# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

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

data_1CH
_audit_block_doi                 10.5517/ccdc.csd.cc2l61sn
_database_code_depnum_ccdc_archive 'CCDC 2389101'
loop_
_audit_author_name
_audit_author_address
'Kang Mun Lee'
;Kangwon National University
South Korea
;
_audit_update_record             
;
2024-10-07 deposited with the CCDC.	2024-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H24 B10'
_chemical_formula_sum            'C17 H24 B10'
_chemical_formula_weight         336.46

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   6.9920(2)
_cell_length_b                   10.1133(3)
_cell_length_c                   27.3441(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1933.56(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    203(2)
_cell_measurement_reflns_used    9981
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      28.01

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_F_000             704
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.287
_exptl_crystal_size_mid          0.221
_exptl_crystal_size_min          0.042
_exptl_absorpt_coefficient_mu    0.057
_shelx_estimated_absorpt_T_min   0.984
_shelx_estimated_absorpt_T_max   0.998
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6561
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      203(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I\^I1/4S 3.0 Microfocus'
_diffrn_measurement_device_type  'PHOTON II 14'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21842
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.505
_diffrn_reflns_theta_max         28.021
_diffrn_reflns_theta_full        25.242
_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 0.999
_reflns_number_total             4675
_reflns_number_gt                4118
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.736
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX4'
_computing_cell_refinement       'Bruker APEX4'
_computing_data_reduction        'Bruker APEX4'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0606P)²+0.1492P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1585 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.4(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4675
_refine_ls_number_parameters     246
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1122
_refine_ls_wR_factor_gt          0.1057
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C2 C 0.6048(3) 0.41071(19) 0.38897(7) 0.0266(4) Uani 1 1 d . . . . .
B2 B 0.5615(4) 0.2132(3) 0.25857(9) 0.0359(5) Uani 1 1 d . . . . .
H2 H 0.444579 0.183017 0.233469 0.043 Uiso 1 1 calc R U . . .
C1 C 0.7038(3) 0.3919(2) 0.43278(7) 0.0284(4) Uani 1 1 d . . . . .
H1A H 0.809475 0.334591 0.433891 0.034 Uiso 1 1 calc R U . . .
B1 B 0.5305(4) 0.2093(2) 0.32301(9) 0.0324(5) Uani 1 1 d . . . . .
H1 H 0.394255 0.177425 0.340188 0.039 Uiso 1 1 calc R U . . .
C3 C 0.4468(3) 0.4953(2) 0.38800(7) 0.0309(4) Uani 1 1 d . . . . .
H3A H 0.379257 0.507514 0.358624 0.037 Uiso 1 1 calc R U . . .
B3 B 0.7179(4) 0.3458(3) 0.24363(9) 0.0343(5) Uani 1 1 d . . . . .
H3 H 0.702786 0.401851 0.208943 0.041 Uiso 1 1 calc R U . . .
C4 C 0.3882(3) 0.5619(2) 0.43005(8) 0.0312(4) Uani 1 1 d . . . . .
H4A H 0.282107 0.618955 0.429124 0.037 Uiso 1 1 calc R U . . .
B4 B 0.7855(4) 0.4254(2) 0.29878(8) 0.0316(5) Uani 1 1 d . . . . .
H4 H 0.813882 0.533283 0.300487 0.038 Uiso 1 1 calc R U . . .
C5 C 0.3345(3) 0.6915(2) 0.54018(8) 0.0329(5) Uani 1 1 d . . . . .
H5A H 0.239819 0.727132 0.519656 0.040 Uiso 1 1 calc R U . . .
B5 B 0.9132(3) 0.3102(2) 0.33494(8) 0.0293(5) Uani 1 1 d . . . . .
H5 H 1.027643 0.342672 0.360389 0.035 Uiso 1 1 calc R U . . .
C6 C 0.3469(4) 0.7295(2) 0.58885(9) 0.0400(5) Uani 1 1 d . . . . .
H6A H 0.259817 0.791637 0.601389 0.048 Uiso 1 1 calc R U . . .
B6 B 0.7565(3) 0.1778(2) 0.34989(8) 0.0300(5) Uani 1 1 d . . . . .
H6 H 0.768723 0.123858 0.385116 0.036 Uiso 1 1 calc R U . . .
C7 C 0.4865(4) 0.6767(2) 0.61923(8) 0.0427(6) Uani 1 1 d . . . . .
H7A H 0.491709 0.702528 0.652227 0.051 Uiso 1 1 calc R U . . .
B7 B 0.6901(4) 0.0975(2) 0.29492(9) 0.0344(5) Uani 1 1 d . . . . .
H7 H 0.659694 -0.010199 0.293664 0.041 Uiso 1 1 calc R U . . .
C8 C 0.6191(4) 0.5858(2) 0.60138(8) 0.0371(5) Uani 1 1 d . . . . .
H8A H 0.714846 0.551233 0.621852 0.045 Uiso 1 1 calc R U . . .
B8 B 0.8050(4) 0.1811(3) 0.24561(9) 0.0348(5) Uani 1 1 d . . . . .
H8 H 0.849244 0.127978 0.211953 0.042 Uiso 1 1 calc R U . . .
C9 C 0.7334(3) 0.45024(19) 0.52530(7) 0.0272(4) Uani 1 1 d . . . . .
B9 B 0.9438(4) 0.3129(3) 0.27038(8) 0.0333(5) Uani 1 1 d . . . . .
H9 H 1.078993 0.346216 0.253042 0.040 Uiso 1 1 calc R U . . .
C10 C 0.6462(3) 0.45750(18) 0.47428(7) 0.0263(4) Uani 1 1 d . . . . .
B10 B 0.9272(4) 0.1592(2) 0.30222(8) 0.0318(5) Uani 1 1 d . . . . .
H10 H 1.052039 0.092073 0.305774 0.038 Uiso 1 1 calc R U . . .
C11 C 0.4884(3) 0.54299(19) 0.47330(7) 0.0264(4) Uani 1 1 d . . . . .
C12 C 0.4647(3) 0.59995(19) 0.52247(7) 0.0272(4) Uani 1 1 d . . . . .
C13 C 0.6070(3) 0.54740(19) 0.55283(7) 0.0282(4) Uani 1 1 d . . . . .
C14 C 0.6736(3) 0.33645(19) 0.34476(7) 0.0262(4) Uani 1 1 d . . . . .
C15 C 0.5645(3) 0.3551(2) 0.29192(7) 0.0310(4) Uani 1 1 d . . . . .
H15 H 0.440148 0.422840 0.288961 0.037 Uiso 1 1 calc R U . . .
C26 C 0.9438(3) 0.4931(2) 0.52560(9) 0.0366(5) Uani 1 1 d . . . . .
H26A H 0.990405 0.495176 0.559009 0.055 Uiso 1 1 calc R U . . .
H26B H 0.955153 0.580450 0.511262 0.055 Uiso 1 1 calc R U . . .
H26C H 1.019028 0.430679 0.506730 0.055 Uiso 1 1 calc R U . . .
C27 C 0.7143(4) 0.3096(2) 0.54635(8) 0.0374(5) Uani 1 1 d . . . . .
H27A H 0.760027 0.308682 0.579835 0.056 Uiso 1 1 calc R U . . .
H27B H 0.789678 0.248772 0.526852 0.056 Uiso 1 1 calc R U . . .
H27C H 0.581092 0.282854 0.545616 0.056 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C2 C1 1.396(3) . ?
C2 C3 1.398(3) . ?
C2 C14 1.502(3) . ?
B2 C15 1.700(3) . ?
B2 B8 1.769(4) . ?
B2 B1 1.776(3) . ?
B2 B7 1.779(4) . ?
B2 B3 1.779(4) . ?
B2 H2 1.1100 . ?
C1 C10 1.374(3) . ?
C1 H1A 0.9400 . ?
B1 C15 1.718(3) . ?
B1 C14 1.734(3) . ?
B1 B7 1.765(3) . ?
B1 B6 1.772(4) . ?
B1 H1 1.1100 . ?
C3 C4 1.394(3) . ?
C3 H3A 0.9400 . ?
B3 C15 1.704(3) . ?
B3 B9 1.772(4) . ?
B3 B4 1.773(3) . ?
B3 B8 1.774(4) . ?
B3 H3 1.1100 . ?
C4 C11 1.388(3) . ?
C4 H4A 0.9400 . ?
B4 C15 1.711(3) . ?
B4 C14 1.732(3) . ?
B4 B9 1.767(4) . ?
B4 B5 1.770(3) . ?
B4 H4 1.1100 . ?
C5 C12 1.385(3) . ?
C5 C6 1.388(3) . ?
C5 H5A 0.9400 . ?
B5 C14 1.717(3) . ?
B5 B10 1.773(3) . ?
B5 B9 1.779(3) . ?
B5 B6 1.778(3) . ?
B5 H5 1.1100 . ?
C6 C7 1.389(4) . ?
C6 H6A 0.9400 . ?
B6 C14 1.712(3) . ?
B6 B7 1.770(3) . ?
B6 B10 1.777(3) . ?
B6 H6 1.1100 . ?
C7 C8 1.394(3) . ?
C7 H7A 0.9400 . ?
B7 B10 1.783(4) . ?
B7 B8 1.783(4) . ?
B7 H7 1.1100 . ?
C8 C13 1.386(3) . ?
C8 H8A 0.9400 . ?
B8 B9 1.782(4) . ?
B8 B10 1.782(3) . ?
B8 H8 1.1100 . ?
C9 C13 1.521(3) . ?
C9 C10 1.524(3) . ?
C9 C26 1.534(3) . ?
C9 C27 1.540(3) . ?
B9 B10 1.785(3) . ?
B9 H9 1.1100 . ?
C10 C11 1.402(3) . ?
B10 H10 1.1100 . ?
C11 C12 1.472(3) . ?
C12 C13 1.401(3) . ?
C14 C15 1.645(3) . ?
C15 H15 1.1100 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 H26C 0.9700 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 H27C 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 C2 C3 119.41(18) . . ?
C1 C2 C14 117.64(18) . . ?
C3 C2 C14 122.95(17) . . ?
C15 B2 B8 104.48(18) . . ?
C15 B2 B1 59.19(13) . . ?
B8 B2 B1 108.19(18) . . ?
C15 B2 B7 104.43(16) . . ?
B8 B2 B7 60.33(15) . . ?
B1 B2 B7 59.54(14) . . ?
C15 B2 B3 58.59(13) . . ?
B8 B2 B3 60.01(15) . . ?
B1 B2 B3 108.62(17) . . ?
B7 B2 B3 108.27(18) . . ?
C15 B2 H2 124.9 . . ?
B8 B2 H2 122.3 . . ?
B1 B2 H2 121.2 . . ?
B7 B2 H2 122.5 . . ?
B3 B2 H2 121.2 . . ?
C10 C1 C2 119.86(18) . . ?
C10 C1 H1A 120.1 . . ?
C2 C1 H1A 120.1 . . ?
C15 B1 C14 56.90(12) . . ?
C15 B1 B7 104.30(16) . . ?
C14 B1 B7 105.03(17) . . ?
C15 B1 B6 103.68(16) . . ?
C14 B1 B6 58.44(13) . . ?
B7 B1 B6 60.07(14) . . ?
C15 B1 B2 58.22(13) . . ?
C14 B1 B2 104.69(16) . . ?
B7 B1 B2 60.33(14) . . ?
B6 B1 B2 107.86(17) . . ?
C15 B1 H1 125.3 . . ?
C14 B1 H1 124.4 . . ?
B7 B1 H1 122.7 . . ?
B6 B1 H1 122.5 . . ?
B2 B1 H1 122.1 . . ?
C4 C3 C2 120.83(18) . . ?
C4 C3 H3A 119.6 . . ?
C2 C3 H3A 119.6 . . ?
C15 B3 B9 104.58(16) . . ?
C15 B3 B4 58.93(13) . . ?
B9 B3 B4 59.80(14) . . ?
C15 B3 B8 104.12(17) . . ?
B9 B3 B8 60.34(15) . . ?
B4 B3 B8 107.98(17) . . ?
C15 B3 B2 58.41(13) . . ?
B9 B3 B2 108.15(18) . . ?
B4 B3 B2 108.11(16) . . ?
B8 B3 B2 59.72(15) . . ?
C15 B3 H3 125.1 . . ?
B9 B3 H3 122.2 . . ?
B4 B3 H3 121.4 . . ?
B8 B3 H3 122.5 . . ?
B2 B3 H3 121.5 . . ?
C11 C4 C3 119.19(19) . . ?
C11 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
C15 B4 C14 57.06(12) . . ?
C15 B4 B9 104.46(17) . . ?
C14 B4 B9 105.50(16) . . ?
C15 B4 B5 104.08(16) . . ?
C14 B4 B5 58.70(12) . . ?
B9 B4 B5 60.38(13) . . ?
C15 B4 B3 58.51(13) . . ?
C14 B4 B3 105.14(17) . . ?
B9 B4 B3 60.07(14) . . ?
B5 B4 B3 108.12(17) . . ?
C15 B4 H4 125.1 . . ?
C14 B4 H4 124.1 . . ?
B9 B4 H4 122.6 . . ?
B5 B4 H4 122.2 . . ?
B3 B4 H4 122.0 . . ?
C12 C5 C6 118.6(2) . . ?
C12 C5 H5A 120.7 . . ?
C6 C5 H5A 120.7 . . ?
C14 B5 B4 59.56(13) . . ?
C14 B5 B10 105.42(17) . . ?
B4 B5 B10 108.24(16) . . ?
C14 B5 B9 105.67(16) . . ?
B4 B5 B9 59.74(13) . . ?
B10 B5 B9 60.36(14) . . ?
C14 B5 B6 58.63(12) . . ?
B4 B5 B6 108.26(16) . . ?
B10 B5 B6 60.07(13) . . ?
B9 B5 B6 108.28(16) . . ?
C14 B5 H5 124.0 . . ?
B4 B5 H5 121.3 . . ?
B10 B5 H5 122.1 . . ?
B9 B5 H5 122.1 . . ?
B6 B5 H5 121.5 . . ?
C5 C6 C7 120.7(2) . . ?
C5 C6 H6A 119.6 . . ?
C7 C6 H6A 119.6 . . ?
C14 B6 B7 105.76(16) . . ?
C14 B6 B1 59.69(13) . . ?
B7 B6 B1 59.77(14) . . ?
C14 B6 B10 105.43(16) . . ?
B7 B6 B10 60.33(14) . . ?
B1 B6 B10 108.29(16) . . ?
C14 B6 B5 58.89(12) . . ?
B7 B6 B5 108.17(16) . . ?
B1 B6 B5 108.56(16) . . ?
B10 B6 B5 59.81(13) . . ?
C14 B6 H6 123.9 . . ?
B7 B6 H6 122.1 . . ?
B1 B6 H6 121.1 . . ?
B10 B6 H6 122.2 . . ?
B5 B6 H6 121.5 . . ?
C6 C7 C8 120.8(2) . . ?
C6 C7 H7A 119.6 . . ?
C8 C7 H7A 119.6 . . ?
B1 B7 B6 60.16(13) . . ?
B1 B7 B2 60.13(14) . . ?
B6 B7 B2 107.77(17) . . ?
B1 B7 B10 108.35(17) . . ?
B6 B7 B10 60.03(14) . . ?
B2 B7 B10 107.60(18) . . ?
B1 B7 B8 108.04(18) . . ?
B6 B7 B8 107.84(18) . . ?
