H24B_17 H -0.012804 0.406448 0.495721 0.057 Uiso 1 1 calc R U . . .
H24C_17 H 0.033181 0.410470 0.522113 0.057 Uiso 1 1 calc R U . . .
Si1_18 Si 0.1170(8) 0.3561(4) 0.6911(5) 0.055(3) Uani 0.452(9) 1 d D U P D 1
C2_18 C 0.1634(9) 0.3569(11) 0.7265(5) 0.068(5) Uani 0.452(9) 1 d D U P D 1
H2A_18 H 0.174002 0.324012 0.731815 0.102 Uiso 0.452(9) 1 calc R U P D 1
H2B_18 H 0.148963 0.370845 0.743078 0.102 Uiso 0.452(9) 1 calc R U P D 1
H2C_18 H 0.191418 0.376156 0.723158 0.102 Uiso 0.452(9) 1 calc R U P D 1
C3_18 C 0.1500(11) 0.3349(11) 0.6601(5) 0.052(5) Uani 0.452(9) 1 d D U P D 1
H3A_18 H 0.175203 0.311752 0.668309 0.078 Uiso 0.452(9) 1 calc R U P D 1
H3B_18 H 0.165183 0.362352 0.651606 0.078 Uiso 0.452(9) 1 calc R U P D 1
H3C_18 H 0.126881 0.319526 0.644117 0.078 Uiso 0.452(9) 1 calc R U P D 1
C4_18 C 0.0734(9) 0.3072(10) 0.6981(7) 0.059(5) Uani 0.452(9) 1 d D U P D 1
H4A_18 H 0.091436 0.277317 0.703103 0.089 Uiso 0.452(9) 1 calc R U P D 1
H4B_18 H 0.049243 0.302475 0.679866 0.089 Uiso 0.452(9) 1 calc R U P D 1
H4C_18 H 0.056923 0.316410 0.714959 0.089 Uiso 0.452(9) 1 calc R U P D 1
Si1_181 Si 0.1107(6) 0.3565(3) 0.6953(4) 0.051(2) Uani 0.548(9) 1 d D U P D 2
C2_181 C 0.1446(8) 0.3596(9) 0.7348(4) 0.067(4) Uani 0.548(9) 1 d D U P D 2
H2A_181 H 0.158642 0.328153 0.740780 0.100 Uiso 0.548(9) 1 calc R U P D 2
H2B_181 H 0.122234 0.368964 0.748577 0.100 Uiso 0.548(9) 1 calc R U P D 2
H2C_181 H 0.170731 0.383431 0.735893 0.100 Uiso 0.548(9) 1 calc R U P D 2
C3_181 C 0.1530(9) 0.3323(10) 0.6708(4) 0.057(4) Uani 0.548(9) 1 d D U P D 2
H3A_181 H 0.168260 0.302963 0.679897 0.086 Uiso 0.548(9) 1 calc R U P D 2
H3B_181 H 0.178158 0.356194 0.669005 0.086 Uiso 0.548(9) 1 calc R U P D 2
H3C_181 H 0.134785 0.325085 0.650751 0.086 Uiso 0.548(9) 1 calc R U P D 2
C4_181 C 0.0580(7) 0.3153(8) 0.6963(6) 0.056(5) Uani 0.548(9) 1 d D U P D 2
H4A_181 H 0.069845 0.284309 0.704751 0.084 Uiso 0.548(9) 1 calc R U P D 2
H4B_181 H 0.040292 0.310720 0.675760 0.084 Uiso 0.548(9) 1 calc R U P D 2
H4C_181 H 0.036098 0.329428 0.708996 0.084 Uiso 0.548(9) 1 calc R U P D 2
Si1_19 Si 0.1286(8) 0.4925(6) 0.7068(5) 0.052(3) Uani 0.452(9) 1 d D U P D 1
C2_19 C 0.1062(9) 0.5534(8) 0.6929(5) 0.059(5) Uani 0.452(9) 1 d D U P D 1
H2A_19 H 0.133507 0.572460 0.688108 0.088 Uiso 0.452(9) 1 calc R U P D 1
H2B_19 H 0.091631 0.569706 0.708625 0.088 Uiso 0.452(9) 1 calc R U P D 1
H2C_19 H 0.081694 0.549868 0.674674 0.088 Uiso 0.452(9) 1 calc R U P D 1
C3_19 C 0.1965(8) 0.4948(8) 0.7114(7) 0.052(4) Uani 0.452(9) 1 d D U P D 1
H3A_19 H 0.209049 0.515444 0.728624 0.079 Uiso 0.452(9) 1 calc R U P D 1
H3B_19 H 0.206262 0.507688 0.693004 0.079 Uiso 0.452(9) 1 calc R U P D 1
H3C_19 H 0.209675 0.462345 0.715140 0.079 Uiso 0.452(9) 1 calc R U P D 1
C4_19 C 0.1125(12) 0.4860(9) 0.7457(6) 0.055(5) Uani 0.452(9) 1 d D U P D 1
H4A_19 H 0.142381 0.482663 0.760499 0.083 Uiso 0.452(9) 1 calc R U P D 1
H4B_19 H 0.092215 0.457443 0.746385 0.083 Uiso 0.452(9) 1 calc R U P D 1
H4C_19 H 0.094631 0.514440 0.750554 0.083 Uiso 0.452(9) 1 calc R U P D 1
Si1_191 Si 0.1343(6) 0.4839(5) 0.7104(4) 0.048(3) Uani 0.548(9) 1 d D U P D 2
C2_191 C 0.1245(7) 0.5497(6) 0.7033(5) 0.062(4) Uani 0.548(9) 1 d D U P D 2
H2A_191 H 0.145941 0.567990 0.718725 0.093 Uiso 0.548(9) 1 calc R U P D 2
H2B_191 H 0.090506 0.557797 0.704269 0.093 Uiso 0.548(9) 1 calc R U P D 2
H2C_191 H 0.131769 0.557798 0.683247 0.093 Uiso 0.548(9) 1 calc R U P D 2
C3_191 C 0.2015(7) 0.4746(7) 0.7134(6) 0.059(4) Uani 0.548(9) 1 d D U P D 2
H3A_191 H 0.218275 0.490913 0.731538 0.089 Uiso 0.548(9) 1 calc R U P D 2
H3B_191 H 0.212599 0.487807 0.695480 0.089 Uiso 0.548(9) 1 calc R U P D 2
H3C_191 H 0.208721 0.440211 0.714901 0.089 Uiso 0.548(9) 1 calc R U P D 2
C4_191 C 0.1180(9) 0.4692(7) 0.7483(5) 0.051(4) Uani 0.548(9) 1 d D U P D 2
H4A_191 H 0.124094 0.435121 0.752631 0.076 Uiso 0.548(9) 1 calc R U P D 2
H4B_191 H 0.083467 0.476220 0.748129 0.076 Uiso 0.548(9) 1 calc R U P D 2
H4C_191 H 0.137797 0.488613 0.763854 0.076 Uiso 0.548(9) 1 calc R U P D 2
Si1_20 Si 0.0058(2) 0.4480(4) 0.6830(3) 0.061(2) Uani 0.452(9) 1 d D U P D 1
C2_20 C -0.0375(6) 0.4509(9) 0.6469(4) 0.070(4) Uani 0.452(9) 1 d D U P D 1
H2A_20 H -0.064221 0.472702 0.649218 0.105 Uiso 0.452(9) 1 calc R U P D 1
H2B_20 H -0.050581 0.418782 0.641670 0.105 Uiso 0.452(9) 1 calc R U P D 1
H2C_20 H -0.020594 0.462633 0.630826 0.105 Uiso 0.452(9) 1 calc R U P D 1
C3_20 C 0.0029(10) 0.5078(7) 0.7021(5) 0.071(5) Uani 0.452(9) 1 d D U P D 1
H3A_20 H -0.029813 0.512648 0.706942 0.106 Uiso 0.452(9) 1 calc R U P D 1
H3B_20 H 0.010164 0.533377 0.688453 0.106 Uiso 0.452(9) 1 calc R U P D 1
H3C_20 H 0.026755 0.508630 0.720695 0.106 Uiso 0.452(9) 1 calc R U P D 1
C4_20 C -0.0139(7) 0.4015(7) 0.7084(5) 0.076(5) Uani 0.452(9) 1 d D U P D 1
H4A_20 H -0.046072 0.409942 0.713057 0.114 Uiso 0.452(9) 1 calc R U P D 1
H4B_20 H 0.009537 0.400034 0.727239 0.114 Uiso 0.452(9) 1 calc R U P D 1
H4C_20 H -0.015610 0.370232 0.698370 0.114 Uiso 0.452(9) 1 calc R U P D 1
Si1_201 Si 0.0047(2) 0.4585(4) 0.6736(2) 0.066(2) Uani 0.548(9) 1 d D U P D 2
C2_201 C -0.0141(6) 0.4999(7) 0.6408(4) 0.078(4) Uani 0.548(9) 1 d D U P D 2
H2A_201 H -0.048022 0.509487 0.640194 0.116 Uiso 0.548(9) 1 calc R U P D 2
H2B_201 H -0.010721 0.483295 0.621915 0.116 Uiso 0.548(9) 1 calc R U P D 2
H2C_201 H 0.006767 0.528377 0.643001 0.116 Uiso 0.548(9) 1 calc R U P D 2
C3_201 C -0.0044(8) 0.4917(7) 0.7092(4) 0.067(4) Uani 0.548(9) 1 d D U P D 2
H3A_201 H -0.037364 0.505063 0.706483 0.100 Uiso 0.548(9) 1 calc R U P D 2
H3B_201 H 0.019381 0.517793 0.713050 0.100 Uiso 0.548(9) 1 calc R U P D 2
H3C_201 H 0.000070 0.469494 0.726326 0.100 Uiso 0.548(9) 1 calc R U P D 2
C4_201 C -0.0431(6) 0.4101(6) 0.6710(5) 0.080(4) Uani 0.548(9) 1 d D U P D 2
H4A_201 H -0.073638 0.423928 0.675193 0.120 Uiso 0.548(9) 1 calc R U P D 2
H4B_201 H -0.032232 0.384978 0.685906 0.120 Uiso 0.548(9) 1 calc R U P D 2
H4C_201 H -0.048158 0.396234 0.650674 0.120 Uiso 0.548(9) 1 calc R U P D 2


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_1 C2_1 1.932(8) . ?