B2 B7 B8 59.54(14) . . ?
B10 B7 B8 59.98(14) . . ?
B1 B7 H7 121.4 . . ?
B6 B7 H7 121.8 . . ?
B2 B7 H7 122.1 . . ?
B10 B7 H7 121.7 . . ?
B8 B7 H7 121.9 . . ?
C13 C8 C7 118.7(2) . . ?
C13 C8 H8A 120.7 . . ?
C7 C8 H8A 120.7 . . ?
B2 B8 B3 60.27(15) . . ?
B2 B8 B9 108.13(18) . . ?
B3 B8 B9 59.77(15) . . ?
B2 B8 B10 108.09(17) . . ?
B3 B8 B10 107.93(18) . . ?
B9 B8 B10 60.11(14) . . ?
B2 B8 B7 60.13(15) . . ?
B3 B8 B7 108.31(18) . . ?
B9 B8 B7 108.23(17) . . ?
B10 B8 B7 60.01(14) . . ?
B2 B8 H8 121.6 . . ?
B3 B8 H8 121.7 . . ?
B9 B8 H8 121.7 . . ?
B10 B8 H8 121.7 . . ?
B7 B8 H8 121.5 . . ?
C13 C9 C10 100.94(16) . . ?
C13 C9 C26 111.85(17) . . ?
C10 C9 C26 112.02(17) . . ?
C13 C9 C27 111.17(17) . . ?
C10 C9 C27 110.61(17) . . ?
C26 C9 C27 110.00(18) . . ?
B4 B9 B3 60.14(14) . . ?
B4 B9 B5 59.88(13) . . ?
B3 B9 B5 107.78(17) . . ?
B4 B9 B8 107.89(17) . . ?
B3 B9 B8 59.89(15) . . ?
B5 B9 B8 107.48(17) . . ?
B4 B9 B10 107.79(16) . . ?
B3 B9 B10 107.89(18) . . ?
B5 B9 B10 59.66(13) . . ?
B8 B9 B10 59.95(14) . . ?
B4 B9 H9 121.7 . . ?
B3 B9 H9 121.7 . . ?
B5 B9 H9 122.1 . . ?
B8 B9 H9 121.9 . . ?
B10 B9 H9 121.9 . . ?
C1 C10 C11 120.80(18) . . ?
C1 C10 C9 127.99(18) . . ?
C11 C10 C9 111.21(17) . . ?
B5 B10 B6 60.12(13) . . ?
B5 B10 B7 107.87(17) . . ?
B6 B10 B7 59.64(14) . . ?
B5 B10 B8 107.73(17) . . ?
B6 B10 B8 107.56(18) . . ?
B7 B10 B8 60.01(14) . . ?
B5 B10 B9 59.98(13) . . ?
B6 B10 B9 108.02(17) . . ?
B7 B10 B9 108.10(18) . . ?
B8 B10 B9 59.94(14) . . ?
B5 B10 H10 121.8 . . ?
B6 B10 H10 121.9 . . ?
B7 B10 H10 121.8 . . ?
B8 B10 H10 122.0 . . ?
B9 B10 H10 121.6 . . ?
C4 C11 C10 119.92(18) . . ?
C4 C11 C12 131.86(19) . . ?
C10 C11 C12 108.22(17) . . ?
C5 C12 C13 120.86(19) . . ?
C5 C12 C11 130.90(19) . . ?
C13 C12 C11 108.23(18) . . ?
C8 C13 C12 120.3(2) . . ?
C8 C13 C9 128.3(2) . . ?
C12 C13 C9 111.37(17) . . ?
C2 C14 C15 120.07(16) . . ?
C2 C14 B6 120.73(16) . . ?
C15 C14 B6 109.65(15) . . ?
C2 C14 B5 121.02(16) . . ?
C15 C14 B5 109.45(15) . . ?
B6 C14 B5 62.48(13) . . ?
C2 C14 B4 117.97(17) . . ?
C15 C14 B4 60.83(13) . . ?
B6 C14 B4 113.17(16) . . ?
B5 C14 B4 61.73(13) . . ?
C2 C14 B1 117.50(16) . . ?
C15 C14 B1 61.04(13) . . ?
B6 C14 B1 61.87(14) . . ?
B5 C14 B1 113.26(16) . . ?
B4 C14 B1 113.36(15) . . ?
C14 C15 B2 112.35(16) . . ?
C14 C15 B3 112.47(17) . . ?
B2 C15 B3 63.00(14) . . ?
C14 C15 B4 62.11(12) . . ?
B2 C15 B4 114.88(17) . . ?
B3 C15 B4 62.56(14) . . ?
C14 C15 B1 62.05(12) . . ?
B2 C15 B1 62.59(14) . . ?
B3 C15 B1 115.06(17) . . ?
B4 C15 B1 115.29(16) . . ?
C14 C15 H15 119.9 . . ?
B2 C15 H15 118.2 . . ?
B3 C15 H15 118.1 . . ?
B4 C15 H15 117.3 . . ?
B1 C15 H15 117.2 . . ?
C9 C26 H26A 109.5 . . ?
C9 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C9 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C9 C27 H27A 109.5 . . ?
C9 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C9 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C2 C1 C10 -0.6(3) . . . . ?
C14 C2 C1 C10 -179.91(18) . . . . ?
B8 B2 B1 C15 96.34(19) . . . . ?
B7 B2 B1 C15 133.42(19) . . . . ?
B3 B2 B1 C15 32.73(17) . . . . ?
C15 B2 B1 C14 -34.26(15) . . . . ?
B8 B2 B1 C14 62.1(2) . . . . ?
B7 B2 B1 C14 99.16(18) . . . . ?
B3 B2 B1 C14 -1.5(2) . . . . ?
C15 B2 B1 B7 -133.42(19) . . . . ?
B8 B2 B1 B7 -37.08(18) . . . . ?
B3 B2 B1 B7 -100.69(19) . . . . ?
C15 B2 B1 B6 -95.31(18) . . . . ?
B8 B2 B1 B6 1.0(2) . . . . ?
B7 B2 B1 B6 38.10(17) . . . . ?
B3 B2 B1 B6 -62.6(2) . . . . ?
C1 C2 C3 C4 0.6(3) . . . . ?
C14 C2 C3 C4 179.87(19) . . . . ?
B8 B2 B3 C15 -133.68(18) . . . . ?
B1 B2 B3 C15 -32.96(16) . . . . ?
B7 B2 B3 C15 -96.08(18) . . . . ?
C15 B2 B3 B9 96.28(18) . . . . ?
B8 B2 B3 B9 -37.40(16) . . . . ?
B1 B2 B3 B9 63.3(2) . . . . ?
B7 B2 B3 B9 0.2(2) . . . . ?
C15 B2 B3 B4 33.01(16) . . . . ?
B8 B2 B3 B4 -100.67(19) . . . . ?
B1 B2 B3 B4 0.0(2) . . . . ?
B7 B2 B3 B4 -63.1(2) . . . . ?
C15 B2 B3 B8 133.68(18) . . . . ?
B1 B2 B3 B8 100.7(2) . . . . ?
B7 B2 B3 B8 37.60(17) . . . . ?
C2 C3 C4 C11 -0.2(3) . . . . ?
B9 B3 B4 C15 -133.69(17) . . . . ?
B8 B3 B4 C15 -95.96(19) . . . . ?
B2 B3 B4 C15 -32.80(16) . . . . ?
C15 B3 B4 C14 34.26(15) . . . . ?
B9 B3 B4 C14 -99.42(17) . . . . ?
B8 B3 B4 C14 -61.7(2) . . . . ?
B2 B3 B4 C14 1.5(2) . . . . ?
C15 B3 B4 B9 133.69(17) . . . . ?
B8 B3 B4 B9 37.73(17) . . . . ?
B2 B3 B4 B9 100.88(19) . . . . ?
C15 B3 B4 B5 95.73(17) . . . . ?
B9 B3 B4 B5 -37.96(16) . . . . ?
B8 B3 B4 B5 -0.2(2) . . . . ?
B2 B3 B4 B5 62.9(2) . . . . ?
C15 B4 B5 C14 -36.04(13) . . . . ?
B9 B4 B5 C14 -134.87(17) . . . . ?
B3 B4 B5 C14 -97.05(18) . . . . ?
C15 B4 B5 B10 61.5(2) . . . . ?
C14 B4 B5 B10 97.54(18) . . . . ?
B9 B4 B5 B10 -37.33(17) . . . . ?
B3 B4 B5 B10 0.5(2) . . . . ?
C15 B4 B5 B9 98.83(18) . . . . ?
C14 B4 B5 B9 134.87(17) . . . . ?
B3 B4 B5 B9 37.82(17) . . . . ?
C15 B4 B5 B6 -2.1(2) . . . . ?
C14 B4 B5 B6 33.93(15) . . . . ?
B9 B4 B5 B6 -100.94(18) . . . . ?
B3 B4 B5 B6 -63.1(2) . . . . ?
C12 C5 C6 C7 -0.1(4) . . . . ?
C15 B1 B6 C14 36.00(14) . . . . ?
B7 B1 B6 C14 134.81(17) . . . . ?
B2 B1 B6 C14 96.59(18) . . . . ?
C15 B1 B6 B7 -98.81(17) . . . . ?
C14 B1 B6 B7 -134.81(17) . . . . ?
B2 B1 B6 B7 -38.22(17) . . . . ?
C15 B1 B6 B10 -61.55(19) . . . . ?
C14 B1 B6 B10 -97.55(17) . . . . ?
B7 B1 B6 B10 37.26(16) . . . . ?
B2 B1 B6 B10 -1.0(2) . . . . ?
C15 B1 B6 B5 1.9(2) . . . . ?
C14 B1 B6 B5 -34.14(14) . . . . ?
B7 B1 B6 B5 100.67(18) . . . . ?
B2 B1 B6 B5 62.4(2) . . . . ?
B4 B5 B6 C14 -34.31(15) . . . . ?
B10 B5 B6 C14 -135.27(17) . . . . ?
B9 B5 B6 C14 -97.58(18) . . . . ?
C14 B5 B6 B7 97.80(18) . . . . ?
B4 B5 B6 B7 63.5(2) . . . . ?
B10 B5 B6 B7 -37.47(17) . . . . ?
B9 B5 B6 B7 0.2(2) . . . . ?
C14 B5 B6 B1 34.46(14) . . . . ?
B4 B5 B6 B1 0.2(2) . . . . ?
B10 B5 B6 B1 -100.81(18) . . . . ?
B9 B5 B6 B1 -63.1(2) . . . . ?
C14 B5 B6 B10 135.27(17) . . . . ?
B4 B5 B6 B10 100.97(18) . . . . ?
B9 B5 B6 B10 37.70(17) . . . . ?
C5 C6 C7 C8 0.9(4) . . . . ?
C15 B1 B7 B6 97.75(17) . . . . ?
C14 B1 B7 B6 38.75(15) . . . . ?
B2 B1 B7 B6 137.34(18) . . . . ?
C15 B1 B7 B2 -39.59(16) . . . . ?
C14 B1 B7 B2 -98.59(17) . . . . ?
B6 B1 B7 B2 -137.34(18) . . . . ?
C15 B1 B7 B10 60.6(2) . . . . ?
C14 B1 B7 B10 1.6(2) . . . . ?
B6 B1 B7 B10 -37.15(16) . . . . ?
B2 B1 B7 B10 100.19(19) . . . . ?
C15 B1 B7 B8 -2.9(2) . . . . ?
C14 B1 B7 B8 -61.9(2) . . . . ?
B6 B1 B7 B8 -100.64(19) . . . . ?
B2 B1 B7 B8 36.70(17) . . . . ?
C14 B6 B7 B1 -39.52(15) . . . . ?
B10 B6 B7 B1 -138.58(17) . . . . ?
B5 B6 B7 B1 -101.33(18) . . . . ?
C14 B6 B7 B2 -1.4(2) . . . . ?
B1 B6 B7 B2 38.11(17) . . . . ?
B10 B6 B7 B2 -100.47(19) . . . . ?
B5 B6 B7 B2 -63.2(2) . . . . ?
C14 B6 B7 B10 99.06(17) . . . . ?
B1 B6 B7 B10 138.58(17) . . . . ?
B5 B6 B7 B10 37.24(16) . . . . ?
C14 B6 B7 B8 61.5(2) . . . . ?
B1 B6 B7 B8 100.98(19) . . . . ?
B10 B6 B7 B8 -37.60(17) . . . . ?
B5 B6 B7 B8 -0.4(2) . . . . ?
C15 B2 B7 B1 40.10(16) . . . . ?
B8 B2 B7 B1 138.76(18) . . . . ?
B3 B2 B7 B1 101.30(18) . . . . ?
C15 B2 B7 B6 2.0(2) . . . . ?
B8 B2 B7 B6 100.64(19) . . . . ?
B1 B2 B7 B6 -38.12(17) . . . . ?
B3 B2 B7 B6 63.2(2) . . . . ?
C15 B2 B7 B10 -61.4(2) . . . . ?
B8 B2 B7 B10 37.30(16) . . . . ?
B1 B2 B7 B10 -101.46(18) . . . . ?
B3 B2 B7 B10 -0.2(2) . . . . ?
C15 B2 B7 B8 -98.66(19) . . . . ?
B1 B2 B7 B8 -138.76(18) . . . . ?
B3 B2 B7 B8 -37.46(17) . . . . ?
C6 C7 C8 C13 -1.0(4) . . . . ?
C15 B2 B8 B3 -39.61(16) . . . . ?
B1 B2 B8 B3 -101.45(19) . . . . ?
B7 B2 B8 B3 -138.18(18) . . . . ?
C15 B2 B8 B9 -2.5(2) . . . . ?
B1 B2 B8 B9 -64.3(2) . . . . ?
B7 B2 B8 B9 -101.03(18) . . . . ?
B3 B2 B8 B9 37.15(16) . . . . ?
C15 B2 B8 B10 61.1(2) . . . . ?
B1 B2 B8 B10 -0.7(2) . . . . ?
B7 B2 B8 B10 -37.44(16) . . . . ?
B3 B2 B8 B10 100.75(19) . . . . ?
C15 B2 B8 B7 98.57(18) . . . . ?
B1 B2 B8 B7 36.73(17) . . . . ?
B3 B2 B8 B7 138.18(18) . . . . ?
C15 B3 B8 B2 39.44(16) . . . . ?
B9 B3 B8 B2 138.38(17) . . . . ?
B4 B3 B8 B2 100.89(18) . . . . ?
C15 B3 B8 B9 -98.94(18) . . . . ?
B4 B3 B8 B9 -37.49(16) . . . . ?
B2 B3 B8 B9 -138.38(17) . . . . ?
C15 B3 B8 B10 -61.6(2) . . . . ?
B9 B3 B8 B10 37.38(16) . . . . ?
B4 B3 B8 B10 -0.1(2) . . . . ?
B2 B3 B8 B10 -101.01(19) . . . . ?
C15 B3 B8 B7 1.9(2) . . . . ?
B9 B3 B8 B7 100.86(19) . . . . ?
B4 B3 B8 B7 63.4(2) . . . . ?
B2 B3 B8 B7 -37.52(17) . . . . ?
B1 B7 B8 B2 -36.95(17) . . . . ?
B6 B7 B8 B2 -100.53(19) . . . . ?
B10 B7 B8 B2 -138.15(17) . . . . ?
B1 B7 B8 B3 0.6(2) . . . . ?
B6 B7 B8 B3 -63.0(2) . . . . ?
B2 B7 B8 B3 37.58(17) . . . . ?
B10 B7 B8 B3 -100.57(19) . . . . ?
B1 B7 B8 B9 63.9(2) . . . . ?
B6 B7 B8 B9 0.4(2) . . . . ?
B2 B7 B8 B9 100.88(19) . . . . ?
B10 B7 B8 B9 -37.27(16) . . . . ?
B1 B7 B8 B10 101.20(18) . . . . ?
B6 B7 B8 B10 37.62(17) . . . . ?
B2 B7 B8 B10 138.15(17) . . . . ?
C15 B4 B9 B3 39.55(15) . . . . ?
C14 B4 B9 B3 98.81(18) . . . . ?
B5 B4 B9 B3 137.74(18) . . . . ?
C15 B4 B9 B5 -98.19(17) . . . . ?
C14 B4 B9 B5 -38.94(15) . . . . ?
B3 B4 B9 B5 -137.74(18) . . . . ?
C15 B4 B9 B8 2.0(2) . . . . ?
C14 B4 B9 B8 61.3(2) . . . . ?
B5 B4 B9 B8 100.24(18) . . . . ?
B3 B4 B9 B8 -37.51(17) . . . . ?
C15 B4 B9 B10 -61.3(2) . . . . ?
C14 B4 B9 B10 -2.0(2) . . . . ?
B5 B4 B9 B10 36.92(17) . . . . ?
B3 B4 B9 B10 -100.82(19) . . . . ?
C15 B3 B9 B4 -39.79(16) . . . . ?
B8 B3 B9 B4 -137.95(18) . . . . ?
B2 B3 B9 B4 -100.82(18) . . . . ?
C15 B3 B9 B5 -2.1(2) . . . . ?
B4 B3 B9 B5 37.65(17) . . . . ?
B8 B3 B9 B5 -100.30(19) . . . . ?
B2 B3 B9 B5 -63.2(2) . . . . ?
C15 B3 B9 B8 98.16(18) . . . . ?
B4 B3 B9 B8 137.95(18) . . . . ?
B2 B3 B9 B8 37.13(16) . . . . ?
C15 B3 B9 B10 60.9(2) . . . . ?
B4 B3 B9 B10 100.66(18) . . . . ?
B8 B3 B9 B10 -37.29(16) . . . . ?
B2 B3 B9 B10 -0.2(2) . . . . ?
C14 B5 B9 B4 39.39(16) . . . . ?
B10 B5 B9 B4 138.49(18) . . . . ?
B6 B5 B9 B4 100.92(18) . . . . ?
C14 B5 B9 B3 1.6(2) . . . . ?
B4 B5 B9 B3 -37.76(17) . . . . ?
B10 B5 B9 B3 100.7(2) . . . . ?
B6 B5 B9 B3 63.2(2) . . . . ?
C14 B5 B9 B8 -61.5(2) . . . . ?
B4 B5 B9 B8 -100.93(18) . . . . ?
B10 B5 B9 B8 37.56(17) . . . . ?
B6 B5 B9 B8 0.0(2) . . . . ?
C14 B5 B9 B10 -99.10(18) . . . . ?
B4 B5 B9 B10 -138.49(18) . . . . ?
B6 B5 B9 B10 -37.57(17) . . . . ?
B2 B8 B9 B4 0.3(2) . . . . ?
B3 B8 B9 B4 37.62(16) . . . . ?
B10 B8 B9 B4 -100.61(18) . . . . ?
B7 B8 B9 B4 -63.4(2) . . . . ?
B2 B8 B9 B3 -37.36(16) . . . . ?
B10 B8 B9 B3 -138.23(18) . . . . ?
B7 B8 B9 B3 -101.01(19) . . . . ?
B2 B8 B9 B5 63.4(2) . . . . ?
B3 B8 B9 B5 100.80(19) . . . . ?
B10 B8 B9 B5 -37.43(16) . . . . ?
B7 B8 B9 B5 -0.2(2) . . . . ?
B2 B8 B9 B10 100.87(19) . . . . ?
B3 B8 B9 B10 138.23(18) . . . . ?
B7 B8 B9 B10 37.22(17) . . . . ?
C2 C1 C10 C11 0.3(3) . . . . ?
C2 C1 C10 C9 179.68(19) . . . . ?
C13 C9 C10 C1 178.7(2) . . . . ?
C26 C9 C10 C1 59.5(3) . . . . ?
C27 C9 C10 C1 -63.6(3) . . . . ?
C13 C9 C10 C11 -1.9(2) . . . . ?
C26 C9 C10 C11 -121.01(19) . . . . ?
C27 C9 C10 C11 115.89(19) . . . . ?
C14 B5 B10 B6 -38.56(15) . . . . ?
B4 B5 B10 B6 -101.01(18) . . . . ?
B9 B5 B10 B6 -138.08(18) . . . . ?
C14 B5 B10 B7 -1.5(2) . . . . ?
B4 B5 B10 B7 -63.9(2) . . . . ?
B9 B5 B10 B7 -100.99(18) . . . . ?
B6 B5 B10 B7 37.09(16) . . . . ?
C14 B5 B10 B8 61.9(2) . . . . ?
B4 B5 B10 B8 -0.6(2) . . . . ?
B9 B5 B10 B8 -37.62(16) . . . . ?
B6 B5 B10 B8 100.46(19) . . . . ?
C14 B5 B10 B9 99.52(17) . . . . ?
B4 B5 B10 B9 37.07(16) . . . . ?
B6 B5 B10 B9 138.08(18) . . . . ?
C14 B6 B10 B5 38.69(15) . . . . ?
B7 B6 B10 B5 138.30(18) . . . . ?
B1 B6 B10 B5 101.28(18) . . . . ?
C14 B6 B10 B7 -99.62(17) . . . . ?
B1 B6 B10 B7 -37.02(16) . . . . ?
B5 B6 B10 B7 -138.30(18) . . . . ?
C14 B6 B10 B8 -62.1(2) . . . . ?
B7 B6 B10 B8 37.55(17) . . . . ?
B1 B6 B10 B8 0.5(2) . . . . ?
B5 B6 B10 B8 -100.76(18) . . . . ?
C14 B6 B10 B9 1.2(2) . . . . ?
B7 B6 B10 B9 100.83(19) . . . . ?
B1 B6 B10 B9 63.8(2) . . . . ?
B5 B6 B10 B9 -37.47(16) . . . . ?
B1 B7 B10 B5 -0.1(2) . . . . ?
B6 B7 B10 B5 -37.30(16) . . . . ?
B2 B7 B10 B5 63.5(2) . . . . ?
B8 B7 B10 B5 100.57(18) . . . . ?
B1 B7 B10 B6 37.20(16) . . . . ?
B2 B7 B10 B6 100.76(18) . . . . ?
B8 B7 B10 B6 137.87(18) . . . . ?
B1 B7 B10 B8 -100.7(2) . . . . ?
B6 B7 B10 B8 -137.87(18) . . . . ?
B2 B7 B10 B8 -37.11(16) . . . . ?
B1 B7 B10 B9 -63.5(2) . . . . ?
B6 B7 B10 B9 -100.71(18) . . . . ?
B2 B7 B10 B9 0.1(2) . . . . ?
B8 B7 B10 B9 37.16(16) . . . . ?
B2 B8 B10 B5 -63.3(2) . . . . ?
B3 B8 B10 B5 0.4(2) . . . . ?
B9 B8 B10 B5 37.64(16) . . . . ?
B7 B8 B10 B5 -100.80(19) . . . . ?
B2 B8 B10 B6 0.1(2) . . . . ?
B3 B8 B10 B6 63.8(2) . . . . ?
B9 B8 B10 B6 101.06(18) . . . . ?
B7 B8 B10 B6 -37.38(16) . . . . ?
B2 B8 B10 B7 37.49(17) . . . . ?
B3 B8 B10 B7 101.21(19) . . . . ?
B9 B8 B10 B7 138.44(18) . . . . ?
B2 B8 B10 B9 -101.0(2) . . . . ?
B3 B8 B10 B9 -37.23(17) . . . . ?
B7 B8 B10 B9 -138.44(18) . . . . ?
B4 B9 B10 B5 -37.02(17) . . . . ?
B3 B9 B10 B5 -100.53(19) . . . . ?
B8 B9 B10 B5 -137.80(18) . . . . ?
B4 B9 B10 B6 0.5(2) . . . . ?
B3 B9 B10 B6 -63.0(2) . . . . ?
B5 B9 B10 B6 37.53(16) . . . . ?
B8 B9 B10 B6 -100.27(19) . . . . ?
B4 B9 B10 B7 63.6(2) . . . . ?
B3 B9 B10 B7 0.1(2) . . . . ?
B5 B9 B10 B7 100.60(18) . . . . ?
B8 B9 B10 B7 -37.19(16) . . . . ?
B4 B9 B10 B8 100.78(18) . . . . ?
B3 B9 B10 B8 37.26(16) . . . . ?
B5 B9 B10 B8 137.80(18) . . . . ?
C3 C4 C11 C10 -0.1(3) . . . . ?
C3 C4 C11 C12 178.6(2) . . . . ?
C1 C10 C11 C4 0.1(3) . . . . ?
C9 C10 C11 C4 -179.40(18) . . . . ?
C1 C10 C11 C12 -178.87(18) . . . . ?
C9 C10 C11 C12 1.6(2) . . . . ?
C6 C5 C12 C13 -0.5(3) . . . . ?
C6 C5 C12 C11 -179.1(2) . . . . ?
C4 C11 C12 C5 -0.7(4) . . . . ?
C10 C11 C12 C5 178.1(2) . . . . ?
C4 C11 C12 C13 -179.4(2) . . . . ?
C10 C11 C12 C13 -0.6(2) . . . . ?
C7 C8 C13 C12 0.4(3) . . . . ?
C7 C8 C13 C9 -179.7(2) . . . . ?
C5 C12 C13 C8 0.4(3) . . . . ?
C11 C12 C13 C8 179.25(19) . . . . ?
C5 C12 C13 C9 -179.50(18) . . . . ?
C11 C12 C13 C9 -0.6(2) . . . . ?
C10 C9 C13 C8 -178.4(2) . . . . ?
C26 C9 C13 C8 -59.1(3) . . . . ?
C27 C9 C13 C8 64.3(3) . . . . ?
C10 C9 C13 C12 1.5(2) . . . . ?
C26 C9 C13 C12 120.75(19) . . . . ?
C27 C9 C13 C12 -115.86(19) . . . . ?
C1 C2 C14 C15 -179.51(17) . . . . ?
C3 C2 C14 C15 1.2(3) . . . . ?
C1 C2 C14 B6 37.7(3) . . . . ?
C3 C2 C14 B6 -141.6(2) . . . . ?
C1 C2 C14 B5 -36.6(3) . . . . ?
C3 C2 C14 B5 144.1(2) . . . . ?
C1 C2 C14 B4 -108.8(2) . . . . ?
C3 C2 C14 B4 71.9(3) . . . . ?
C1 C2 C14 B1 109.7(2) . . . . ?
C3 C2 C14 B1 -69.6(2) . . . . ?
B7 B6 C14 C2 146.49(18) . . . . ?
B1 B6 C14 C2 106.9(2) . . . . ?
B10 B6 C14 C2 -150.61(18) . . . . ?
B5 B6 C14 C2 -111.5(2) . . . . ?
B7 B6 C14 C15 0.3(2) . . . . ?
B1 B6 C14 C15 -39.30(16) . . . . ?
B10 B6 C14 C15 63.2(2) . . . . ?
B5 B6 C14 C15 102.28(17) . . . . ?
B7 B6 C14 B5 -102.02(17) . . . . ?
B1 B6 C14 B5 -141.58(16) . . . . ?
B10 B6 C14 B5 -39.13(16) . . . . ?
B7 B6 C14 B4 -65.5(2) . . . . ?
B1 B6 C14 B4 -105.09(17) . . . . ?
B10 B6 C14 B4 -2.6(2) . . . . ?
B5 B6 C14 B4 36.49(16) . . . . ?
B7 B6 C14 B1 39.56(15) . . . . ?
B10 B6 C14 B1 102.45(17) . . . . ?
B5 B6 C14 B1 141.58(16) . . . . ?
B4 B5 C14 C2 -107.3(2) . . . . ?
B10 B5 C14 C2 150.28(17) . . . . ?
B9 B5 C14 C2 -146.81(18) . . . . ?
B6 B5 C14 C2 111.04(19) . . . . ?
B4 B5 C14 C15 39.03(15) . . . . ?
B10 B5 C14 C15 -63.36(19) . . . . ?
B9 B5 C14 C15 -0.5(2) . . . . ?
B6 B5 C14 C15 -102.60(16) . . . . ?
B4 B5 C14 B6 141.63(16) . . . . ?
B10 B5 C14 B6 39.24(15) . . . . ?
B9 B5 C14 B6 102.15(17) . . . . ?
B10 B5 C14 B4 -102.38(17) . . . . ?
B9 B5 C14 B4 -39.48(16) . . . . ?
B6 B5 C14 B4 -141.63(16) . . . . ?
B4 B5 C14 B1 105.01(17) . . . . ?
B10 B5 C14 B1 2.6(2) . . . . ?
B9 B5 C14 B1 65.5(2) . . . . ?
B6 B5 C14 B1 -36.62(15) . . . . ?
C15 B4 C14 C2 -110.69(19) . . . . ?
B9 B4 C14 C2 151.89(17) . . . . ?
B5 B4 C14 C2 112.15(19) . . . . ?
B3 B4 C14 C2 -145.59(18) . . . . ?
B9 B4 C14 C15 -97.42(17) . . . . ?
B5 B4 C14 C15 -137.16(16) . . . . ?
B3 B4 C14 C15 -34.89(15) . . . . ?
C15 B4 C14 B6 100.37(17) . . . . ?
B9 B4 C14 B6 3.0(2) . . . . ?
B5 B4 C14 B6 -36.79(16) . . . . ?
B3 B4 C14 B6 65.5(2) . . . . ?
C15 B4 C14 B5 137.16(16) . . . . ?
B9 B4 C14 B5 39.74(16) . . . . ?
B3 B4 C14 B5 102.27(18) . . . . ?
C15 B4 C14 B1 32.32(16) . . . . ?
B9 B4 C14 B1 -65.1(2) . . . . ?
B5 B4 C14 B1 -104.84(18) . . . . ?
B3 B4 C14 B1 -2.6(2) . . . . ?
C15 B1 C14 C2 110.95(19) . . . . ?
B7 B1 C14 C2 -151.56(17) . . . . ?
B6 B1 C14 C2 -112.02(19) . . . . ?
B2 B1 C14 C2 145.79(18) . . . . ?
B7 B1 C14 C15 97.49(17) . . . . ?
B6 B1 C14 C15 137.02(17) . . . . ?
B2 B1 C14 C15 34.83(16) . . . . ?
C15 B1 C14 B6 -137.02(17) . . . . ?
B7 B1 C14 B6 -39.54(16) . . . . ?
B2 B1 C14 B6 -102.19(19) . . . . ?
C15 B1 C14 B5 -100.17(17) . . . . ?
B7 B1 C14 B5 -2.7(2) . . . . ?
B6 B1 C14 B5 36.86(15) . . . . ?
B2 B1 C14 B5 -65.3(2) . . . . ?
C15 B1 C14 B4 -32.24(16) . . . . ?
B7 B1 C14 B4 65.2(2) . . . . ?