Si1_1 Si1_41 2.356(5) . ?
Si1_1 Si1_4 2.360(6) . ?
Si1_1 Si1_3 2.369(3) . ?
Si1_1 Si1_5 2.376(6) . ?
Si1_1 Si1_51 2.380(5) . ?
Sn1_1 C1_1 2.187(7) . ?
Sn1_1 C1_2 2.204(7) . ?
C1_1 C2_1 1.357(10) . ?
C1_1 C4_1 1.488(10) . ?
C2_1 C3_1 1.534(10) . ?
C4_1 C5_1 1.390(10) . ?
C4_1 C9_1 1.396(10) . ?
C5_1 C6_1 1.406(11) . ?
C6_1 C7_1 1.376(13) . ?
C7_1 C8_1 1.374(13) . ?
C8_1 C9_1 1.383(11) . ?
C1_2 C2_2 1.395(9) . ?
C1_2 C6_2 1.418(9) . ?
C2_2 C3_2 1.405(10) . ?
C2_2 C7_2 1.492(9) . ?
C3_2 C4_2 1.381(10) . ?
C4_2 C5_2 1.385(10) . ?
C5_2 C6_2 1.403(10) . ?
C6_2 C16_2 1.490(10) . ?
C7_2 C8_2 1.404(10) . ?
C7_2 C12_2 1.422(9) . ?
C8_2 C9_2 1.381(10) . ?
C8_2 C13_2 1.506(10) . ?
C9_2 C10_2 1.408(10) . ?
C10_2 C11_2 1.389(10) . ?
C10_2 C14_2 1.510(10) . ?
C11_2 C12_2 1.394(10) . ?
C12_2 C15_2 1.515(10) . ?
C16_2 C17_2 1.404(10) . ?
C16_2 C21_2 1.431(10) . ?
C17_2 C18_2 1.388(11) . ?
C17_2 C22_2 1.511(11) . ?
C18_2 C19_2 1.382(13) . ?
C19_2 C20_2 1.389(13) . ?
C19_2 C23_2 1.519(12) . ?
C20_2 C21_2 1.376(11) . ?
C21_2 C24_2 1.500(11) . ?
Si1_3 C2_3 1.872(8) . ?
Si1_3 C4_3 1.875(8) . ?
Si1_3 C3_3 1.886(8) . ?
Si1_4 C4_4 1.875(13) . ?
Si1_4 C2_4 1.880(13) . ?
Si1_4 C3_4 1.893(13) . ?
Si1_41 C2_41 1.862(11) . ?
Si1_41 C3_41 1.869(12) . ?
Si1_41 C4_41 1.869(12) . ?
Si1_5 C4_5 1.868(13) . ?
Si1_5 C3_5 1.868(13) . ?
Si1_5 C2_5 1.872(13) . ?
Si1_51 C4_51 1.876(12) . ?
Si1_51 C2_51 1.876(12) . ?
Si1_51 C3_51 1.883(12) . ?
Si1_6 C2_6 1.924(8) . ?
Si1_6 Si1_9 2.366(7) . ?
Si1_6 Si1_8 2.369(7) . ?
Si1_6 Si1_81 2.370(4) . ?
Si1_6 Si1_91 2.373(4) . ?
Si1_6 Si1_101 2.377(4) . ?
Si1_6 Si1_10 2.394(7) . ?
Sn1_6 C1_6 2.204(7) . ?
Sn1_6 C1_7 2.214(6) . ?
C1_6 C2_6 1.354(10) . ?
C1_6 C4_6 1.475(10) . ?
C2_6 C3_6 1.535(10) . ?
C4_6 C9_6 1.399(10) . ?
C4_6 C5_6 1.401(10) . ?
C5_6 C6_6 1.388(11) . ?
C6_6 C7_6 1.380(11) . ?
C7_6 C8_6 1.387(11) . ?
C8_6 C9_6 1.390(11) . ?
C1_7 C6_7 1.407(9) . ?
C1_7 C2_7 1.411(9) . ?
C2_7 C3_7 1.388(10) . ?
C2_7 C7_7 1.499(10) . ?
C3_7 C4_7 1.389(10) . ?
C4_7 C5_7 1.378(10) . ?
C5_7 C6_7 1.393(10) . ?
C6_7 C16_7 1.501(9) . ?
C7_7 C12_7 1.407(10) . ?
C7_7 C8_7 1.417(10) . ?
C8_7 C9_7 1.399(11) . ?
C8_7 C13_7 1.521(11) . ?
C9_7 C10_7 1.389(13) . ?
C10_7 C11_7 1.368(12) . ?
C10_7 C14_7 1.517(12) . ?
C11_7 C12_7 1.391(11) . ?
C12_7 C15_7 1.499(10) . ?
C16_7 C17_7 1.408(9) . ?
C16_7 C21_7 1.410(9) . ?
C17_7 C18_7 1.382(10) . ?
C17_7 C22_7 1.507(9) . ?
C18_7 C19_7 1.405(10) . ?
C19_7 C20_7 1.390(10) . ?
C19_7 C23_7 1.500(10) . ?
C20_7 C21_7 1.408(10) . ?
C21_7 C24_7 1.506(9) . ?
Si1_8 C2_8 1.864(14) . ?
Si1_8 C4_8 1.880(14) . ?
Si1_8 C3_8 1.883(14) . ?
Si1_81 C2_81 1.871(11) . ?
Si1_81 C3_81 1.875(11) . ?
Si1_81 C4_81 1.882(10) . ?
Si1_9 C4_9 1.853(14) . ?
Si1_9 C2_9 1.864(14) . ?
Si1_9 C3_9 1.869(14) . ?
Si1_91 C4_91 1.873(11) . ?
Si1_91 C2_91 1.879(11) . ?
Si1_91 C3_91 1.880(10) . ?
Si1_10 C4_10 1.872(14) . ?
Si1_10 C2_10 1.890(14) . ?
Si1_10 C3_10 1.894(14) . ?
Si1_101 C4_101 1.857(10) . ?
Si1_101 C2_101 1.863(10) . ?
Si1_101 C3_101 1.886(10) . ?
Si1_11 C2_11 1.934(8) . ?
Si1_11 Si1_14 2.355(5) . ?
Si1_11 Si1_141 2.357(6) . ?
Si1_11 Si1_151 2.372(5) . ?
Si1_11 Si1_15 2.373(5) . ?
Si1_11 Si1_13 2.378(3) . ?
Sn1_11 C1_11 2.204(7) . ?
Sn1_11 C1_12 2.223(7) . ?
C1_11 C2_11 1.352(10) . ?
C1_11 C4_11 1.463(10) . ?
C2_11 C3_11 1.530(10) . ?
C4_11 C5_11 1.392(10) . ?
C4_11 C9_11 1.417(11) . ?
C5_11 C6_11 1.395(12) . ?
C6_11 C7_11 1.375(14) . ?
C7_11 C8_11 1.365(13) . ?
C8_11 C9_11 1.403(12) . ?
C1_12 C2_12 1.387(10) . ?
C1_12 C6_12 1.417(9) . ?
C2_12 C3_12 1.396(10) . ?
C2_12 C7_12 1.505(10) . ?
C3_12 C4_12 1.397(11) . ?
C4_12 C5_12 1.381(11) . ?
C5_12 C6_12 1.394(10) . ?
C6_12 C16_12 1.494(10) . ?
C7_12 C8_12 1.409(10) . ?
C7_12 C12_12 1.417(10) . ?
C8_12 C9_12 1.412(10) . ?
C8_12 C13_12 1.503(10) . ?
C9_12 C10_12 1.389(10) . ?
C10_12 C11_12 1.380(10) . ?
C10_12 C14_12 1.519(10) . ?
C11_12 C12_12 1.390(10) . ?
C12_12 C15_12 1.499(10) . ?
C16_12 C17_12 1.414(10) . ?
C16_12 C21_12 1.422(11) . ?
C17_12 C18_12 1.385(11) . ?
C17_12 C22_12 1.500(11) . ?
C18_12 C19_12 1.371(13) . ?
C19_12 C20_12 1.385(12) . ?
C19_12 C23_12 1.514(12) . ?
C20_12 C21_12 1.394(11) . ?
C21_12 C24_12 1.504(11) . ?
Si1_13 C4_13 1.869(9) . ?
Si1_13 C2_13 1.872(8) . ?
Si1_13 C3_13 1.882(8) . ?
Si1_14 C2_14 1.856(12) . ?
Si1_14 C4_14 1.871(12) . ?
Si1_14 C3_14 1.878(12) . ?
Si1_141 C4_141 1.874(13) . ?
Si1_141 C2_141 1.880(13) . ?
Si1_141 C3_141 1.883(12) . ?
Si1_15 C3_15 1.866(13) . ?
Si1_15 C4_15 1.873(13) . ?
Si1_15 C2_15 1.881(12) . ?
Si1_151 C4_151 1.857(13) . ?
Si1_151 C2_151 1.885(13) . ?
Si1_151 C3_151 1.886(13) . ?
Si1_16 C2_16 1.924(8) . ?
Si1_16 Si1_20 2.365(6) . ?
Si1_16 Si1_181 2.366(5) . ?
Si1_16 Si1_18 2.370(6) . ?
Si1_16 Si1_191 2.374(5) . ?
Si1_16 Si1_19 2.374(6) . ?
Si1_16 Si1_201 2.375(5) . ?
Sn1_16 C1_16 2.192(7) . ?
Sn1_16 C1_17 2.216(7) . ?
C1_16 C2_16 1.360(10) . ?
C1_16 C4_16 1.481(10) . ?
C2_16 C3_16 1.523(10) . ?
C4_16 C5_16 1.395(10) . ?
C4_16 C9_16 1.408(10) . ?
C5_16 C6_16 1.391(11) . ?
C6_16 C7_16 1.391(11) . ?
C7_16 C8_16 1.384(11) . ?
C8_16 C9_16 1.374(11) . ?
C1_17 C6_17 1.405(9) . ?
C1_17 C2_17 1.410(9) . ?
C2_17 C3_17 1.389(10) . ?
C2_17 C7_17 1.505(9) . ?
C3_17 C4_17 1.392(10) . ?
C4_17 C5_17 1.393(10) . ?
C5_17 C6_17 1.392(10) . ?
C6_17 C16_17 1.502(9) . ?
C7_17 C8_17 1.393(9) . ?
C7_17 C12_17 1.413(10) . ?
C8_17 C9_17 1.404(10) . ?
C8_17 C13_17 1.515(10) . ?
C9_17 C10_17 1.396(11) . ?
C10_17 C11_17 1.367(11) . ?
C10_17 C14_17 1.530(12) . ?
C11_17 C12_17 1.396(11) . ?
C12_17 C15_17 1.503(10) . ?
C16_17 C17_17 1.397(10) . ?
C16_17 C21_17 1.421(9) . ?
C17_17 C18_17 1.397(10) . ?
C17_17 C22_17 1.525(9) . ?
C18_17 C19_17 1.408(10) . ?
C19_17 C20_17 1.397(10) . ?
C19_17 C23_17 1.501(10) . ?
C20_17 C21_17 1.379(10) . ?
C21_17 C24_17 1.498(10) . ?
Si1_18 C2_18 1.876(13) . ?
Si1_18 C4_18 1.884(13) . ?
Si1_18 C3_18 1.886(13) . ?
Si1_181 C3_181 1.859(12) . ?
Si1_181 C2_181 1.871(12) . ?
Si1_181 C4_181 1.873(11) . ?
Si1_19 C3_19 1.870(12) . ?
Si1_19 C4_19 1.878(13) . ?
Si1_19 C2_19 1.880(13) . ?
Si1_191 C3_191 1.872(12) . ?
Si1_191 C4_191 1.873(12) . ?
Si1_191 C2_191 1.874(12) . ?
Si1_20 C2_20 1.856(12) . ?
Si1_20 C4_20 1.866(13) . ?
Si1_20 C3_20 1.883(13) . ?
Si1_201 C2_201 1.877(12) . ?
Si1_201 C4_201 1.886(12) . ?
Si1_201 C3_201 1.895(12) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2_1 Si1_1 Si1_41 110.4(5) . . ?
C2_1 Si1_1 Si1_4 104.8(7) . . ?
C2_1 Si1_1 Si1_3 109.2(2) . . ?
Si1_41 Si1_1 Si1_3 104.1(5) . . ?
Si1_4 Si1_1 Si1_3 105.7(6) . . ?
C2_1 Si1_1 Si1_5 115.9(6) . . ?
Si1_4 Si1_1 Si1_5 117.3(8) . . ?
Si1_3 Si1_1 Si1_5 103.4(5) . . ?
C2_1 Si1_1 Si1_51 111.0(4) . . ?
Si1_41 Si1_1 Si1_51 119.7(6) . . ?
Si1_3 Si1_1 Si1_51 101.4(4) . . ?
C1_1 Sn1_1 C1_2 105.5(3) . . ?
C2_1 C1_1 C4_1 119.8(6) . . ?
C2_1 C1_1 Sn1_1 114.8(5) . . ?
C4_1 C1_1 Sn1_1 125.0(5) . . ?
C1_1 C2_1 C3_1 120.5(7) . . ?
C1_1 C2_1 Si1_1 128.3(5) . . ?
C3_1 C2_1 Si1_1 111.2(5) . . ?
C5_1 C4_1 C9_1 118.0(7) . . ?
C5_1 C4_1 C1_1 121.1(7) . . ?
C9_1 C4_1 C1_1 120.8(7) . . ?
C4_1 C5_1 C6_1 120.6(8) . . ?
C7_1 C6_1 C5_1 119.6(8) . . ?
C8_1 C7_1 C6_1 120.5(8) . . ?
C7_1 C8_1 C9_1 119.8(8) . . ?
C8_1 C9_1 C4_1 121.4(8) . . ?
C2_2 C1_2 C6_2 118.4(6) . . ?
C2_2 C1_2 Sn1_1 115.6(5) . . ?
C6_2 C1_2 Sn1_1 125.1(5) . . ?
C1_2 C2_2 C3_2 120.8(6) . . ?
C1_2 C2_2 C7_2 118.0(6) . . ?
C3_2 C2_2 C7_2 121.1(6) . . ?
C4_2 C3_2 C2_2 120.3(7) . . ?
C3_2 C4_2 C5_2 119.9(7) . . ?
C4_2 C5_2 C6_2 120.8(7) . . ?
C5_2 C6_2 C1_2 119.7(7) . . ?
C5_2 C6_2 C16_2 119.8(6) . . ?
C1_2 C6_2 C16_2 120.5(6) . . ?
C8_2 C7_2 C12_2 119.2(6) . . ?
C8_2 C7_2 C2_2 120.6(6) . . ?
C12_2 C7_2 C2_2 120.2(6) . . ?
C9_2 C8_2 C7_2 119.8(6) . . ?
C9_2 C8_2 C13_2 119.3(6) . . ?
C7_2 C8_2 C13_2 120.9(6) . . ?
C8_2 C9_2 C10_2 121.6(7) . . ?
C11_2 C10_2 C9_2 118.4(7) . . ?
C11_2 C10_2 C14_2 120.9(7) . . ?
C9_2 C10_2 C14_2 120.7(7) . . ?
C10_2 C11_2 C12_2 121.5(7) . . ?
C11_2 C12_2 C7_2 119.4(7) . . ?
C11_2 C12_2 C15_2 119.0(6) . . ?
C7_2 C12_2 C15_2 121.4(6) . . ?
C17_2 C16_2 C21_2 118.8(7) . . ?
C17_2 C16_2 C6_2 120.1(7) . . ?
C21_2 C16_2 C6_2 121.1(7) . . ?
C18_2 C17_2 C16_2 119.3(8) . . ?
C18_2 C17_2 C22_2 119.2(7) . . ?
C16_2 C17_2 C22_2 121.3(7) . . ?
C19_2 C18_2 C17_2 122.2(8) . . ?
C18_2 C19_2 C20_2 118.1(8) . . ?
C18_2 C19_2 C23_2 121.8(9) . . ?
C20_2 C19_2 C23_2 120.1(9) . . ?
C21_2 C20_2 C19_2 122.3(8) . . ?
C20_2 C21_2 C16_2 118.9(8) . . ?
C20_2 C21_2 C24_2 120.3(8) . . ?
C16_2 C21_2 C24_2 120.8(7) . . ?
C2_3 Si1_3 C4_3 106.5(5) . . ?
C2_3 Si1_3 C3_3 105.5(5) . . ?
C4_3 Si1_3 C3_3 109.1(5) . . ?
C2_3 Si1_3 Si1_1 116.9(3) . . ?