B6 B1 C14 B4 104.78(18) . . . . ?
B2 B1 C14 B4 2.6(2) . . . . ?
C2 C14 C15 B2 -145.41(18) . . . . ?
B6 C14 C15 B2 1.1(2) . . . . ?
B5 C14 C15 B2 67.9(2) . . . . ?
B4 C14 C15 B2 107.28(19) . . . . ?
B1 C14 C15 B2 -38.60(17) . . . . ?
C2 C14 C15 B3 145.76(18) . . . . ?
B6 C14 C15 B3 -67.8(2) . . . . ?
B5 C14 C15 B3 -1.0(2) . . . . ?
B4 C14 C15 B3 38.46(17) . . . . ?
B1 C14 C15 B3 -107.42(19) . . . . ?
C2 C14 C15 B4 107.3(2) . . . . ?
B6 C14 C15 B4 -106.21(17) . . . . ?
B5 C14 C15 B4 -39.43(16) . . . . ?
B1 C14 C15 B4 -145.88(17) . . . . ?
C2 C14 C15 B1 -106.8(2) . . . . ?
B6 C14 C15 B1 39.67(16) . . . . ?
B5 C14 C15 B1 106.45(18) . . . . ?
B4 C14 C15 B1 145.88(17) . . . . ?
B8 B2 C15 C14 -64.4(2) . . . . ?
B1 B2 C15 C14 38.37(17) . . . . ?
B7 B2 C15 C14 -1.9(2) . . . . ?
B3 B2 C15 C14 -104.74(19) . . . . ?
B8 B2 C15 B3 40.32(16) . . . . ?
B1 B2 C15 B3 143.11(18) . . . . ?
B7 B2 C15 B3 102.83(19) . . . . ?
B8 B2 C15 B4 4.1(2) . . . . ?
B1 B2 C15 B4 106.85(18) . . . . ?
B7 B2 C15 B4 66.6(2) . . . . ?
B3 B2 C15 B4 -36.26(17) . . . . ?
B8 B2 C15 B1 -102.79(19) . . . . ?
B7 B2 C15 B1 -40.28(17) . . . . ?
B3 B2 C15 B1 -143.11(18) . . . . ?
B9 B3 C15 C14 1.9(2) . . . . ?
B4 B3 C15 C14 -38.27(16) . . . . ?
B8 B3 C15 C14 64.4(2) . . . . ?
B2 B3 C15 C14 104.54(18) . . . . ?
B9 B3 C15 B2 -102.59(19) . . . . ?
B4 B3 C15 B2 -142.81(18) . . . . ?
B8 B3 C15 B2 -40.09(17) . . . . ?
B9 B3 C15 B4 40.22(16) . . . . ?
B8 B3 C15 B4 102.71(19) . . . . ?
B2 B3 C15 B4 142.81(18) . . . . ?
B9 B3 C15 B1 -66.6(2) . . . . ?
B4 B3 C15 B1 -106.78(19) . . . . ?
B8 B3 C15 B1 -4.1(2) . . . . ?
B2 B3 C15 B1 36.03(18) . . . . ?
B9 B4 C15 C14 99.31(17) . . . . ?
B5 B4 C15 C14 36.80(14) . . . . ?
B3 B4 C15 C14 139.64(17) . . . . ?
C14 B4 C15 B2 -103.22(18) . . . . ?
B9 B4 C15 B2 -3.9(2) . . . . ?
B5 B4 C15 B2 -66.4(2) . . . . ?
B3 B4 C15 B2 36.42(17) . . . . ?
C14 B4 C15 B3 -139.64(17) . . . . ?
B9 B4 C15 B3 -40.33(16) . . . . ?
B5 B4 C15 B3 -102.84(18) . . . . ?
C14 B4 C15 B1 -33.23(16) . . . . ?
B9 B4 C15 B1 66.1(2) . . . . ?
B5 B4 C15 B1 3.6(2) . . . . ?
B3 B4 C15 B1 106.41(19) . . . . ?
B7 B1 C15 C14 -98.82(17) . . . . ?
B6 B1 C15 C14 -36.72(14) . . . . ?
B2 B1 C15 C14 -139.46(18) . . . . ?
C14 B1 C15 B2 139.46(18) . . . . ?
B7 B1 C15 B2 40.64(17) . . . . ?
B6 B1 C15 B2 102.75(18) . . . . ?
C14 B1 C15 B3 103.28(19) . . . . ?
B7 B1 C15 B3 4.5(2) . . . . ?
B6 B1 C15 B3 66.6(2) . . . . ?
B2 B1 C15 B3 -36.19(18) . . . . ?
C14 B1 C15 B4 33.25(16) . . . . ?
B7 B1 C15 B4 -65.6(2) . . . . ?
B6 B1 C15 B4 -3.5(2) . . . . ?
B2 B1 C15 B4 -106.21(19) . . . . ?

_refine_diff_density_max         0.165
_refine_diff_density_min         -0.232
_refine_diff_density_rms         0.039



####################################################################### 
# 
# 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_5CB
_audit_block_doi                 10.5517/ccdc.csd.cc2l61wr
_database_code_depnum_ccdc_archive 'CCDC 2389104'
loop_
_audit_author_name
_audit_author_address
'Kang Mun Lee'
;Kangwon National University
South Korea
;
_audit_update_record             
;
2024-10-07 deposited with the CCDC.	2024-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H38 B10 Si'
_chemical_formula_sum            'C23 H38 B10 Si'
_chemical_formula_weight         450.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   11.2901(6)
_cell_length_b                   9.1352(4)
_cell_length_c                   25.9770(12)
_cell_angle_alpha                90
_cell_angle_beta                 93.4738(18)
_cell_angle_gamma                90
_cell_volume                     2674.3(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    203(2)
_cell_measurement_reflns_used    9867
_cell_measurement_theta_min      2.73
_cell_measurement_theta_max      27.05

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.119
_exptl_crystal_F_000             960
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.237
_exptl_crystal_size_mid          0.192
_exptl_crystal_size_min          0.042
_exptl_absorpt_coefficient_mu    0.099
_shelx_estimated_absorpt_T_min   0.977
_shelx_estimated_absorpt_T_max   0.996
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.5790
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      203(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Ius 3.0 microfocus source'
_diffrn_measurement_device_type  'PHOTON II CPAD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29952
_diffrn_reflns_av_unetI/netI     0.0636
_diffrn_reflns_av_R_equivalents  0.0911
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.465
_diffrn_reflns_theta_max         27.058
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5825
_reflns_number_gt                4090
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX5 software'
_computing_cell_refinement       'Bruker APEX5 software'
_computing_data_reduction        'Bruker APEX5 software'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0346P)²+1.9938P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5825
_refine_ls_number_parameters     314
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0605
_refine_ls_wR_factor_ref         0.1373
_refine_ls_wR_factor_gt          0.1184
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C2 C 0.52981(18) 0.7942(2) 0.59267(8) 0.0272(5) Uani 1 1 d . . . . .
B2 B 0.5783(2) 1.0919(3) 0.59249(10) 0.0315(6) Uani 1 1 d . . . . .
H2 H 0.490000 1.125616 0.574348 0.038 Uiso 1 1 calc R U . . .
C1 C 0.41031(18) 0.8196(2) 0.60054(8) 0.0278(5) Uani 1 1 d . . . . .
H1A H 0.385755 0.911201 0.613533 0.033 Uiso 1 1 calc R U . . .
B1 B 0.6863(2) 1.0019(3) 0.55672(10) 0.0314(6) Uani 1 1 d . . . . .
H1 H 0.669776 0.975588 0.514790 0.038 Uiso 1 1 calc R U . . .
C3 C 0.56436(19) 0.6594(3) 0.57292(8) 0.0301(5) Uani 1 1 d . . . . .
H3A H 0.645415 0.643104 0.566809 0.036 Uiso 1 1 calc R U . . .
B3 B 0.7117(2) 1.1838(3) 0.57906(11) 0.0351(6) Uani 1 1 d . . . . .
H3 H 0.712400 1.279086 0.551933 0.042 Uiso 1 1 calc R U . . .
C4 C 0.48224(19) 0.5495(3) 0.56214(8) 0.0316(5) Uani 1 1 d . . . . .
H4A H 0.506835 0.457440 0.549531 0.038 Uiso 1 1 calc R U . . .
B4 B 0.8284(2) 1.0527(3) 0.58321(10) 0.0328(6) Uani 1 1 d . . . . .
H4 H 0.906392 1.060398 0.558660 0.039 Uiso 1 1 calc R U . . .
C5 C 0.2453(2) 0.3413(3) 0.54221(9) 0.0349(5) Uani 1 1 d . . . . .
H5A H 0.312366 0.287119 0.532689 0.042 Uiso 1 1 calc R U . . .
B5 B 0.7672(2) 0.8821(3) 0.59974(10) 0.0280(5) Uani 1 1 d . . . . .
H5 H 0.803234 0.775155 0.586540 0.034 Uiso 1 1 calc R U . . .
C6 C 0.1325(2) 0.2807(3) 0.53764(9) 0.0387(6) Uani 1 1 d . . . . .
H6A H 0.122150 0.184114 0.524579 0.046 Uiso 1 1 calc R U . . .
B6 B 0.5945(2) 1.0249(3) 0.65699(10) 0.0286(5) Uani 1 1 d . . . . .
H6 H 0.516838 1.011636 0.681461 0.034 Uiso 1 1 calc R U . . .
C7 C 0.0349(2) 0.3594(3) 0.55193(9) 0.0399(6) Uani 1 1 d . . . . .
H7A H -0.041671 0.316016 0.548628 0.048 Uiso 1 1 calc R U . . .
B7 B 0.6532(2) 1.1984(3) 0.64108(11) 0.0317(6) Uani 1 1 d . . . . .
H7 H 0.614282 1.302910 0.654977 0.038 Uiso 1 1 calc R U . . .
C8 C 0.0475(2) 0.5009(3) 0.57099(9) 0.0357(6) Uani 1 1 d . . . . .
H8A H -0.019738 0.554171 0.580846 0.043 Uiso 1 1 calc R U . . .
B8 B 0.8090(2) 1.1759(3) 0.63533(11) 0.0338(6) Uani 1 1 d . . . . .
H8 H 0.873926 1.265778 0.645253 0.041 Uiso 1 1 calc R U . . .
C9 C 0.19528(18) 0.7143(2) 0.59542(8) 0.0275(5) Uani 1 1 d . . . . .
B9 B 0.8434(2) 0.9890(3) 0.64809(10) 0.0297(6) Uani 1 1 d . . . . .
H9 H 0.931066 0.954236 0.666592 0.036 Uiso 1 1 calc R U . . .
C10 C 0.32824(18) 0.7108(2) 0.58933(8) 0.0261(5) Uani 1 1 d . . . . .
B10 B 0.7360(2) 1.0792(3) 0.68333(10) 0.0303(6) Uani 1 1 d . . . . .
H10 H 0.752274 1.105281 0.725298 0.036 Uiso 1 1 calc R U . . .
C11 C 0.36363(19) 0.5753(2) 0.56998(8) 0.0280(5) Uani 1 1 d . . . . .
C12 C 0.25792(19) 0.4834(3) 0.56106(8) 0.0289(5) Uani 1 1 d . . . . .
C13 C 0.15925(19) 0.5631(2) 0.57542(8) 0.0289(5) Uani 1 1 d . . . . .
C14 C 0.61821(18) 0.9142(2) 0.60482(8) 0.0260(5) Uani 1 1 d . . . . .
C15 C 0.71233(18) 0.9043(2) 0.66026(8) 0.0257(5) Uani 1 1 d . . . . .
C26 C 0.1681(2) 0.7328(3) 0.65234(9) 0.0370(6) Uani 1 1 d . . . . .
H26A H 0.082276 0.726297 0.655633 0.056 Uiso 1 1 calc R U . . .
H26B H 0.196712 0.828569 0.664740 0.056 Uiso 1 1 calc R U . . .
H26C H 0.208074 0.655390 0.672916 0.056 Uiso 1 1 calc R U . . .
C27 C 0.1350(2) 0.8365(3) 0.56314(10) 0.0409(6) Uani 1 1 d . . . . .
H27A H 0.048759 0.829300 0.565072 0.061 Uiso 1 1 calc R U . . .
H27B H 0.155291 0.826577 0.527153 0.061 Uiso 1 1 calc R U . . .
H27C H 0.162284 0.931765 0.576508 0.061 Uiso 1 1 calc R U . . .
Si28 Si 0.71074(5) 0.73345(7) 0.70518(2) 0.02932(17) Uani 1 1 d . . . . .
C29 C 0.5562(2) 0.6641(3) 0.70845(10) 0.0432(6) Uani 1 1 d . . . . .
H29A H 0.553784 0.590376 0.735765 0.065 Uiso 1 1 calc R U . . .
H29B H 0.529958 0.620014 0.675306 0.065 Uiso 1 1 calc R U . . .
H29C H 0.503412 0.745552 0.716004 0.065 Uiso 1 1 calc R U . . .
C30 C 0.8048(2) 0.5914(3) 0.67691(10) 0.0440(6) Uani 1 1 d . . . . .
H30A H 0.807296 0.504221 0.698954 0.066 Uiso 1 1 calc R U . . .
H30B H 0.885432 0.629474 0.674439 0.066 Uiso 1 1 calc R U . . .
H30C H 0.771451 0.565387 0.642415 0.066 Uiso 1 1 calc R U . . .
C31 C 0.7708(2) 0.7765(3) 0.77358(9) 0.0371(6) Uani 1 1 d . . . . .
C32 C 0.7857(3) 0.6274(3) 0.80153(11) 0.0562(8) Uani 1 1 d . . . . .
H32A H 0.806243 0.644023 0.838260 0.084 Uiso 1 1 calc R U . . .
H32B H 0.849037 0.571424 0.786484 0.084 Uiso 1 1 calc R U . . .
H32C H 0.711134 0.572461 0.797552 0.084 Uiso 1 1 calc R U . . .
C33 C 0.6805(2) 0.8663(3) 0.80234(9) 0.0474(7) Uani 1 1 d . . . . .
H33A H 0.712650 0.886291 0.837519 0.071 Uiso 1 1 calc R U . . .
H33B H 0.606399 0.810872 0.803621 0.071 Uiso 1 1 calc R U . . .
H33C H 0.664810 0.959003 0.784195 0.071 Uiso 1 1 calc R U . . .
C34 C 0.8926(2) 0.8519(3) 0.77743(10) 0.0474(7) Uani 1 1 d . . . . .
H34A H 0.920546 0.860415 0.813762 0.071 Uiso 1 1 calc R U . . .
H34B H 0.885629 0.949711 0.762051 0.071 Uiso 1 1 calc R U . . .
H34C H 0.949255 0.793689 0.758934 0.071 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C2 C1 1.396(3) . ?
C2 C3 1.398(3) . ?
C2 C14 1.503(3) . ?
B2 C14 1.710(3) . ?
B2 B7 1.767(4) . ?
B2 B3 1.776(4) . ?
B2 B1 1.779(4) . ?
B2 B6 1.783(4) . ?
B2 H2 1.1200 . ?
C1 C10 1.378(3) . ?
C1 H1A 0.9500 . ?
B1 C14 1.706(3) . ?
B1 B4 1.769(4) . ?
B1 B5 1.777(4) . ?
B1 B3 1.778(4) . ?
B1 H1 1.1200 . ?
C3 C4 1.384(3) . ?
C3 H3A 0.9500 . ?