C4_3 Si1_3 Si1_1 107.5(3) . . ?
C3_3 Si1_3 Si1_1 111.1(4) . . ?
C4_4 Si1_4 C2_4 104.7(11) . . ?
C4_4 Si1_4 C3_4 107.0(11) . . ?
C2_4 Si1_4 C3_4 106.1(12) . . ?
C4_4 Si1_4 Si1_1 113.5(13) . . ?
C2_4 Si1_4 Si1_1 119.2(14) . . ?
C3_4 Si1_4 Si1_1 105.6(13) . . ?
C2_41 Si1_41 C3_41 111.8(9) . . ?
C2_41 Si1_41 C4_41 106.1(9) . . ?
C3_41 Si1_41 C4_41 107.1(9) . . ?
C2_41 Si1_41 Si1_1 111.1(10) . . ?
C3_41 Si1_41 Si1_1 107.2(10) . . ?
C4_41 Si1_41 Si1_1 113.4(10) . . ?
C4_5 Si1_5 C3_5 111.0(12) . . ?
C4_5 Si1_5 C2_5 106.0(12) . . ?
C3_5 Si1_5 C2_5 107.0(13) . . ?
C4_5 Si1_5 Si1_1 114.3(11) . . ?
C3_5 Si1_5 Si1_1 109.3(11) . . ?
C2_5 Si1_5 Si1_1 109.0(18) . . ?
C4_51 Si1_51 C2_51 102.7(10) . . ?
C4_51 Si1_51 C3_51 107.7(9) . . ?
C2_51 Si1_51 C3_51 106.4(11) . . ?
C4_51 Si1_51 Si1_1 118.4(8) . . ?
C2_51 Si1_51 Si1_1 113.6(14) . . ?
C3_51 Si1_51 Si1_1 107.4(8) . . ?
C2_6 Si1_6 Si1_9 114.2(7) . . ?
C2_6 Si1_6 Si1_8 111.8(11) . . ?
Si1_9 Si1_6 Si1_8 97.2(13) . . ?
C2_6 Si1_6 Si1_81 108.7(5) . . ?
C2_6 Si1_6 Si1_91 106.5(3) . . ?
Si1_81 Si1_6 Si1_91 106.9(5) . . ?
C2_6 Si1_6 Si1_101 117.6(3) . . ?
Si1_81 Si1_6 Si1_101 102.1(4) . . ?
Si1_91 Si1_6 Si1_101 114.5(3) . . ?
C2_6 Si1_6 Si1_10 103.3(4) . . ?
Si1_9 Si1_6 Si1_10 123.9(8) . . ?
Si1_8 Si1_6 Si1_10 106.0(11) . . ?
C1_6 Sn1_6 C1_7 105.8(3) . . ?
C2_6 C1_6 C4_6 120.6(7) . . ?
C2_6 C1_6 Sn1_6 114.4(6) . . ?
C4_6 C1_6 Sn1_6 124.8(5) . . ?
C1_6 C2_6 C3_6 119.9(7) . . ?
C1_6 C2_6 Si1_6 128.7(6) . . ?
C3_6 C2_6 Si1_6 111.4(5) . . ?
C9_6 C4_6 C5_6 117.2(7) . . ?
C9_6 C4_6 C1_6 122.4(6) . . ?
C5_6 C4_6 C1_6 120.3(7) . . ?
C6_6 C5_6 C4_6 121.3(7) . . ?
C7_6 C6_6 C5_6 120.7(7) . . ?
C6_6 C7_6 C8_6 119.1(7) . . ?
C7_6 C8_6 C9_6 120.4(7) . . ?
C8_6 C9_6 C4_6 121.3(7) . . ?
C6_7 C1_7 C2_7 118.6(6) . . ?
C6_7 C1_7 Sn1_6 117.8(5) . . ?
C2_7 C1_7 Sn1_6 123.0(5) . . ?
C3_7 C2_7 C1_7 120.5(6) . . ?
C3_7 C2_7 C7_7 119.5(6) . . ?
C1_7 C2_7 C7_7 119.9(6) . . ?
C2_7 C3_7 C4_7 119.9(7) . . ?
C5_7 C4_7 C3_7 120.3(7) . . ?
C4_7 C5_7 C6_7 120.7(7) . . ?
C5_7 C6_7 C1_7 119.9(6) . . ?
C5_7 C6_7 C16_7 121.8(6) . . ?
C1_7 C6_7 C16_7 118.3(6) . . ?
C12_7 C7_7 C8_7 118.8(7) . . ?
C12_7 C7_7 C2_7 122.2(7) . . ?
C8_7 C7_7 C2_7 118.9(6) . . ?
C9_7 C8_7 C7_7 119.1(7) . . ?
C9_7 C8_7 C13_7 118.4(7) . . ?
C7_7 C8_7 C13_7 122.4(7) . . ?
C10_7 C9_7 C8_7 121.6(8) . . ?
C11_7 C10_7 C9_7 118.3(8) . . ?
C11_7 C10_7 C14_7 120.4(9) . . ?
C9_7 C10_7 C14_7 121.3(9) . . ?
C10_7 C11_7 C12_7 122.6(8) . . ?
C11_7 C12_7 C7_7 119.3(7) . . ?
C11_7 C12_7 C15_7 120.0(7) . . ?
C7_7 C12_7 C15_7 120.7(7) . . ?
C17_7 C16_7 C21_7 119.6(6) . . ?
C17_7 C16_7 C6_7 120.3(6) . . ?
C21_7 C16_7 C6_7 120.0(6) . . ?
C18_7 C17_7 C16_7 119.4(6) . . ?
C18_7 C17_7 C22_7 120.1(6) . . ?
C16_7 C17_7 C22_7 120.4(6) . . ?
C17_7 C18_7 C19_7 122.4(7) . . ?
C20_7 C19_7 C18_7 117.4(6) . . ?
C20_7 C19_7 C23_7 121.6(7) . . ?
C18_7 C19_7 C23_7 121.1(7) . . ?
C19_7 C20_7 C21_7 122.1(7) . . ?
C20_7 C21_7 C16_7 118.8(6) . . ?
C20_7 C21_7 C24_7 118.2(6) . . ?
C16_7 C21_7 C24_7 122.8(6) . . ?
C2_8 Si1_8 C4_8 105.7(13) . . ?
C2_8 Si1_8 C3_8 108.7(14) . . ?
C4_8 Si1_8 C3_8 105.6(14) . . ?
C2_8 Si1_8 Si1_6 121(2) . . ?
C4_8 Si1_8 Si1_6 112(2) . . ?
C3_8 Si1_8 Si1_6 104(2) . . ?
C2_81 Si1_81 C3_81 108.4(8) . . ?
C2_81 Si1_81 C4_81 105.1(8) . . ?
C3_81 Si1_81 C4_81 105.8(8) . . ?
C2_81 Si1_81 Si1_6 110.3(8) . . ?
C3_81 Si1_81 Si1_6 108.3(9) . . ?
C4_81 Si1_81 Si1_6 118.4(8) . . ?
C4_9 Si1_9 C2_9 108.3(14) . . ?
C4_9 Si1_9 C3_9 111.3(15) . . ?
C2_9 Si1_9 C3_9 108.3(14) . . ?
C4_9 Si1_9 Si1_6 105.7(16) . . ?
C2_9 Si1_9 Si1_6 113.0(18) . . ?
C3_9 Si1_9 Si1_6 110(2) . . ?
C4_91 Si1_91 C2_91 106.5(8) . . ?
C4_91 Si1_91 C3_91 108.7(7) . . ?
C2_91 Si1_91 C3_91 104.3(7) . . ?
C4_91 Si1_91 Si1_6 105.3(6) . . ?
C2_91 Si1_91 Si1_6 113.7(7) . . ?
C3_91 Si1_91 Si1_6 117.8(7) . . ?
C4_10 Si1_10 C2_10 105.6(12) . . ?
C4_10 Si1_10 C3_10 106.2(14) . . ?
C2_10 Si1_10 C3_10 102.8(13) . . ?
C4_10 Si1_10 Si1_6 113.8(10) . . ?
C2_10 Si1_10 Si1_6 110.7(11) . . ?
C3_10 Si1_10 Si1_6 116.7(16) . . ?
C4_101 Si1_101 C2_101 110.2(6) . . ?
C4_101 Si1_101 C3_101 105.0(7) . . ?
C2_101 Si1_101 C3_101 107.6(7) . . ?
C4_101 Si1_101 Si1_6 113.1(4) . . ?
C2_101 Si1_101 Si1_6 111.0(4) . . ?
C3_101 Si1_101 Si1_6 109.7(6) . . ?
C2_11 Si1_11 Si1_14 110.4(5) . . ?
C2_11 Si1_11 Si1_141 104.9(6) . . ?
C2_11 Si1_11 Si1_151 117.6(5) . . ?
Si1_141 Si1_11 Si1_151 116.0(6) . . ?
C2_11 Si1_11 Si1_15 111.5(4) . . ?
Si1_14 Si1_11 Si1_15 120.4(6) . . ?
C2_11 Si1_11 Si1_13 108.8(2) . . ?
Si1_14 Si1_11 Si1_13 101.9(5) . . ?
Si1_141 Si1_11 Si1_13 106.3(5) . . ?
Si1_151 Si1_11 Si1_13 102.5(4) . . ?
Si1_15 Si1_11 Si1_13 102.5(4) . . ?
C1_11 Sn1_11 C1_12 105.7(3) . . ?
C2_11 C1_11 C4_11 121.5(7) . . ?
C2_11 C1_11 Sn1_11 115.0(5) . . ?
C4_11 C1_11 Sn1_11 123.0(5) . . ?
C1_11 C2_11 C3_11 120.1(7) . . ?
C1_11 C2_11 Si1_11 128.3(6) . . ?
C3_11 C2_11 Si1_11 111.6(5) . . ?
C5_11 C4_11 C9_11 117.2(7) . . ?
C5_11 C4_11 C1_11 123.4(7) . . ?
C9_11 C4_11 C1_11 119.3(7) . . ?
C4_11 C5_11 C6_11 121.5(8) . . ?
C7_11 C6_11 C5_11 119.7(8) . . ?
C8_11 C7_11 C6_11 121.0(8) . . ?
C7_11 C8_11 C9_11 119.9(9) . . ?
C8_11 C9_11 C4_11 120.6(8) . . ?
C2_12 C1_12 C6_12 119.0(6) . . ?
C2_12 C1_12 Sn1_11 116.3(5) . . ?
C6_12 C1_12 Sn1_11 123.6(5) . . ?
C1_12 C2_12 C3_12 120.7(7) . . ?
C1_12 C2_12 C7_12 118.4(6) . . ?
C3_12 C2_12 C7_12 120.8(6) . . ?
C2_12 C3_12 C4_12 120.1(7) . . ?
C5_12 C4_12 C3_12 119.5(7) . . ?
C4_12 C5_12 C6_12 121.1(7) . . ?
C5_12 C6_12 C1_12 119.5(7) . . ?
C5_12 C6_12 C16_12 119.6(6) . . ?
C1_12 C6_12 C16_12 120.9(6) . . ?
C8_12 C7_12 C12_12 119.8(6) . . ?
C8_12 C7_12 C2_12 119.8(6) . . ?
C12_12 C7_12 C2_12 120.3(6) . . ?
C7_12 C8_12 C9_12 118.8(7) . . ?
C7_12 C8_12 C13_12 122.0(6) . . ?
C9_12 C8_12 C13_12 119.1(6) . . ?
C10_12 C9_12 C8_12 121.2(7) . . ?
C11_12 C10_12 C9_12 119.0(7) . . ?
C11_12 C10_12 C14_12 120.8(7) . . ?
C9_12 C10_12 C14_12 120.2(7) . . ?
C10_12 C11_12 C12_12 122.3(7) . . ?
C11_12 C12_12 C7_12 118.8(7) . . ?
C11_12 C12_12 C15_12 120.5(7) . . ?
C7_12 C12_12 C15_12 120.7(7) . . ?
C17_12 C16_12 C21_12 119.0(7) . . ?
C17_12 C16_12 C6_12 120.9(7) . . ?
C21_12 C16_12 C6_12 120.2(7) . . ?
C18_12 C17_12 C16_12 118.1(8) . . ?
C18_12 C17_12 C22_12 121.0(7) . . ?
C16_12 C17_12 C22_12 120.8(7) . . ?
C19_12 C18_12 C17_12 123.9(8) . . ?
C18_12 C19_12 C20_12 117.8(8) . . ?
C18_12 C19_12 C23_12 120.8(9) . . ?
C20_12 C19_12 C23_12 121.4(9) . . ?
C19_12 C20_12 C21_12 121.6(8) . . ?
C20_12 C21_12 C16_12 119.4(7) . . ?
C20_12 C21_12 C24_12 119.4(8) . . ?
C16_12 C21_12 C24_12 121.1(7) . . ?
C4_13 Si1_13 C2_13 106.1(5) . . ?
C4_13 Si1_13 C3_13 108.4(5) . . ?
C2_13 Si1_13 C3_13 106.7(5) . . ?
C4_13 Si1_13 Si1_11 111.7(4) . . ?
C2_13 Si1_13 Si1_11 116.6(3) . . ?
C3_13 Si1_13 Si1_11 107.0(3) . . ?
C2_14 Si1_14 C4_14 107.7(10) . . ?
C2_14 Si1_14 C3_14 110.9(10) . . ?
C4_14 Si1_14 C3_14 106.5(10) . . ?
C2_14 Si1_14 Si1_11 107.8(10) . . ?
C4_14 Si1_14 Si1_11 114.0(10) . . ?
C3_14 Si1_14 Si1_11 109.9(11) . . ?
C4_141 Si1_141 C2_141 105.6(10) . . ?
C4_141 Si1_141 C3_141 105.1(11) . . ?
C2_141 Si1_141 C3_141 107.5(11) . . ?
C4_141 Si1_141 Si1_11 113.0(11) . . ?
C2_141 Si1_141 Si1_11 104.4(11) . . ?
C3_141 Si1_141 Si1_11 120.3(13) . . ?
C3_15 Si1_15 C4_15 109.7(10) . . ?
C3_15 Si1_15 C2_15 103.8(10) . . ?
C4_15 Si1_15 C2_15 106.1(10) . . ?
C3_15 Si1_15 Si1_11 115.6(8) . . ?
C4_15 Si1_15 Si1_11 107.8(7) . . ?
C2_15 Si1_15 Si1_11 113.4(11) . . ?
C4_151 Si1_151 C2_151 104.7(11) . . ?
C4_151 Si1_151 C3_151 108.6(11) . . ?
C2_151 Si1_151 C3_151 106.6(11) . . ?
C4_151 Si1_151 Si1_11 115.7(9) . . ?
C2_151 Si1_151 Si1_11 110.8(11) . . ?
C3_151 Si1_151 Si1_11 110.0(8) . . ?
C2_16 Si1_16 Si1_20 118.9(4) . . ?
C2_16 Si1_16 Si1_181 111.7(5) . . ?
C2_16 Si1_16 Si1_18 105.5(6) . . ?
Si1_20 Si1_16 Si1_18 114.9(7) . . ?
C2_16 Si1_16 Si1_191 110.8(6) . . ?
Si1_181 Si1_16 Si1_191 101.0(6) . . ?
C2_16 Si1_16 Si1_19 107.6(7) . . ?
Si1_20 Si1_16 Si1_19 100.1(7) . . ?
Si1_18 Si1_16 Si1_19 109.4(8) . . ?
C2_16 Si1_16 Si1_201 107.4(3) . . ?
Si1_181 Si1_16 Si1_201 119.8(5) . . ?
Si1_191 Si1_16 Si1_201 105.7(6) . . ?
C1_16 Sn1_16 C1_17 105.5(3) . . ?
C2_16 C1_16 C4_16 119.9(7) . . ?
C2_16 C1_16 Sn1_16 114.2(5) . . ?
C4_16 C1_16 Sn1_16 125.6(5) . . ?
C1_16 C2_16 C3_16 119.4(7) . . ?
C1_16 C2_16 Si1_16 128.5(6) . . ?
C3_16 C2_16 Si1_16 112.2(5) . . ?
C5_16 C4_16 C9_16 116.9(7) . . ?
C5_16 C4_16 C1_16 122.6(6) . . ?
C9_16 C4_16 C1_16 120.4(6) . . ?
C6_16 C5_16 C4_16 121.7(7) . . ?
C5_16 C6_16 C7_16 120.3(7) . . ?
C8_16 C7_16 C6_16 118.4(8) . . ?
C9_16 C8_16 C7_16 121.6(8) . . ?
C8_16 C9_16 C4_16 121.1(7) . . ?
C6_17 C1_17 C2_17 118.6(6) . . ?
C6_17 C1_17 Sn1_16 117.0(5) . . ?
C2_17 C1_17 Sn1_16 123.5(5) . . ?
C3_17 C2_17 C1_17 120.5(7) . . ?
C3_17 C2_17 C7_17 119.2(6) . . ?
C1_17 C2_17 C7_17 120.2(6) . . ?
C2_17 C3_17 C4_17 120.2(7) . . ?
C3_17 C4_17 C5_17 119.7(7) . . ?
C6_17 C5_17 C4_17 120.5(7) . . ?
C5_17 C6_17 C1_17 120.2(6) . . ?
C5_17 C6_17 C16_17 122.0(6) . . ?
C1_17 C6_17 C16_17 117.8(6) . . ?
C8_17 C7_17 C12_17 119.2(6) . . ?
C8_17 C7_17 C2_17 121.5(6) . . ?
C12_17 C7_17 C2_17 119.2(6) . . ?
C7_17 C8_17 C9_17 120.5(7) . . ?
C7_17 C8_17 C13_17 121.9(7) . . ?
C9_17 C8_17 C13_17 117.6(7) . . ?
C10_17 C9_17 C8_17 119.7(7) . . ?