B3 B8 1.776(4) . ?
B3 B4 1.780(4) . ?
B3 B7 1.783(4) . ?
B3 H3 1.1200 . ?
C4 C11 1.387(3) . ?
C4 H4A 0.9500 . ?
B4 B5 1.768(4) . ?
B4 B9 1.781(4) . ?
B4 B8 1.785(4) . ?
B4 H4 1.1200 . ?
C5 C6 1.387(3) . ?
C5 C12 1.391(3) . ?
C5 H5A 0.9500 . ?
B5 C14 1.720(3) . ?
B5 C15 1.736(3) . ?
B5 B9 1.772(4) . ?
B5 H5 1.1200 . ?
C6 C7 1.386(4) . ?
C6 H6A 0.9500 . ?
B6 C14 1.725(3) . ?
B6 C15 1.726(3) . ?
B6 B10 1.771(3) . ?
B6 B7 1.776(4) . ?
B6 H6 1.1200 . ?
C7 C8 1.388(3) . ?
C7 H7A 0.9500 . ?
B7 B10 1.772(4) . ?
B7 B8 1.787(4) . ?
B7 H7 1.1200 . ?
C8 C13 1.382(3) . ?
C8 H8A 0.9500 . ?
B8 B10 1.772(4) . ?
B8 B9 1.778(4) . ?
B8 H8 1.1200 . ?
C9 C10 1.519(3) . ?
C9 C13 1.523(3) . ?
C9 C27 1.531(3) . ?
C9 C26 1.537(3) . ?
B9 C15 1.716(3) . ?
B9 B10 1.767(4) . ?
B9 H9 1.1200 . ?
C10 C11 1.403(3) . ?
B10 C15 1.722(3) . ?
B10 H10 1.1200 . ?
C11 C12 1.466(3) . ?
C12 C13 1.400(3) . ?
C14 C15 1.739(3) . ?
C15 Si28 1.949(2) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
Si28 C30 1.857(3) . ?
Si28 C29 1.863(2) . ?
Si28 C31 1.904(2) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C34 1.536(3) . ?
C31 C33 1.537(3) . ?
C31 C32 1.547(4) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 C2 C3 119.6(2) . . ?
C1 C2 C14 118.91(19) . . ?
C3 C2 C14 121.51(19) . . ?
C14 B2 B7 106.23(18) . . ?
C14 B2 B3 105.60(18) . . ?
B7 B2 B3 60.41(15) . . ?
C14 B2 B1 58.52(14) . . ?
B7 B2 B1 108.33(18) . . ?
B3 B2 B1 60.01(15) . . ?
C14 B2 B6 59.14(14) . . ?
B7 B2 B6 60.03(15) . . ?
B3 B2 B6 107.90(18) . . ?
B1 B2 B6 107.33(18) . . ?
C14 B2 H2 123.9 . . ?
B7 B2 H2 121.6 . . ?
B3 B2 H2 122.1 . . ?
B1 B2 H2 121.9 . . ?
B6 B2 H2 121.8 . . ?
C10 C1 C2 119.5(2) . . ?
C10 C1 H1A 120.2 . . ?
C2 C1 H1A 120.2 . . ?
C14 B1 B4 106.06(18) . . ?
C14 B1 B5 59.16(13) . . ?
B4 B1 B5 59.82(15) . . ?
C14 B1 B3 105.71(18) . . ?
B4 B1 B3 60.25(15) . . ?
B5 B1 B3 107.71(19) . . ?
C14 B1 B2 58.74(14) . . ?
B4 B1 B2 108.05(19) . . ?
B5 B1 B2 107.38(18) . . ?
B3 B1 B2 59.94(15) . . ?
C14 B1 H1 123.7 . . ?
B4 B1 H1 121.9 . . ?
B5 B1 H1 121.9 . . ?
B3 B1 H1 122.2 . . ?
B2 B1 H1 121.9 . . ?
C4 C3 C2 121.0(2) . . ?
C4 C3 H3A 119.5 . . ?
C2 C3 H3A 119.5 . . ?
B8 B3 B2 107.97(19) . . ?
B8 B3 B1 108.06(19) . . ?
B2 B3 B1 60.06(15) . . ?
B8 B3 B4 60.24(15) . . ?
B2 B3 B4 107.66(19) . . ?
B1 B3 B4 59.63(15) . . ?
B8 B3 B7 60.27(15) . . ?
B2 B3 B7 59.53(15) . . ?
B1 B3 B7 107.66(19) . . ?
B4 B3 B7 108.00(19) . . ?
B8 B3 H3 121.4 . . ?
B2 B3 H3 122.0 . . ?
B1 B3 H3 121.9 . . ?
B4 B3 H3 121.8 . . ?
B7 B3 H3 121.9 . . ?
C3 C4 C11 119.2(2) . . ?
C3 C4 H4A 120.4 . . ?
C11 C4 H4A 120.4 . . ?
B5 B4 B1 60.31(15) . . ?
B5 B4 B3 107.99(18) . . ?
B1 B4 B3 60.12(15) . . ?
B5 B4 B9 59.89(14) . . ?
B1 B4 B9 108.30(18) . . ?
B3 B4 B9 107.73(19) . . ?
B5 B4 B8 107.70(18) . . ?
B1 B4 B8 108.07(19) . . ?
B3 B4 B8 59.78(15) . . ?
B9 B4 B8 59.82(15) . . ?
B5 B4 H4 121.7 . . ?
B1 B4 H4 121.4 . . ?
B3 B4 H4 121.9 . . ?
B9 B4 H4 121.8 . . ?
B8 B4 H4 121.9 . . ?
C6 C5 C12 118.5(2) . . ?
C6 C5 H5A 120.8 . . ?
C12 C5 H5A 120.8 . . ?
C14 B5 C15 60.42(13) . . ?
C14 B5 B4 105.49(18) . . ?
C15 B5 B4 106.46(18) . . ?
C14 B5 B9 106.65(17) . . ?
C15 B5 B9 58.55(13) . . ?
B4 B5 B9 60.42(15) . . ?
C14 B5 B1 58.38(13) . . ?
C15 B5 B1 107.44(17) . . ?
B4 B5 B1 59.87(15) . . ?
B9 B5 B1 108.38(19) . . ?
C14 B5 H5 123.2 . . ?
C15 B5 H5 122.3 . . ?
B4 B5 H5 122.7 . . ?
B9 B5 H5 121.9 . . ?
B1 B5 H5 121.8 . . ?
C7 C6 C5 120.7(2) . . ?
C7 C6 H6A 119.6 . . ?
C5 C6 H6A 119.6 . . ?
C14 B6 C15 60.53(13) . . ?
C14 B6 B10 106.76(17) . . ?
C15 B6 B10 59.00(14) . . ?
C14 B6 B7 105.21(18) . . ?
C15 B6 B7 106.48(17) . . ?
B10 B6 B7 59.95(15) . . ?
C14 B6 B2 58.33(14) . . ?
C15 B6 B2 107.46(17) . . ?
B10 B6 B2 107.78(18) . . ?
B7 B6 B2 59.54(15) . . ?
C14 B6 H6 123.1 . . ?
C15 B6 H6 122.0 . . ?
B10 B6 H6 122.0 . . ?
B7 B6 H6 123.0 . . ?
B2 B6 H6 122.1 . . ?
C6 C7 C8 120.8(2) . . ?
C6 C7 H7A 119.6 . . ?
C8 C7 H7A 119.6 . . ?
B2 B7 B10 108.43(19) . . ?
B2 B7 B6 60.43(14) . . ?
B10 B7 B6 59.88(14) . . ?
B2 B7 B3 60.05(15) . . ?
B10 B7 B3 107.67(18) . . ?
B6 B7 B3 107.93(18) . . ?
B2 B7 B8 107.93(19) . . ?
B10 B7 B8 59.72(15) . . ?
B6 B7 B8 107.48(18) . . ?
B3 B7 B8 59.69(15) . . ?
B2 B7 H7 121.3 . . ?
B10 B7 H7 121.8 . . ?
B6 B7 H7 121.8 . . ?
B3 B7 H7 121.9 . . ?
B8 B7 H7 122.1 . . ?
C13 C8 C7 119.1(2) . . ?
C13 C8 H8A 120.5 . . ?
C7 C8 H8A 120.5 . . ?
B10 B8 B3 107.97(18) . . ?
B10 B8 B9 59.70(15) . . ?
B3 B8 B9 108.03(19) . . ?
B10 B8 B4 107.65(19) . . ?
B3 B8 B4 59.98(15) . . ?
B9 B8 B4 59.99(15) . . ?
B10 B8 B7 59.73(15) . . ?
B3 B8 B7 60.05(15) . . ?
B9 B8 B7 107.42(18) . . ?
B4 B8 B7 107.62(18) . . ?
B10 B8 H8 121.9 . . ?
B3 B8 H8 121.6 . . ?
B9 B8 H8 121.9 . . ?
B4 B8 H8 121.9 . . ?
B7 B8 H8 122.1 . . ?
C10 C9 C13 100.96(17) . . ?
C10 C9 C27 111.60(18) . . ?
C13 C9 C27 111.95(18) . . ?
C10 C9 C26 111.01(17) . . ?
C13 C9 C26 111.28(18) . . ?
C27 C9 C26 109.8(2) . . ?
C15 B9 B10 59.25(13) . . ?
C15 B9 B5 59.69(13) . . ?
B10 B9 B5 107.80(17) . . ?
C15 B9 B8 106.66(18) . . ?
B10 B9 B8 59.97(15) . . ?
B5 B9 B8 107.82(19) . . ?
C15 B9 B4 106.76(18) . . ?
B10 B9 B4 108.01(19) . . ?
B5 B9 B4 59.68(15) . . ?
B8 B9 B4 60.18(15) . . ?
C15 B9 H9 122.9 . . ?
B10 B9 H9 121.8 . . ?
B5 B9 H9 121.8 . . ?
B8 B9 H9 122.0 . . ?
B4 B9 H9 121.9 . . ?
C1 C10 C11 120.6(2) . . ?
C1 C10 C9 128.2(2) . . ?
C11 C10 C9 111.15(18) . . ?
C15 B10 B9 58.89(14) . . ?
C15 B10 B6 59.21(13) . . ?
B9 B10 B6 107.48(18) . . ?
C15 B10 B8 106.66(18) . . ?
B9 B10 B8 60.33(15) . . ?
B6 B10 B8 108.37(19) . . ?
C15 B10 B7 106.82(18) . . ?
B9 B10 B7 108.57(19) . . ?
B6 B10 B7 60.17(14) . . ?
B8 B10 B7 60.55(15) . . ?
C15 B10 H10 123.3 . . ?
B9 B10 H10 121.8 . . ?
B6 B10 H10 121.8 . . ?
B8 B10 H10 121.5 . . ?
B7 B10 H10 121.5 . . ?
C4 C11 C10 120.1(2) . . ?
C4 C11 C12 131.6(2) . . ?
C10 C11 C12 108.35(19) . . ?
C5 C12 C13 120.8(2) . . ?
C5 C12 C11 130.9(2) . . ?
C13 C12 C11 108.3(2) . . ?
C8 C13 C12 120.1(2) . . ?
C8 C13 C9 128.7(2) . . ?
C12 C13 C9 111.23(19) . . ?
C2 C14 B1 120.78(18) . . ?
C2 C14 B2 119.29(17) . . ?
B1 C14 B2 62.74(15) . . ?
C2 C14 B5 119.97(18) . . ?
B1 C14 B5 62.46(14) . . ?
B2 C14 B5 113.26(17) . . ?
C2 C14 B6 117.38(17) . . ?
B1 C14 B6 113.47(18) . . ?
B2 C14 B6 62.53(15) . . ?
B5 C14 B6 111.06(16) . . ?
C2 C14 C15 120.04(17) . . ?
B1 C14 C15 110.54(16) . . ?
B2 C14 C15 110.19(16) . . ?
B5 C14 C15 60.24(13) . . ?
B6 C14 C15 59.76(13) . . ?
B9 C15 B10 61.85(14) . . ?
B9 C15 B6 111.95(17) . . ?
B10 C15 B6 61.79(14) . . ?
B9 C15 B5 61.76(14) . . ?
B10 C15 B5 111.53(17) . . ?
B6 C15 B5 110.26(17) . . ?
B9 C15 C14 108.32(16) . . ?
B10 C15 C14 108.30(16) . . ?
B6 C15 C14 59.71(13) . . ?
B5 C15 C14 59.34(12) . . ?
B9 C15 Si28 120.71(15) . . ?
B10 C15 Si28 122.78(15) . . ?
B6 C15 Si28 120.37(15) . . ?
B5 C15 Si28 117.74(15) . . ?
C14 C15 Si28 120.66(14) . . ?
C9 C26 H26A 109.5 . . ?
C9 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C9 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C9 C27 H27A 109.5 . . ?
C9 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C9 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C30 Si28 C29 109.90(13) . . ?
C30 Si28 C31 109.48(12) . . ?
C29 Si28 C31 108.01(11) . . ?
C30 Si28 C15 107.25(11) . . ?
C29 Si28 C15 110.00(11) . . ?
C31 Si28 C15 112.19(10) . . ?
Si28 C29 H29A 109.5 . . ?
Si28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si28 C30 H30A 109.5 . . ?
Si28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C34 C31 C33 110.3(2) . . ?
C34 C31 C32 107.0(2) . . ?
C33 C31 C32 107.3(2) . . ?
C34 C31 Si28 114.85(17) . . ?
C33 C31 Si28 110.76(16) . . ?
C32 C31 Si28 106.18(18) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C2 C1 C10 0.8(3) . . . . ?
C14 C2 C1 C10 179.70(19) . . . . ?
B7 B2 B1 C14 98.19(19) . . . . ?
B3 B2 B1 C14 135.85(19) . . . . ?
B6 B2 B1 C14 34.80(16) . . . . ?
C14 B2 B1 B4 -98.19(19) . . . . ?
B7 B2 B1 B4 0.0(2) . . . . ?
B3 B2 B1 B4 37.65(18) . . . . ?
B6 B2 B1 B4 -63.4(2) . . . . ?
C14 B2 B1 B5 -35.07(16) . . . . ?
B7 B2 B1 B5 63.1(2) . . . . ?
B3 B2 B1 B5 100.8(2) . . . . ?
B6 B2 B1 B5 -0.3(2) . . . . ?
C14 B2 B1 B3 -135.85(19) . . . . ?
B7 B2 B1 B3 -37.65(18) . . . . ?
B6 B2 B1 B3 -101.0(2) . . . . ?
C1 C2 C3 C4 -1.5(3) . . . . ?
C14 C2 C3 C4 179.6(2) . . . . ?
C14 B2 B3 B8 -62.8(2) . . . . ?
B7 B2 B3 B8 37.27(18) . . . . ?
B1 B2 B3 B8 -100.9(2) . . . . ?
B6 B2 B3 B8 -0.8(2) . . . . ?
C14 B2 B3 B1 38.08(17) . . . . ?
B7 B2 B3 B1 138.2(2) . . . . ?
B6 B2 B3 B1 100.1(2) . . . . ?
C14 B2 B3 B4 0.8(2) . . . . ?
B7 B2 B3 B4 100.9(2) . . . . ?
B1 B2 B3 B4 -37.28(18) . . . . ?
B6 B2 B3 B4 62.8(2) . . . . ?
C14 B2 B3 B7 -100.09(19) . . . . ?
B1 B2 B3 B7 -138.2(2) . . . . ?