C11_17 C10_17 C9_17 119.6(7) . . ?
C11_17 C10_17 C14_17 121.4(8) . . ?
C9_17 C10_17 C14_17 119.0(8) . . ?
C10_17 C11_17 C12_17 121.9(7) . . ?
C11_17 C12_17 C7_17 118.9(7) . . ?
C11_17 C12_17 C15_17 119.7(7) . . ?
C7_17 C12_17 C15_17 121.4(7) . . ?
C17_17 C16_17 C21_17 119.3(6) . . ?
C17_17 C16_17 C6_17 121.0(6) . . ?
C21_17 C16_17 C6_17 119.7(6) . . ?
C18_17 C17_17 C16_17 119.7(6) . . ?
C18_17 C17_17 C22_17 117.8(6) . . ?
C16_17 C17_17 C22_17 122.2(6) . . ?
C17_17 C18_17 C19_17 121.8(7) . . ?
C20_17 C19_17 C18_17 117.0(6) . . ?
C20_17 C19_17 C23_17 121.6(7) . . ?
C18_17 C19_17 C23_17 121.3(7) . . ?
C21_17 C20_17 C19_17 122.8(7) . . ?
C20_17 C21_17 C16_17 119.2(6) . . ?
C20_17 C21_17 C24_17 120.0(6) . . ?
C16_17 C21_17 C24_17 120.7(6) . . ?
C2_18 Si1_18 C4_18 104.0(11) . . ?
C2_18 Si1_18 C3_18 106.0(11) . . ?
C4_18 Si1_18 C3_18 107.5(11) . . ?
C2_18 Si1_18 Si1_16 114.3(12) . . ?
C4_18 Si1_18 Si1_16 119.5(13) . . ?
C3_18 Si1_18 Si1_16 104.7(12) . . ?
C3_181 Si1_181 C2_181 107.8(9) . . ?
C3_181 Si1_181 C4_181 111.5(10) . . ?
C2_181 Si1_181 C4_181 106.4(9) . . ?
C3_181 Si1_181 Si1_16 105.8(10) . . ?
C2_181 Si1_181 Si1_16 112.9(10) . . ?
C4_181 Si1_181 Si1_16 112.5(10) . . ?
C3_19 Si1_19 C4_19 106.8(11) . . ?
C3_19 Si1_19 C2_19 106.4(10) . . ?
C4_19 Si1_19 C2_19 106.2(10) . . ?
C3_19 Si1_19 Si1_16 119.0(12) . . ?
C4_19 Si1_19 Si1_16 108.5(13) . . ?
C2_19 Si1_19 Si1_16 109.3(11) . . ?
C3_191 Si1_191 C4_191 106.9(9) . . ?
C3_191 Si1_191 C2_191 105.4(9) . . ?
C4_191 Si1_191 C2_191 108.5(9) . . ?
C3_191 Si1_191 Si1_16 114.4(10) . . ?
C4_191 Si1_191 Si1_16 106.1(10) . . ?
C2_191 Si1_191 Si1_16 115.1(9) . . ?
C2_20 Si1_20 C4_20 110.4(10) . . ?
C2_20 Si1_20 C3_20 106.7(11) . . ?
C4_20 Si1_20 C3_20 107.4(10) . . ?
C2_20 Si1_20 Si1_16 112.1(8) . . ?
C4_20 Si1_20 Si1_16 110.3(8) . . ?
C3_20 Si1_20 Si1_16 109.8(10) . . ?
C2_201 Si1_201 C4_201 106.7(9) . . ?
C2_201 Si1_201 C3_201 107.5(10) . . ?
C4_201 Si1_201 C3_201 102.2(8) . . ?
C2_201 Si1_201 Si1_16 110.6(6) . . ?
C4_201 Si1_201 Si1_16 116.7(7) . . ?
C3_201 Si1_201 Si1_16 112.5(8) . . ?

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
C4_1 C1_1 C2_1 C3_1 8.1(11) . . . . ?
Sn1_1 C1_1 C2_1 C3_1 -165.3(5) . . . . ?
C4_1 C1_1 C2_1 Si1_1 -173.6(5) . . . . ?
Sn1_1 C1_1 C2_1 Si1_1 13.0(9) . . . . ?
C2_1 C1_1 C4_1 C5_1 -109.5(8) . . . . ?
Sn1_1 C1_1 C4_1 C5_1 63.2(9) . . . . ?
C2_1 C1_1 C4_1 C9_1 70.6(10) . . . . ?
Sn1_1 C1_1 C4_1 C9_1 -116.8(7) . . . . ?
C9_1 C4_1 C5_1 C6_1 -2.1(11) . . . . ?
C1_1 C4_1 C5_1 C6_1 178.0(7) . . . . ?
C4_1 C5_1 C6_1 C7_1 0.4(12) . . . . ?
C5_1 C6_1 C7_1 C8_1 1.8(13) . . . . ?
C6_1 C7_1 C8_1 C9_1 -2.2(13) . . . . ?
C7_1 C8_1 C9_1 C4_1 0.3(13) . . . . ?
C5_1 C4_1 C9_1 C8_1 1.8(12) . . . . ?
C1_1 C4_1 C9_1 C8_1 -178.3(7) . . . . ?
C6_2 C1_2 C2_2 C3_2 3.2(10) . . . . ?
Sn1_1 C1_2 C2_2 C3_2 172.9(5) . . . . ?
C6_2 C1_2 C2_2 C7_2 -175.4(6) . . . . ?
Sn1_1 C1_2 C2_2 C7_2 -5.7(8) . . . . ?
C1_2 C2_2 C3_2 C4_2 -1.4(11) . . . . ?
C7_2 C2_2 C3_2 C4_2 177.1(7) . . . . ?
C2_2 C3_2 C4_2 C5_2 -0.2(11) . . . . ?
C3_2 C4_2 C5_2 C6_2 -0.2(12) . . . . ?
C4_2 C5_2 C6_2 C1_2 2.1(11) . . . . ?
C4_2 C5_2 C6_2 C16_2 -175.6(7) . . . . ?
C2_2 C1_2 C6_2 C5_2 -3.5(10) . . . . ?
Sn1_1 C1_2 C6_2 C5_2 -172.2(5) . . . . ?
C2_2 C1_2 C6_2 C16_2 174.2(6) . . . . ?
Sn1_1 C1_2 C6_2 C16_2 5.5(9) . . . . ?
C1_2 C2_2 C7_2 C8_2 -104.9(8) . . . . ?
C3_2 C2_2 C7_2 C8_2 76.5(9) . . . . ?
C1_2 C2_2 C7_2 C12_2 74.1(8) . . . . ?
C3_2 C2_2 C7_2 C12_2 -104.4(8) . . . . ?
C12_2 C7_2 C8_2 C9_2 -4.2(10) . . . . ?
C2_2 C7_2 C8_2 C9_2 174.8(6) . . . . ?
C12_2 C7_2 C8_2 C13_2 174.5(6) . . . . ?
C2_2 C7_2 C8_2 C13_2 -6.4(10) . . . . ?
C7_2 C8_2 C9_2 C10_2 2.2(11) . . . . ?
C13_2 C8_2 C9_2 C10_2 -176.6(7) . . . . ?
C8_2 C9_2 C10_2 C11_2 1.0(11) . . . . ?
C8_2 C9_2 C10_2 C14_2 -179.1(7) . . . . ?
C9_2 C10_2 C11_2 C12_2 -2.2(11) . . . . ?
C14_2 C10_2 C11_2 C12_2 177.9(7) . . . . ?
C10_2 C11_2 C12_2 C7_2 0.2(11) . . . . ?
C10_2 C11_2 C12_2 C15_2 175.1(7) . . . . ?
C8_2 C7_2 C12_2 C11_2 3.0(10) . . . . ?
C2_2 C7_2 C12_2 C11_2 -176.0(6) . . . . ?
C8_2 C7_2 C12_2 C15_2 -171.7(7) . . . . ?
C2_2 C7_2 C12_2 C15_2 9.2(10) . . . . ?
C5_2 C6_2 C16_2 C17_2 106.1(8) . . . . ?
C1_2 C6_2 C16_2 C17_2 -71.6(9) . . . . ?
C5_2 C6_2 C16_2 C21_2 -71.2(9) . . . . ?
C1_2 C6_2 C16_2 C21_2 111.1(8) . . . . ?
C21_2 C16_2 C17_2 C18_2 -3.6(10) . . . . ?
C6_2 C16_2 C17_2 C18_2 179.1(6) . . . . ?
C21_2 C16_2 C17_2 C22_2 172.9(6) . . . . ?
C6_2 C16_2 C17_2 C22_2 -4.5(10) . . . . ?
C16_2 C17_2 C18_2 C19_2 -1.4(12) . . . . ?
C22_2 C17_2 C18_2 C19_2 -178.0(7) . . . . ?
C17_2 C18_2 C19_2 C20_2 3.2(12) . . . . ?
C17_2 C18_2 C19_2 C23_2 -177.9(8) . . . . ?
C18_2 C19_2 C20_2 C21_2 0.2(12) . . . . ?
C23_2 C19_2 C20_2 C21_2 -178.7(8) . . . . ?
C19_2 C20_2 C21_2 C16_2 -5.1(11) . . . . ?
C19_2 C20_2 C21_2 C24_2 175.3(7) . . . . ?
C17_2 C16_2 C21_2 C20_2 6.7(10) . . . . ?
C6_2 C16_2 C21_2 C20_2 -175.9(6) . . . . ?
C17_2 C16_2 C21_2 C24_2 -173.6(7) . . . . ?
C6_2 C16_2 C21_2 C24_2 3.7(10) . . . . ?
C4_6 C1_6 C2_6 C3_6 7.0(10) . . . . ?
Sn1_6 C1_6 C2_6 C3_6 -168.4(5) . . . . ?
C4_6 C1_6 C2_6 Si1_6 -175.3(5) . . . . ?
Sn1_6 C1_6 C2_6 Si1_6 9.3(8) . . . . ?
C2_6 C1_6 C4_6 C9_6 -108.4(8) . . . . ?
Sn1_6 C1_6 C4_6 C9_6 66.5(9) . . . . ?
C2_6 C1_6 C4_6 C5_6 67.7(10) . . . . ?
Sn1_6 C1_6 C4_6 C5_6 -117.5(7) . . . . ?
C9_6 C4_6 C5_6 C6_6 1.4(11) . . . . ?
C1_6 C4_6 C5_6 C6_6 -174.8(7) . . . . ?
C4_6 C5_6 C6_6 C7_6 -1.1(12) . . . . ?
C5_6 C6_6 C7_6 C8_6 0.2(12) . . . . ?
C6_6 C7_6 C8_6 C9_6 0.3(11) . . . . ?
C7_6 C8_6 C9_6 C4_6 0.0(11) . . . . ?
C5_6 C4_6 C9_6 C8_6 -0.9(11) . . . . ?
C1_6 C4_6 C9_6 C8_6 175.3(7) . . . . ?
C6_7 C1_7 C2_7 C3_7 -3.7(10) . . . . ?
Sn1_6 C1_7 C2_7 C3_7 -174.3(5) . . . . ?
C6_7 C1_7 C2_7 C7_7 173.2(6) . . . . ?
Sn1_6 C1_7 C2_7 C7_7 2.7(9) . . . . ?
C1_7 C2_7 C3_7 C4_7 1.3(11) . . . . ?
C7_7 C2_7 C3_7 C4_7 -175.6(7) . . . . ?
C2_7 C3_7 C4_7 C5_7 1.3(11) . . . . ?
C3_7 C4_7 C5_7 C6_7 -1.4(11) . . . . ?
C4_7 C5_7 C6_7 C1_7 -1.1(11) . . . . ?
C4_7 C5_7 C6_7 C16_7 177.8(7) . . . . ?
C2_7 C1_7 C6_7 C5_7 3.6(10) . . . . ?
Sn1_6 C1_7 C6_7 C5_7 174.6(5) . . . . ?
C2_7 C1_7 C6_7 C16_7 -175.4(6) . . . . ?
Sn1_6 C1_7 C6_7 C16_7 -4.3(8) . . . . ?
C3_7 C2_7 C7_7 C12_7 -72.8(9) . . . . ?
C1_7 C2_7 C7_7 C12_7 110.3(8) . . . . ?
C3_7 C2_7 C7_7 C8_7 103.5(8) . . . . ?
C1_7 C2_7 C7_7 C8_7 -73.5(9) . . . . ?
C12_7 C7_7 C8_7 C9_7 -4.2(11) . . . . ?
C2_7 C7_7 C8_7 C9_7 179.4(7) . . . . ?
C12_7 C7_7 C8_7 C13_7 174.6(7) . . . . ?
C2_7 C7_7 C8_7 C13_7 -1.9(11) . . . . ?
C7_7 C8_7 C9_7 C10_7 0.0(13) . . . . ?
C13_7 C8_7 C9_7 C10_7 -178.9(8) . . . . ?
C8_7 C9_7 C10_7 C11_7 3.3(14) . . . . ?
C8_7 C9_7 C10_7 C14_7 -175.9(9) . . . . ?
C9_7 C10_7 C11_7 C12_7 -2.3(13) . . . . ?
C14_7 C10_7 C11_7 C12_7 176.9(9) . . . . ?
C10_7 C11_7 C12_7 C7_7 -2.0(12) . . . . ?
C10_7 C11_7 C12_7 C15_7 177.6(8) . . . . ?
C8_7 C7_7 C12_7 C11_7 5.2(11) . . . . ?
C2_7 C7_7 C12_7 C11_7 -178.5(7) . . . . ?
C8_7 C7_7 C12_7 C15_7 -174.3(7) . . . . ?
C2_7 C7_7 C12_7 C15_7 2.0(11) . . . . ?
C5_7 C6_7 C16_7 C17_7 71.9(9) . . . . ?
C1_7 C6_7 C16_7 C17_7 -109.2(7) . . . . ?
C5_7 C6_7 C16_7 C21_7 -106.2(8) . . . . ?
C1_7 C6_7 C16_7 C21_7 72.8(8) . . . . ?
C21_7 C16_7 C17_7 C18_7 -5.2(10) . . . . ?
C6_7 C16_7 C17_7 C18_7 176.7(6) . . . . ?
C21_7 C16_7 C17_7 C22_7 174.0(6) . . . . ?
C6_7 C16_7 C17_7 C22_7 -4.1(10) . . . . ?
C16_7 C17_7 C18_7 C19_7 2.2(11) . . . . ?
C22_7 C17_7 C18_7 C19_7 -176.9(7) . . . . ?
C17_7 C18_7 C19_7 C20_7 1.5(11) . . . . ?
C17_7 C18_7 C19_7 C23_7 -177.0(7) . . . . ?
C18_7 C19_7 C20_7 C21_7 -2.4(11) . . . . ?
C23_7 C19_7 C20_7 C21_7 176.2(7) . . . . ?
C19_7 C20_7 C21_7 C16_7 -0.6(11) . . . . ?
C19_7 C20_7 C21_7 C24_7 175.0(7) . . . . ?
C17_7 C16_7 C21_7 C20_7 4.4(10) . . . . ?
C6_7 C16_7 C21_7 C20_7 -177.5(6) . . . . ?
C17_7 C16_7 C21_7 C24_7 -170.9(6) . . . . ?
C6_7 C16_7 C21_7 C24_7 7.1(10) . . . . ?
C4_11 C1_11 C2_11 C3_11 -7.1(11) . . . . ?
Sn1_11 C1_11 C2_11 C3_11 165.0(6) . . . . ?
C4_11 C1_11 C2_11 Si1_11 174.7(5) . . . . ?
Sn1_11 C1_11 C2_11 Si1_11 -13.2(9) . . . . ?
C2_11 C1_11 C4_11 C5_11 107.3(9) . . . . ?
Sn1_11 C1_11 C4_11 C5_11 -64.1(9) . . . . ?
C2_11 C1_11 C4_11 C9_11 -70.0(10) . . . . ?
Sn1_11 C1_11 C4_11 C9_11 118.6(7) . . . . ?
C9_11 C4_11 C5_11 C6_11 1.0(11) . . . . ?
C1_11 C4_11 C5_11 C6_11 -176.4(7) . . . . ?
C4_11 C5_11 C6_11 C7_11 0.6(12) . . . . ?
C5_11 C6_11 C7_11 C8_11 -1.9(13) . . . . ?
C6_11 C7_11 C8_11 C9_11 1.5(13) . . . . ?
C7_11 C8_11 C9_11 C4_11 0.1(13) . . . . ?
C5_11 C4_11 C9_11 C8_11 -1.3(11) . . . . ?
C1_11 C4_11 C9_11 C8_11 176.2(7) . . . . ?
C6_12 C1_12 C2_12 C3_12 -3.3(11) . . . . ?
Sn1_11 C1_12 C2_12 C3_12 -172.0(6) . . . . ?
C6_12 C1_12 C2_12 C7_12 175.2(6) . . . . ?
Sn1_11 C1_12 C2_12 C7_12 6.5(8) . . . . ?
C1_12 C2_12 C3_12 C4_12 1.0(12) . . . . ?
C7_12 C2_12 C3_12 C4_12 -177.5(7) . . . . ?
C2_12 C3_12 C4_12 C5_12 1.2(12) . . . . ?
C3_12 C4_12 C5_12 C6_12 -1.0(12) . . . . ?
C4_12 C5_12 C6_12 C1_12 -1.3(11) . . . . ?
C4_12 C5_12 C6_12 C16_12 176.5(7) . . . . ?
C2_12 C1_12 C6_12 C5_12 3.4(10) . . . . ?
Sn1_11 C1_12 C6_12 C5_12 171.3(5) . . . . ?
C2_12 C1_12 C6_12 C16_12 -174.4(7) . . . . ?
Sn1_11 C1_12 C6_12 C16_12 -6.6(9) . . . . ?
C1_12 C2_12 C7_12 C8_12 -75.8(9) . . . . ?