B6 B2 B3 B7 -38.09(17) . . . . ?
C14 B1 B3 B8 62.6(2) . . . . ?
B4 B1 B3 B8 -37.24(17) . . . . ?
B5 B1 B3 B8 0.5(2) . . . . ?
B2 B1 B3 B8 100.8(2) . . . . ?
C14 B1 B3 B2 -38.21(16) . . . . ?
B4 B1 B3 B2 -138.01(19) . . . . ?
B5 B1 B3 B2 -100.23(19) . . . . ?
C14 B1 B3 B4 99.80(19) . . . . ?
B5 B1 B3 B4 37.78(17) . . . . ?
B2 B1 B3 B4 138.01(19) . . . . ?
C14 B1 B3 B7 -1.1(2) . . . . ?
B4 B1 B3 B7 -100.9(2) . . . . ?
B5 B1 B3 B7 -63.1(2) . . . . ?
B2 B1 B3 B7 37.10(17) . . . . ?
C2 C3 C4 C11 1.5(3) . . . . ?
C14 B1 B4 B5 38.33(16) . . . . ?
B3 B1 B4 B5 137.53(19) . . . . ?
B2 B1 B4 B5 100.02(19) . . . . ?
C14 B1 B4 B3 -99.2(2) . . . . ?
B5 B1 B4 B3 -137.53(19) . . . . ?
B2 B1 B4 B3 -37.52(18) . . . . ?
C14 B1 B4 B9 1.2(2) . . . . ?
B5 B1 B4 B9 -37.17(17) . . . . ?
B3 B1 B4 B9 100.4(2) . . . . ?
B2 B1 B4 B9 62.8(2) . . . . ?
C14 B1 B4 B8 -62.2(2) . . . . ?
B5 B1 B4 B8 -100.5(2) . . . . ?
B3 B1 B4 B8 37.04(18) . . . . ?
B2 B1 B4 B8 -0.5(2) . . . . ?
B8 B3 B4 B5 100.4(2) . . . . ?
B2 B3 B4 B5 -0.6(3) . . . . ?
B1 B3 B4 B5 -38.07(18) . . . . ?
B7 B3 B4 B5 62.3(2) . . . . ?
B8 B3 B4 B1 138.49(19) . . . . ?
B2 B3 B4 B1 37.47(18) . . . . ?
B7 B3 B4 B1 100.3(2) . . . . ?
B8 B3 B4 B9 37.15(18) . . . . ?
B2 B3 B4 B9 -63.9(2) . . . . ?
B1 B3 B4 B9 -101.3(2) . . . . ?
B7 B3 B4 B9 -1.0(2) . . . . ?
B2 B3 B4 B8 -101.0(2) . . . . ?
B1 B3 B4 B8 -138.49(19) . . . . ?
B7 B3 B4 B8 -38.15(18) . . . . ?
B1 B4 B5 C14 -37.83(16) . . . . ?
B3 B4 B5 C14 0.2(2) . . . . ?
B9 B4 B5 C14 100.64(18) . . . . ?
B8 B4 B5 C14 63.3(2) . . . . ?
B1 B4 B5 C15 -100.94(18) . . . . ?
B3 B4 B5 C15 -63.0(2) . . . . ?
B9 B4 B5 C15 37.52(16) . . . . ?
B8 B4 B5 C15 0.2(2) . . . . ?
B1 B4 B5 B9 -138.47(19) . . . . ?
B3 B4 B5 B9 -100.5(2) . . . . ?
B8 B4 B5 B9 -37.34(17) . . . . ?
B3 B4 B5 B1 37.99(18) . . . . ?
B9 B4 B5 B1 138.47(19) . . . . ?
B8 B4 B5 B1 101.1(2) . . . . ?
B4 B1 B5 C14 136.05(19) . . . . ?
B3 B1 B5 C14 98.07(19) . . . . ?
B2 B1 B5 C14 34.89(16) . . . . ?
C14 B1 B5 C15 -36.78(16) . . . . ?
B4 B1 B5 C15 99.27(19) . . . . ?
B3 B1 B5 C15 61.3(2) . . . . ?
B2 B1 B5 C15 -1.9(2) . . . . ?
C14 B1 B5 B4 -136.05(19) . . . . ?
B3 B1 B5 B4 -37.97(17) . . . . ?
B2 B1 B5 B4 -101.2(2) . . . . ?
C14 B1 B5 B9 -98.62(18) . . . . ?
B4 B1 B5 B9 37.42(17) . . . . ?
B3 B1 B5 B9 -0.5(2) . . . . ?
B2 B1 B5 B9 -63.7(2) . . . . ?
C12 C5 C6 C7 -0.5(3) . . . . ?
B7 B2 B6 C14 -136.09(18) . . . . ?
B3 B2 B6 C14 -97.83(19) . . . . ?
B1 B2 B6 C14 -34.54(16) . . . . ?
C14 B2 B6 C15 36.88(15) . . . . ?
B7 B2 B6 C15 -99.22(19) . . . . ?
B3 B2 B6 C15 -61.0(2) . . . . ?
B1 B2 B6 C15 2.3(2) . . . . ?
C14 B2 B6 B10 99.09(18) . . . . ?
B7 B2 B6 B10 -37.00(17) . . . . ?
B3 B2 B6 B10 1.3(2) . . . . ?
B1 B2 B6 B10 64.6(2) . . . . ?
C14 B2 B6 B7 136.09(18) . . . . ?
B3 B2 B6 B7 38.26(17) . . . . ?
B1 B2 B6 B7 101.55(19) . . . . ?
C5 C6 C7 C8 0.2(4) . . . . ?
C14 B2 B7 B10 -1.2(2) . . . . ?
B3 B2 B7 B10 -100.2(2) . . . . ?
B1 B2 B7 B10 -62.7(2) . . . . ?
B6 B2 B7 B10 37.13(17) . . . . ?
C14 B2 B7 B6 -38.32(16) . . . . ?
B3 B2 B7 B6 -137.34(19) . . . . ?
B1 B2 B7 B6 -99.86(19) . . . . ?
C14 B2 B7 B3 99.02(19) . . . . ?
B1 B2 B7 B3 37.48(18) . . . . ?
B6 B2 B7 B3 137.34(19) . . . . ?
C14 B2 B7 B8 62.0(2) . . . . ?
B3 B2 B7 B8 -37.00(18) . . . . ?
B1 B2 B7 B8 0.5(2) . . . . ?
B6 B2 B7 B8 100.3(2) . . . . ?
C14 B6 B7 B2 37.71(16) . . . . ?
C15 B6 B7 B2 100.89(18) . . . . ?
B10 B6 B7 B2 138.54(19) . . . . ?
C14 B6 B7 B10 -100.83(18) . . . . ?
C15 B6 B7 B10 -37.65(16) . . . . ?
B2 B6 B7 B10 -138.54(19) . . . . ?
C14 B6 B7 B3 -0.4(2) . . . . ?
C15 B6 B7 B3 62.8(2) . . . . ?
B10 B6 B7 B3 100.4(2) . . . . ?
B2 B6 B7 B3 -38.11(17) . . . . ?
C14 B6 B7 B8 -63.4(2) . . . . ?
C15 B6 B7 B8 -0.2(2) . . . . ?
B10 B6 B7 B8 37.45(17) . . . . ?
B2 B6 B7 B8 -101.1(2) . . . . ?
B8 B3 B7 B2 -138.4(2) . . . . ?
B1 B3 B7 B2 -37.33(18) . . . . ?
B4 B3 B7 B2 -100.3(2) . . . . ?
B8 B3 B7 B10 -36.94(17) . . . . ?
B2 B3 B7 B10 101.5(2) . . . . ?
B1 B3 B7 B10 64.2(2) . . . . ?
B4 B3 B7 B10 1.2(2) . . . . ?
B8 B3 B7 B6 -100.2(2) . . . . ?
B2 B3 B7 B6 38.28(17) . . . . ?
B1 B3 B7 B6 0.9(2) . . . . ?
B4 B3 B7 B6 -62.0(2) . . . . ?
B2 B3 B7 B8 138.4(2) . . . . ?
B1 B3 B7 B8 101.1(2) . . . . ?
B4 B3 B7 B8 38.14(18) . . . . ?
C6 C7 C8 C13 0.2(4) . . . . ?
B2 B3 B8 B10 0.1(3) . . . . ?
B1 B3 B8 B10 -63.4(2) . . . . ?
B4 B3 B8 B10 -100.4(2) . . . . ?
B7 B3 B8 B10 37.01(18) . . . . ?
B2 B3 B8 B9 63.2(2) . . . . ?
B1 B3 B8 B9 -0.3(2) . . . . ?
B4 B3 B8 B9 -37.30(17) . . . . ?
B7 B3 B8 B9 100.1(2) . . . . ?
B2 B3 B8 B4 100.5(2) . . . . ?
B1 B3 B8 B4 36.98(17) . . . . ?
B7 B3 B8 B4 137.42(19) . . . . ?
B2 B3 B8 B7 -36.95(18) . . . . ?
B1 B3 B8 B7 -100.4(2) . . . . ?
B4 B3 B8 B7 -137.42(19) . . . . ?
B5 B4 B8 B10 0.0(2) . . . . ?
B1 B4 B8 B10 63.8(2) . . . . ?
B3 B4 B8 B10 101.0(2) . . . . ?
B9 B4 B8 B10 -37.34(17) . . . . ?
B5 B4 B8 B3 -100.9(2) . . . . ?
B1 B4 B8 B3 -37.20(18) . . . . ?
B9 B4 B8 B3 -138.29(19) . . . . ?
B5 B4 B8 B9 37.37(17) . . . . ?
B1 B4 B8 B9 101.09(19) . . . . ?
B3 B4 B8 B9 138.29(19) . . . . ?
B5 B4 B8 B7 -63.0(2) . . . . ?
B1 B4 B8 B7 0.8(2) . . . . ?
B3 B4 B8 B7 37.96(18) . . . . ?
B9 B4 B8 B7 -100.3(2) . . . . ?
B2 B7 B8 B10 -101.3(2) . . . . ?
B6 B7 B8 B10 -37.52(17) . . . . ?
B3 B7 B8 B10 -138.5(2) . . . . ?
B2 B7 B8 B3 37.17(18) . . . . ?
B10 B7 B8 B3 138.5(2) . . . . ?
B6 B7 B8 B3 100.9(2) . . . . ?
B2 B7 B8 B9 -64.0(2) . . . . ?
B10 B7 B8 B9 37.30(18) . . . . ?
B6 B7 B8 B9 -0.2(2) . . . . ?
B3 B7 B8 B9 -101.2(2) . . . . ?
B2 B7 B8 B4 -0.8(2) . . . . ?
B10 B7 B8 B4 100.5(2) . . . . ?
B6 B7 B8 B4 63.0(2) . . . . ?
B3 B7 B8 B4 -37.93(18) . . . . ?
C14 B5 B9 C15 38.12(16) . . . . ?
B4 B5 B9 C15 136.79(19) . . . . ?
B1 B5 B9 C15 99.61(18) . . . . ?
C14 B5 B9 B10 2.2(2) . . . . ?
C15 B5 B9 B10 -35.93(16) . . . . ?
B4 B5 B9 B10 100.9(2) . . . . ?
B1 B5 B9 B10 63.7(2) . . . . ?
C14 B5 B9 B8 -61.1(2) . . . . ?
C15 B5 B9 B8 -99.26(19) . . . . ?
B4 B5 B9 B8 37.53(17) . . . . ?
B1 B5 B9 B8 0.4(2) . . . . ?
C14 B5 B9 B4 -98.67(19) . . . . ?
C15 B5 B9 B4 -136.79(19) . . . . ?
B1 B5 B9 B4 -37.18(17) . . . . ?
B10 B8 B9 C15 37.87(16) . . . . ?
B3 B8 B9 C15 -62.8(2) . . . . ?
B4 B8 B9 C15 -100.11(19) . . . . ?
B7 B8 B9 C15 0.6(2) . . . . ?
B3 B8 B9 B10 -100.7(2) . . . . ?
B4 B8 B9 B10 -137.98(19) . . . . ?
B7 B8 B9 B10 -37.31(17) . . . . ?
B10 B8 B9 B5 100.67(19) . . . . ?
B3 B8 B9 B5 0.0(2) . . . . ?
B4 B8 B9 B5 -37.31(17) . . . . ?
B7 B8 B9 B5 63.4(2) . . . . ?
B10 B8 B9 B4 137.98(19) . . . . ?
B3 B8 B9 B4 37.29(18) . . . . ?
B7 B8 B9 B4 100.7(2) . . . . ?
B5 B4 B9 C15 -38.12(16) . . . . ?
B1 B4 B9 C15 -0.8(2) . . . . ?
B3 B4 B9 C15 62.8(2) . . . . ?
B8 B4 B9 C15 99.93(19) . . . . ?
B5 B4 B9 B10 -100.50(19) . . . . ?
B1 B4 B9 B10 -63.2(2) . . . . ?
B3 B4 B9 B10 0.4(2) . . . . ?
B8 B4 B9 B10 37.55(17) . . . . ?
B1 B4 B9 B5 37.35(17) . . . . ?
B3 B4 B9 B5 100.9(2) . . . . ?
B8 B4 B9 B5 138.05(18) . . . . ?
B5 B4 B9 B8 -138.05(18) . . . . ?
B1 B4 B9 B8 -100.7(2) . . . . ?
B3 B4 B9 B8 -37.13(17) . . . . ?
C2 C1 C10 C11 -0.2(3) . . . . ?
C2 C1 C10 C9 179.3(2) . . . . ?
C13 C9 C10 C1 179.0(2) . . . . ?
C27 C9 C10 C1 59.9(3) . . . . ?
C26 C9 C10 C1 -63.0(3) . . . . ?
C13 C9 C10 C11 -1.5(2) . . . . ?
C27 C9 C10 C11 -120.6(2) . . . . ?
C26 C9 C10 C11 116.6(2) . . . . ?
B5 B9 B10 C15 36.11(16) . . . . ?
B8 B9 B10 C15 136.82(18) . . . . ?
B4 B9 B10 C15 99.17(19) . . . . ?
C15 B9 B10 B6 -35.23(17) . . . . ?
B5 B9 B10 B6 0.9(2) . . . . ?
B8 B9 B10 B6 101.6(2) . . . . ?
B4 B9 B10 B6 63.9(2) . . . . ?
C15 B9 B10 B8 -136.82(18) . . . . ?
B5 B9 B10 B8 -100.7(2) . . . . ?
B4 B9 B10 B8 -37.64(17) . . . . ?
C15 B9 B10 B7 -98.85(19) . . . . ?
B5 B9 B10 B7 -62.7(2) . . . . ?
B8 B9 B10 B7 37.97(17) . . . . ?
B4 B9 B10 B7 0.3(2) . . . . ?
C14 B6 B10 C15 -38.71(16) . . . . ?
B7 B6 B10 C15 -136.89(19) . . . . ?
B2 B6 B10 C15 -100.07(18) . . . . ?
C14 B6 B10 B9 -3.6(2) . . . . ?
C15 B6 B10 B9 35.10(17) . . . . ?
B7 B6 B10 B9 -101.8(2) . . . . ?
B2 B6 B10 B9 -65.0(2) . . . . ?
C14 B6 B10 B8 60.1(2) . . . . ?
C15 B6 B10 B8 98.84(19) . . . . ?
B7 B6 B10 B8 -38.05(18) . . . . ?