C3_12 C2_12 C7_12 C8_12 102.7(9) . . . . ?
C1_12 C2_12 C7_12 C12_12 103.7(8) . . . . ?
C3_12 C2_12 C7_12 C12_12 -77.8(9) . . . . ?
C12_12 C7_12 C8_12 C9_12 -3.9(10) . . . . ?
C2_12 C7_12 C8_12 C9_12 175.7(6) . . . . ?
C12_12 C7_12 C8_12 C13_12 173.2(7) . . . . ?
C2_12 C7_12 C8_12 C13_12 -7.2(10) . . . . ?
C7_12 C8_12 C9_12 C10_12 1.3(11) . . . . ?
C13_12 C8_12 C9_12 C10_12 -175.9(7) . . . . ?
C8_12 C9_12 C10_12 C11_12 0.9(11) . . . . ?
C8_12 C9_12 C10_12 C14_12 -177.3(7) . . . . ?
C9_12 C10_12 C11_12 C12_12 -0.5(11) . . . . ?
C14_12 C10_12 C11_12 C12_12 177.7(7) . . . . ?
C10_12 C11_12 C12_12 C7_12 -2.1(11) . . . . ?
C10_12 C11_12 C12_12 C15_12 176.1(7) . . . . ?
C8_12 C7_12 C12_12 C11_12 4.3(10) . . . . ?
C2_12 C7_12 C12_12 C11_12 -175.3(6) . . . . ?
C8_12 C7_12 C12_12 C15_12 -173.9(6) . . . . ?
C2_12 C7_12 C12_12 C15_12 6.5(10) . . . . ?
C5_12 C6_12 C16_12 C17_12 72.8(9) . . . . ?
C1_12 C6_12 C16_12 C17_12 -109.3(8) . . . . ?
C5_12 C6_12 C16_12 C21_12 -106.5(8) . . . . ?
C1_12 C6_12 C16_12 C21_12 71.3(9) . . . . ?
C21_12 C16_12 C17_12 C18_12 -4.1(10) . . . . ?
C6_12 C16_12 C17_12 C18_12 176.5(7) . . . . ?
C21_12 C16_12 C17_12 C22_12 173.3(7) . . . . ?
C6_12 C16_12 C17_12 C22_12 -6.0(10) . . . . ?
C16_12 C17_12 C18_12 C19_12 1.7(12) . . . . ?
C22_12 C17_12 C18_12 C19_12 -175.7(8) . . . . ?
C17_12 C18_12 C19_12 C20_12 1.9(13) . . . . ?
C17_12 C18_12 C19_12 C23_12 -178.4(8) . . . . ?
C18_12 C19_12 C20_12 C21_12 -3.0(12) . . . . ?
C23_12 C19_12 C20_12 C21_12 177.3(8) . . . . ?
C19_12 C20_12 C21_12 C16_12 0.6(12) . . . . ?
C19_12 C20_12 C21_12 C24_12 177.4(8) . . . . ?
C17_12 C16_12 C21_12 C20_12 3.1(11) . . . . ?
C6_12 C16_12 C21_12 C20_12 -177.6(7) . . . . ?
C17_12 C16_12 C21_12 C24_12 -173.7(7) . . . . ?
C6_12 C16_12 C21_12 C24_12 5.6(11) . . . . ?
C4_16 C1_16 C2_16 C3_16 -6.7(10) . . . . ?
Sn1_16 C1_16 C2_16 C3_16 167.8(5) . . . . ?
C4_16 C1_16 C2_16 Si1_16 174.0(5) . . . . ?
Sn1_16 C1_16 C2_16 Si1_16 -11.6(8) . . . . ?
C2_16 C1_16 C4_16 C5_16 108.1(8) . . . . ?
Sn1_16 C1_16 C4_16 C5_16 -65.6(8) . . . . ?
C2_16 C1_16 C4_16 C9_16 -69.2(9) . . . . ?
Sn1_16 C1_16 C4_16 C9_16 117.0(7) . . . . ?
C9_16 C4_16 C5_16 C6_16 1.4(11) . . . . ?
C1_16 C4_16 C5_16 C6_16 -176.0(7) . . . . ?
C4_16 C5_16 C6_16 C7_16 -0.1(11) . . . . ?
C5_16 C6_16 C7_16 C8_16 -1.6(12) . . . . ?
C6_16 C7_16 C8_16 C9_16 1.8(12) . . . . ?
C7_16 C8_16 C9_16 C4_16 -0.5(13) . . . . ?
C5_16 C4_16 C9_16 C8_16 -1.2(11) . . . . ?
C1_16 C4_16 C9_16 C8_16 176.3(7) . . . . ?
C6_17 C1_17 C2_17 C3_17 5.9(10) . . . . ?
Sn1_16 C1_17 C2_17 C3_17 174.6(5) . . . . ?
C6_17 C1_17 C2_17 C7_17 -171.5(6) . . . . ?
Sn1_16 C1_17 C2_17 C7_17 -2.9(9) . . . . ?
C1_17 C2_17 C3_17 C4_17 -3.1(11) . . . . ?
C7_17 C2_17 C3_17 C4_17 174.5(7) . . . . ?
C2_17 C3_17 C4_17 C5_17 -0.2(11) . . . . ?
C3_17 C4_17 C5_17 C6_17 0.4(11) . . . . ?
C4_17 C5_17 C6_17 C1_17 2.6(11) . . . . ?
C4_17 C5_17 C6_17 C16_17 -177.1(6) . . . . ?
C2_17 C1_17 C6_17 C5_17 -5.7(10) . . . . ?
Sn1_16 C1_17 C6_17 C5_17 -175.1(5) . . . . ?
C2_17 C1_17 C6_17 C16_17 174.0(6) . . . . ?
Sn1_16 C1_17 C6_17 C16_17 4.6(8) . . . . ?
C3_17 C2_17 C7_17 C8_17 72.3(9) . . . . ?
C1_17 C2_17 C7_17 C8_17 -110.2(8) . . . . ?
C3_17 C2_17 C7_17 C12_17 -103.4(8) . . . . ?
C1_17 C2_17 C7_17 C12_17 74.1(9) . . . . ?
C12_17 C7_17 C8_17 C9_17 -5.0(10) . . . . ?
C2_17 C7_17 C8_17 C9_17 179.3(7) . . . . ?
C12_17 C7_17 C8_17 C13_17 174.1(7) . . . . ?
C2_17 C7_17 C8_17 C13_17 -1.6(11) . . . . ?
C7_17 C8_17 C9_17 C10_17 2.2(11) . . . . ?
C13_17 C8_17 C9_17 C10_17 -176.9(7) . . . . ?
C8_17 C9_17 C10_17 C11_17 1.6(12) . . . . ?
C8_17 C9_17 C10_17 C14_17 -178.6(8) . . . . ?
C9_17 C10_17 C11_17 C12_17 -2.7(12) . . . . ?
C14_17 C10_17 C11_17 C12_17 177.6(8) . . . . ?
C10_17 C11_17 C12_17 C7_17 -0.2(12) . . . . ?
C10_17 C11_17 C12_17 C15_17 178.5(7) . . . . ?
C8_17 C7_17 C12_17 C11_17 3.9(10) . . . . ?
C2_17 C7_17 C12_17 C11_17 179.8(7) . . . . ?
C8_17 C7_17 C12_17 C15_17 -174.7(7) . . . . ?
C2_17 C7_17 C12_17 C15_17 1.2(10) . . . . ?
C5_17 C6_17 C16_17 C17_17 107.5(8) . . . . ?
C1_17 C6_17 C16_17 C17_17 -72.2(9) . . . . ?
C5_17 C6_17 C16_17 C21_17 -71.6(9) . . . . ?
C1_17 C6_17 C16_17 C21_17 108.7(7) . . . . ?
C21_17 C16_17 C17_17 C18_17 -3.6(10) . . . . ?
C6_17 C16_17 C17_17 C18_17 177.3(6) . . . . ?
C21_17 C16_17 C17_17 C22_17 170.3(6) . . . . ?
C6_17 C16_17 C17_17 C22_17 -8.8(10) . . . . ?
C16_17 C17_17 C18_17 C19_17 0.9(11) . . . . ?
C22_17 C17_17 C18_17 C19_17 -173.2(7) . . . . ?
C17_17 C18_17 C19_17 C20_17 1.6(11) . . . . ?
C17_17 C18_17 C19_17 C23_17 -177.4(7) . . . . ?
C18_17 C19_17 C20_17 C21_17 -1.5(11) . . . . ?
C23_17 C19_17 C20_17 C21_17 177.5(7) . . . . ?
C19_17 C20_17 C21_17 C16_17 -1.1(11) . . . . ?
C19_17 C20_17 C21_17 C24_17 176.8(7) . . . . ?
C17_17 C16_17 C21_17 C20_17 3.7(10) . . . . ?
C6_17 C16_17 C21_17 C20_17 -177.2(6) . . . . ?
C17_17 C16_17 C21_17 C24_17 -174.2(6) . . . . ?
C6_17 C16_17 C21_17 C24_17 4.9(10) . . . . ?