B2 B6 B10 B8 -1.2(2) . . . . ?
C14 B6 B10 B7 98.18(19) . . . . ?
C15 B6 B10 B7 136.89(19) . . . . ?
B2 B6 B10 B7 36.82(17) . . . . ?
B3 B8 B10 C15 63.1(2) . . . . ?
B9 B8 B10 C15 -37.71(16) . . . . ?
B4 B8 B10 C15 -0.2(2) . . . . ?
B7 B8 B10 C15 100.25(19) . . . . ?
B3 B8 B10 B9 100.8(2) . . . . ?
B4 B8 B10 B9 37.47(17) . . . . ?
B7 B8 B10 B9 137.96(19) . . . . ?
B3 B8 B10 B6 0.7(2) . . . . ?
B9 B8 B10 B6 -100.08(19) . . . . ?
B4 B8 B10 B6 -62.6(2) . . . . ?
B7 B8 B10 B6 37.88(17) . . . . ?
B3 B8 B10 B7 -37.16(18) . . . . ?
B9 B8 B10 B7 -137.96(19) . . . . ?
B4 B8 B10 B7 -100.5(2) . . . . ?
B2 B7 B10 C15 0.5(2) . . . . ?
B6 B7 B10 C15 37.83(16) . . . . ?
B3 B7 B10 C15 -63.1(2) . . . . ?
B8 B7 B10 C15 -99.98(19) . . . . ?
B2 B7 B10 B9 62.6(2) . . . . ?
B6 B7 B10 B9 99.94(19) . . . . ?
B3 B7 B10 B9 -0.9(2) . . . . ?
B8 B7 B10 B9 -37.87(17) . . . . ?
B2 B7 B10 B6 -37.37(17) . . . . ?
B3 B7 B10 B6 -100.88(19) . . . . ?
B8 B7 B10 B6 -137.81(19) . . . . ?
B2 B7 B10 B8 100.4(2) . . . . ?
B6 B7 B10 B8 137.81(19) . . . . ?
B3 B7 B10 B8 36.92(18) . . . . ?
C3 C4 C11 C10 -0.9(3) . . . . ?
C3 C4 C11 C12 178.3(2) . . . . ?
C1 C10 C11 C4 0.3(3) . . . . ?
C9 C10 C11 C4 -179.33(19) . . . . ?
C1 C10 C11 C12 -179.14(19) . . . . ?
C9 C10 C11 C12 1.3(2) . . . . ?
C6 C5 C12 C13 0.4(3) . . . . ?
C6 C5 C12 C11 -179.9(2) . . . . ?
C4 C11 C12 C5 0.5(4) . . . . ?
C10 C11 C12 C5 179.8(2) . . . . ?
C4 C11 C12 C13 -179.8(2) . . . . ?
C10 C11 C12 C13 -0.5(2) . . . . ?
C7 C8 C13 C12 -0.3(3) . . . . ?
C7 C8 C13 C9 -179.5(2) . . . . ?
C5 C12 C13 C8 0.0(3) . . . . ?
C11 C12 C13 C8 -179.77(19) . . . . ?
C5 C12 C13 C9 179.3(2) . . . . ?
C11 C12 C13 C9 -0.5(2) . . . . ?
C10 C9 C13 C8 -179.6(2) . . . . ?
C27 C9 C13 C8 -60.8(3) . . . . ?
C26 C9 C13 C8 62.5(3) . . . . ?
C10 C9 C13 C12 1.2(2) . . . . ?
C27 C9 C13 C12 120.0(2) . . . . ?
C26 C9 C13 C12 -116.7(2) . . . . ?
C1 C2 C14 B1 -110.6(2) . . . . ?
C3 C2 C14 B1 68.3(3) . . . . ?
C1 C2 C14 B2 -36.7(3) . . . . ?
C3 C2 C14 B2 142.2(2) . . . . ?
C1 C2 C14 B5 175.55(19) . . . . ?
C3 C2 C14 B5 -5.6(3) . . . . ?
C1 C2 C14 B6 35.6(3) . . . . ?
C3 C2 C14 B6 -145.5(2) . . . . ?
C1 C2 C14 C15 104.7(2) . . . . ?
C3 C2 C14 C15 -76.4(3) . . . . ?
B4 B1 C14 C2 -148.8(2) . . . . ?
B5 B1 C14 C2 -110.2(2) . . . . ?
B3 B1 C14 C2 148.3(2) . . . . ?
B2 B1 C14 C2 109.5(2) . . . . ?
B4 B1 C14 B2 101.7(2) . . . . ?
B5 B1 C14 B2 140.31(19) . . . . ?
B3 B1 C14 B2 38.78(17) . . . . ?
B4 B1 C14 B5 -38.63(17) . . . . ?
B3 B1 C14 B5 -101.5(2) . . . . ?
B2 B1 C14 B5 -140.31(19) . . . . ?
B4 B1 C14 B6 63.8(2) . . . . ?
B5 B1 C14 B6 102.44(19) . . . . ?
B3 B1 C14 B6 0.9(2) . . . . ?
B2 B1 C14 B6 -37.87(18) . . . . ?
B4 B1 C14 C15 -1.1(2) . . . . ?
B5 B1 C14 C15 37.51(16) . . . . ?
B3 B1 C14 C15 -64.0(2) . . . . ?
B2 B1 C14 C15 -102.81(18) . . . . ?
B7 B2 C14 C2 146.35(18) . . . . ?
B3 B2 C14 C2 -150.56(19) . . . . ?
B1 B2 C14 C2 -111.8(2) . . . . ?
B6 B2 C14 C2 107.6(2) . . . . ?
B7 B2 C14 B1 -101.87(19) . . . . ?
B3 B2 C14 B1 -38.78(18) . . . . ?
B6 B2 C14 B1 -140.61(18) . . . . ?
B7 B2 C14 B5 -63.8(2) . . . . ?
B3 B2 C14 B5 -0.7(2) . . . . ?
B1 B2 C14 B5 38.05(18) . . . . ?
B6 B2 C14 B5 -102.56(19) . . . . ?
B7 B2 C14 B6 38.74(17) . . . . ?
B3 B2 C14 B6 101.82(19) . . . . ?
B1 B2 C14 B6 140.61(18) . . . . ?
B7 B2 C14 C15 1.5(2) . . . . ?
B3 B2 C14 C15 64.6(2) . . . . ?
B1 B2 C14 C15 103.36(18) . . . . ?
B6 B2 C14 C15 -37.25(16) . . . . ?
C15 B5 C14 C2 -109.6(2) . . . . ?
B4 B5 C14 C2 149.96(19) . . . . ?
B9 B5 C14 C2 -146.89(19) . . . . ?
B1 B5 C14 C2 111.4(2) . . . . ?
C15 B5 C14 B1 138.95(18) . . . . ?
B4 B5 C14 B1 38.53(17) . . . . ?
B9 B5 C14 B1 101.7(2) . . . . ?
C15 B5 C14 B2 100.78(19) . . . . ?
B4 B5 C14 B2 0.4(2) . . . . ?
B9 B5 C14 B2 63.5(2) . . . . ?
B1 B5 C14 B2 -38.16(18) . . . . ?
C15 B5 C14 B6 32.66(17) . . . . ?
B4 B5 C14 B6 -67.8(2) . . . . ?
B9 B5 C14 B6 -4.6(2) . . . . ?
B1 B5 C14 B6 -106.3(2) . . . . ?
B4 B5 C14 C15 -100.42(18) . . . . ?
B9 B5 C14 C15 -37.27(16) . . . . ?
B1 B5 C14 C15 -138.95(18) . . . . ?
C15 B6 C14 C2 110.5(2) . . . . ?
B10 B6 C14 C2 148.52(19) . . . . ?
B7 B6 C14 C2 -148.87(18) . . . . ?
B2 B6 C14 C2 -110.6(2) . . . . ?
C15 B6 C14 B1 -100.93(18) . . . . ?
B10 B6 C14 B1 -62.9(2) . . . . ?
B7 B6 C14 B1 -0.3(2) . . . . ?
B2 B6 C14 B1 37.96(18) . . . . ?
C15 B6 C14 B2 -138.89(17) . . . . ?
B10 B6 C14 B2 -100.89(19) . . . . ?
B7 B6 C14 B2 -38.28(16) . . . . ?
C15 B6 C14 B5 -32.83(17) . . . . ?
B10 B6 C14 B5 5.2(2) . . . . ?
B7 B6 C14 B5 67.8(2) . . . . ?
B2 B6 C14 B5 106.06(19) . . . . ?
B10 B6 C14 C15 38.00(16) . . . . ?
B7 B6 C14 C15 100.61(18) . . . . ?
B2 B6 C14 C15 138.89(17) . . . . ?
B5 B9 C15 B10 -139.46(19) . . . . ?
B8 B9 C15 B10 -38.20(17) . . . . ?
B4 B9 C15 B10 -101.3(2) . . . . ?
B10 B9 C15 B6 37.48(17) . . . . ?
B5 B9 C15 B6 -101.97(19) . . . . ?
B8 B9 C15 B6 -0.7(2) . . . . ?
B4 B9 C15 B6 -63.9(2) . . . . ?
B10 B9 C15 B5 139.46(19) . . . . ?
B8 B9 C15 B5 101.3(2) . . . . ?
B4 B9 C15 B5 38.12(17) . . . . ?
B10 B9 C15 C14 101.42(18) . . . . ?
B5 B9 C15 C14 -38.04(16) . . . . ?
B8 B9 C15 C14 63.2(2) . . . . ?
B4 B9 C15 C14 0.1(2) . . . . ?
B10 B9 C15 Si28 -113.35(18) . . . . ?
B5 B9 C15 Si28 107.19(18) . . . . ?
B8 B9 C15 Si28 -151.56(16) . . . . ?
B4 B9 C15 Si28 145.31(16) . . . . ?
B6 B10 C15 B9 140.17(19) . . . . ?
B8 B10 C15 B9 38.36(17) . . . . ?
B7 B10 C15 B9 101.9(2) . . . . ?
B9 B10 C15 B6 -140.17(19) . . . . ?
B8 B10 C15 B6 -101.81(19) . . . . ?
B7 B10 C15 B6 -38.27(17) . . . . ?
B9 B10 C15 B5 -38.00(17) . . . . ?
B6 B10 C15 B5 102.17(18) . . . . ?
B8 B10 C15 B5 0.4(2) . . . . ?
B7 B10 C15 B5 63.9(2) . . . . ?
B9 B10 C15 C14 -101.45(17) . . . . ?
B6 B10 C15 C14 38.72(16) . . . . ?
B8 B10 C15 C14 -63.1(2) . . . . ?
B7 B10 C15 C14 0.4(2) . . . . ?
B9 B10 C15 Si28 110.14(18) . . . . ?
B6 B10 C15 Si28 -109.69(18) . . . . ?
B8 B10 C15 Si28 148.51(15) . . . . ?
B7 B10 C15 Si28 -147.96(15) . . . . ?
C14 B6 C15 B9 99.04(18) . . . . ?
B10 B6 C15 B9 -37.51(17) . . . . ?
B7 B6 C15 B9 0.6(2) . . . . ?
B2 B6 C15 B9 63.1(2) . . . . ?
C14 B6 C15 B10 136.55(18) . . . . ?
B7 B6 C15 B10 38.09(17) . . . . ?
B2 B6 C15 B10 100.63(19) . . . . ?
C14 B6 C15 B5 32.31(16) . . . . ?
B10 B6 C15 B5 -104.24(19) . . . . ?
B7 B6 C15 B5 -66.1(2) . . . . ?
B2 B6 C15 B5 -3.6(2) . . . . ?
B10 B6 C15 C14 -136.55(18) . . . . ?
B7 B6 C15 C14 -98.46(19) . . . . ?
B2 B6 C15 C14 -35.92(16) . . . . ?
C14 B6 C15 Si28 -110.02(17) . . . . ?
B10 B6 C15 Si28 113.44(18) . . . . ?
B7 B6 C15 Si28 151.53(15) . . . . ?
B2 B6 C15 Si28 -145.93(15) . . . . ?
C14 B5 C15 B9 -137.15(18) . . . . ?
B4 B5 C15 B9 -38.38(17) . . . . ?
B1 B5 C15 B9 -101.3(2) . . . . ?
C14 B5 C15 B10 -99.12(18) . . . . ?
B4 B5 C15 B10 -0.3(2) . . . . ?
B9 B5 C15 B10 38.04(17) . . . . ?
B1 B5 C15 B10 -63.2(2) . . . . ?
C14 B5 C15 B6 -32.44(16) . . . . ?
B4 B5 C15 B6 66.3(2) . . . . ?
B9 B5 C15 B6 104.71(19) . . . . ?
B1 B5 C15 B6 3.4(2) . . . . ?
B4 B5 C15 C14 98.77(18) . . . . ?
B9 B5 C15 C14 137.15(18) . . . . ?
B1 B5 C15 C14 35.89(16) . . . . ?
C14 B5 C15 Si28 110.98(16) . . . . ?
B4 B5 C15 Si28 -150.25(15) . . . . ?
B9 B5 C15 Si28 -111.87(17) . . . . ?
B1 B5 C15 Si28 146.87(15) . . . . ?
C2 C14 C15 B9 148.65(19) . . . . ?
B1 C14 C15 B9 0.7(2) . . . . ?
B2 C14 C15 B9 -66.8(2) . . . . ?
B5 C14 C15 B9 39.13(17) . . . . ?
B6 C14 C15 B9 -105.22(19) . . . . ?
C2 C14 C15 B10 -145.80(19) . . . . ?
B1 C14 C15 B10 66.2(2) . . . . ?
B2 C14 C15 B10 -1.2(2) . . . . ?
B5 C14 C15 B10 104.68(18) . . . . ?
B6 C14 C15 B10 -39.67(16) . . . . ?
C2 C14 C15 B6 -106.1(2) . . . . ?
B1 C14 C15 B6 105.89(19) . . . . ?
B2 C14 C15 B6 38.43(17) . . . . ?
B5 C14 C15 B6 144.35(18) . . . . ?
C2 C14 C15 B5 109.5(2) . . . . ?
B1 C14 C15 B5 -38.46(17) . . . . ?
B2 C14 C15 B5 -105.92(19) . . . . ?
B6 C14 C15 B5 -144.35(18) . . . . ?
C2 C14 C15 Si28 3.4(2) . . . . ?
B1 C14 C15 Si28 -144.58(16) . . . . ?
B2 C14 C15 Si28 147.96(15) . . . . ?
B5 C14 C15 Si28 -106.12(17) . . . . ?
B6 C14 C15 Si28 109.53(17) . . . . ?

_refine_diff_density_max         0.263
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.053



####################################################################### 
# 
# 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_3CE
_audit_block_doi                 10.5517/ccdc.csd.cc2l61vq
_database_code_depnum_ccdc_archive 'CCDC 2389103'
loop_
_audit_author_name
_audit_author_address
'Kang Mun Lee'
;Kangwon National University
South Korea
;
_audit_update_record             
;
2024-10-07 deposited with the CCDC.	2024-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H34 B10 Si'
_chemical_formula_sum            'C21 H34 B10 Si'
_chemical_formula_weight         422.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.0417(4)
_cell_length_b                   11.2430(5)
_cell_length_c                   12.4505(6)
_cell_angle_alpha                98.9030(15)
_cell_angle_beta                 93.8354(17)
_cell_angle_gamma                91.7182(18)
_cell_volume                     1246.57(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    203(2)
_cell_measurement_reflns_used    9913
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      27.01

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.126
_exptl_crystal_F_000             448
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.224
_exptl_crystal_size_mid          0.162
_exptl_crystal_size_min          0.043
_exptl_absorpt_coefficient_mu    0.102
_shelx_estimated_absorpt_T_min   0.977
_shelx_estimated_absorpt_T_max   0.996
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6839
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      203(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Ius 3.0 microfocus source'
_diffrn_measurement_device_type  'PHOTON II CPAD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27362
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_av_R_equivalents  0.0870
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.661
_diffrn_reflns_theta_max         27.037
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5432
_reflns_number_gt                4172
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX5 software'
_computing_cell_refinement       'Bruker APEX5 software'
_computing_data_reduction        'Bruker APEX5 software'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0628P)²+0.4796P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5432
_refine_ls_number_parameters     314
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0739
_refine_ls_R_factor_gt           0.0517
_refine_ls_wR_factor_ref         0.1424
_refine_ls_wR_factor_gt          0.1287
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C2 C 0.7857(2) 0.45289(15) 0.80188(14) 0.0292(4) Uani 1 1 d . . . . .
B2 B 1.0872(2) 0.4101(2) 0.81041(18) 0.0347(5) Uani 1 1 d . . . . .
H2 H 1.124372 0.502879 0.851708 0.042 Uiso 1 1 calc R U . . .
C1 C 0.8079(2) 0.57212(16) 0.78433(14) 0.0303(4) Uani 1 1 d . . . . .
H1A H 0.897327 0.596687 0.756664 0.036 Uiso 1 1 calc R U . . .
B1 B 0.9972(3) 0.3058(2) 0.88102(18) 0.0348(5) Uani 1 1 d . . . . .
H1 H 0.974677 0.329272 0.968986 0.042 Uiso 1 1 calc R U . . .
C3 C 0.6535(2) 0.41893(16) 0.84323(15) 0.0329(4) Uani 1 1 d . . . . .
H3A H 0.638392 0.338274 0.855503 0.039 Uiso 1 1 calc R U . . .
B3 B 1.1791(3) 0.2796(2) 0.8389(2) 0.0385(5) Uani 1 1 d . . . . .
H3 H 1.277790 0.285131 0.899030 0.046 Uiso 1 1 calc R U . . .
C4 C 0.5435(2) 0.50107(17) 0.86672(15) 0.0332(4) Uani 1 1 d . . . . .
H4A H 0.453725 0.476850 0.894105 0.040 Uiso 1 1 calc R U . . .
B4 B 1.0433(3) 0.1586(2) 0.82298(19) 0.0367(5) Uani 1 1 d . . . . .
H4 H 1.051716 0.083979 0.872876 0.044 Uiso 1 1 calc R U . . .
C5 C 0.3395(2) 0.73957(19) 0.91529(16) 0.0381(4) Uani 1 1 d . . . . .
H5A H 0.288808 0.673545 0.937938 0.046 Uiso 1 1 calc R U . . .
B5 B 0.8706(2) 0.21476(18) 0.78494(17) 0.0307(4) Uani 1 1 d . . . . .
H5 H 0.762900 0.178558 0.808813 0.037 Uiso 1 1 calc R U . . .
C6 C 0.2799(2) 0.8527(2) 0.92667(17) 0.0439(5) Uani 1 1 d . . . . .
H6A H 0.187635 0.864564 0.958245 0.053 Uiso 1 1 calc R U . . .
B6 B 1.0143(2) 0.38219(19) 0.67208(17) 0.0321(4) Uani 1 1 d . . . . .
H6 H 1.001094 0.455976 0.621628 0.039 Uiso 1 1 calc R U . . .
C7 C 0.3535(3) 0.9487(2) 0.89243(17) 0.0443(5) Uani 1 1 d . . . . .
H7A H 0.310360 1.025319 0.900101 0.053 Uiso 1 1 calc R U . . .
B7 B 1.1896(3) 0.3284(2) 0.7093(2) 0.0375(5) Uani 1 1 d . . . . .
H7 H 1.294973 0.366876 0.683859 0.045 Uiso 1 1 calc R U . . .
C8 C 0.4893(2) 0.93446(18) 0.84718(16) 0.0394(5) Uani 1 1 d . . . . .
H8A H 0.539188 1.000456 0.823889 0.047 Uiso 1 1 calc R U . . .
B8 B 1.1639(3) 0.1716(2) 0.7177(2) 0.0386(5) Uani 1 1 d . . . . .
H8 H 1.252615 0.105965 0.698001 0.046 Uiso 1 1 calc R U . . .
C9 C 0.6990(2) 0.78549(16) 0.79285(14) 0.0310(4) Uani 1 1 d . . . . .
B9 B 0.9726(2) 0.1322(2) 0.68474(18) 0.0350(5) Uani 1 1 d . . . . .
H9 H 0.933615 0.040260 0.642502 0.042 Uiso 1 1 calc R U . . .
C10 C 0.6990(2) 0.65338(15) 0.80750(14) 0.0287(4) Uani 1 1 d . . . . .
B10 B 1.0629(3) 0.2356(2) 0.61539(18) 0.0371(5) Uani 1 1 d . . . . .
H10 H 1.084519 0.212083 0.527238 0.045 Uiso 1 1 calc R U . . .
C11 C 0.5673(2) 0.61884(16) 0.84950(14) 0.0298(4) Uani 1 1 d . . . . .
C12 C 0.4759(2) 0.72529(16) 0.86973(14) 0.0315(4) Uani 1 1 d . . . . .
C13 C 0.5508(2) 0.82180(16) 0.83656(14) 0.0315(4) Uani 1 1 d . . . . .
C14 C 0.9058(2) 0.36459(15) 0.77787(14) 0.0280(4) Uani 1 1 d . . . . .
C15 C 0.8892(2) 0.26152(15) 0.66089(14) 0.0295(4) Uani 1 1 d . . . . .
C26 C 0.8288(2) 0.85841(18) 0.85958(18) 0.0419(5) Uani 1 1 d . . . . .
H26A H 0.818409 0.944171 0.855637 0.063 Uiso 1 1 calc R U . . .
H26B H 0.922274 0.831970 0.830126 0.063 Uiso 1 1 calc R U . . .
H26C H 0.828740 0.845800 0.935716 0.063 Uiso 1 1 calc R U . . .
C27 C 0.7021(3) 0.7972(2) 0.67165(16) 0.0457(5) Uani 1 1 d . . . . .
H27A H 0.692779 0.881926 0.662988 0.068 Uiso 1 1 calc R U . . .
H27B H 0.619309 0.748883 0.630030 0.068 Uiso 1 1 calc R U . . .
H27C H 0.795990 0.768428 0.644644 0.068 Uiso 1 1 calc R U . . .
Si28 Si 0.71676(6) 0.25214(5) 0.55844(4) 0.03692(16) Uani 1 1 d . . . . .
C29 C 0.6466(3) 0.4034(2) 0.5469(2) 0.0570(7) Uani 1 1 d . . . . .
H29A H 0.572205 0.396806 0.485149 0.086 Uiso 1 1 calc R U . . .
H29B H 0.729152 0.457403 0.535440 0.086 Uiso 1 1 calc R U . . .
H29C H 0.601473 0.435790 0.614176 0.086 Uiso 1 1 calc R U . . .
C30 C 0.5690(3) 0.1571(2) 0.6057(2) 0.0595(7) Uani 1 1 d . . . . .
H30A H 0.482827 0.147457 0.552601 0.089 Uiso 1 1 calc R U . . .
H30B H 0.539521 0.196208 0.676573 0.089 Uiso 1 1 calc R U . . .
H30C H 0.607116 0.077816 0.612882 0.089 Uiso 1 1 calc R U . . .
C31 C 0.7757(7) 0.1882(7) 0.4214(5) 0.0491(15) Uani 0.75(2) 1 d . U P A 1
H31A H 0.845693 0.123772 0.430362 0.059 Uiso 0.75(2) 1 calc R U P A 1
H31B H 0.687433 0.150260 0.376305 0.059 Uiso 0.75(2) 1 calc R U P A 1
C32 C 0.8501(7) 0.2788(11) 0.3589(4) 0.070(2) Uani 0.75(2) 1 d . U P A 1
H32A H 0.874439 0.237334 0.287497 0.105 Uiso 0.75(2) 1 calc R U P A 1
H32B H 0.941217 0.313659 0.400470 0.105 Uiso 0.75(2) 1 calc R U P A 1
H32C H 0.782089 0.343102 0.349010 0.105 Uiso 0.75(2) 1 calc R U P A 1
C41 C 0.763(3) 0.149(2) 0.4389(17) 0.058(4) Uani 0.25(2) 1 d . U P A 2
H41A H 0.829385 0.087744 0.461903 0.069 Uiso 0.25(2) 1 calc R U P A 2
H41B H 0.671631 0.107247 0.401973 0.069 Uiso 0.25(2) 1 calc R U P A 2
C42 C 0.840(2) 0.216(3) 0.3594(16) 0.071(4) Uani 0.25(2) 1 d . U P A 2
H42A H 0.871621 0.158274 0.298950 0.106 Uiso 0.25(2) 1 calc R U P A 2
H42B H 0.927387 0.262417 0.397230 0.106 Uiso 0.25(2) 1 calc R U P A 2
H42C H 0.771388 0.271512 0.330892 0.106 Uiso 0.25(2) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C2 C3 1.399(3) . ?
C2 C1 1.402(2) . ?
C2 C14 1.507(2) . ?
B2 C14 1.707(3) . ?
B2 B7 1.770(3) . ?
B2 B3 1.779(3) . ?
B2 B1 1.780(3) . ?
B2 B6 1.780(3) . ?
B2 H2 1.1200 . ?
C1 C10 1.377(2) . ?
C1 H1A 0.9500 . ?
B1 C14 1.710(3) . ?
B1 B4 1.774(3) . ?
B1 B5 1.777(3) . ?
B1 B3 1.778(3) . ?
B1 H1 1.1200 . ?
C3 C4 1.392(3) . ?
C3 H3A 0.9500 . ?
B3 B8 1.779(3) . ?
B3 B4 1.783(3) . ?
B3 B7 1.790(3) . ?
B3 H3 1.1200 . ?
C4 C11 1.386(3) . ?
C4 H4A 0.9500 . ?
B4 B5 1.765(3) . ?
B4 B9 1.773(3) . ?
B4 B8 1.781(3) . ?
B4 H4 1.1200 . ?
C5 C6 1.387(3) . ?
C5 C12 1.395(3) . ?
C5 H5A 0.9500 . ?
B5 C14 1.722(3) . ?
B5 C15 1.724(3) . ?
B5 B9 1.765(3) . ?
B5 H5 1.1200 . ?
C6 C7 1.389(3) . ?
C6 H6A 0.9500 . ?
B6 C15 1.723(3) . ?
B6 C14 1.726(3) . ?
B6 B10 1.770(3) . ?
B6 B7 1.771(3) . ?
B6 H6 1.1200 . ?
C7 C8 1.388(3) . ?
C7 H7A 0.9500 . ?
B7 B10 1.772(3) . ?
B7 B8 1.791(3) . ?
B7 H7 1.1200 . ?
C8 C13 1.390(3) . ?
C8 H8A 0.9500 . ?
B8 B10 1.772(3) . ?
B8 B9 1.777(3) . ?
B8 H8 1.1200 . ?
C9 C13 1.524(3) . ?
C9 C10 1.524(2) . ?
C9 C26 1.529(3) . ?
C9 C27 1.537(2) . ?
B9 C15 1.715(3) . ?
B9 B10 1.764(3) . ?
B9 H9 1.1200 . ?
C10 C11 1.401(3) . ?
B10 C15 1.723(3) . ?
B10 H10 1.1200 . ?
C11 C12 1.474(2) . ?
C12 C13 1.392(3) . ?
C14 C15 1.710(2) . ?
C15 Si28 1.9368(18) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
Si28 C41 1.82(2) . ?
Si28 C29 1.855(2) . ?
Si28 C31 1.865(6) . ?
Si28 C30 1.867(3) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.539(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C41 C42 1.53(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 C2 C1 119.23(16) . . ?
C3 C2 C14 121.34(16) . . ?
C1 C2 C14 119.42(16) . . ?
C14 B2 B7 106.12(15) . . ?
C14 B2 B3 105.59(15) . . ?
B7 B2 B3 60.57(13) . . ?
C14 B2 B1 58.68(11) . . ?
B7 B2 B1 108.46(16) . . ?
B3 B2 B1 59.95(13) . . ?
C14 B2 B6 59.29(11) . . ?
B7 B2 B6 59.86(12) . . ?
B3 B2 B6 108.04(15) . . ?
B1 B2 B6 107.74(15) . . ?
C14 B2 H2 123.9 . . ?
B7 B2 H2 121.7 . . ?
B3 B2 H2 122.1 . . ?
B1 B2 H2 121.7 . . ?
B6 B2 H2 121.7 . . ?
C10 C1 C2 119.53(17) . . ?
C10 C1 H1A 120.2 . . ?
C2 C1 H1A 120.2 . . ?
C14 B1 B4 105.65(15) . . ?
C14 B1 B5 59.14(11) . . ?
B4 B1 B5 59.59(12) . . ?
C14 B1 B3 105.52(15) . . ?
B4 B1 B3 60.28(13) . . ?
B5 B1 B3 107.67(16) . . ?
C14 B1 B2 58.54(11) . . ?
B4 B1 B2 107.93(16) . . ?
B5 B1 B2 107.29(15) . . ?
B3 B1 B2 60.00(13) . . ?
C14 B1 H1 124.0 . . ?
B4 B1 H1 122.1 . . ?
B5 B1 H1 122.0 . . ?
B3 B1 H1 122.1 . . ?
B2 B1 H1 121.9 . . ?
C4 C3 C2 121.24(17) . . ?
C4 C3 H3A 119.4 . . ?
C2 C3 H3A 119.4 . . ?
B1 B3 B2 60.04(12) . . ?
B1 B3 B8 107.98(16) . . ?
B2 B3 B8 107.80(15) . . ?
B1 B3 B4 59.75(13) . . ?
B2 B3 B4 107.55(15) . . ?
B8 B3 B4 59.98(13) . . ?
B1 B3 B7 107.66(15) . . ?
B2 B3 B7 59.47(12) . . ?
B8 B3 B7 60.24(13) . . ?
B4 B3 B7 107.76(16) . . ?
B1 B3 H3 121.8 . . ?
B2 B3 H3 122.0 . . ?
B8 B3 H3 121.6 . . ?
B4 B3 H3 122.0 . . ?
B7 B3 H3 121.9 . . ?
C11 C4 C3 118.90(17) . . ?
C11 C4 H4A 120.6 . . ?
C3 C4 H4A 120.6 . . ?
B5 B4 B9 59.86(12) . . ?
B5 B4 B1 60.29(12) . . ?
B9 B4 B1 108.23(15) . . ?
B5 B4 B8 107.91(15) . . ?
B9 B4 B8 60.02(13) . . ?
B1 B4 B8 108.09(16) . . ?
B5 B4 B3 107.98(15) . . ?
B9 B4 B3 107.88(16) . . ?
B1 B4 B3 59.97(13) . . ?
B8 B4 B3 59.90(13) . . ?
B5 B4 H4 121.7 . . ?
B9 B4 H4 121.7 . . ?
B1 B4 H4 121.5 . . ?
B8 B4 H4 121.8 . . ?
B3 B4 H4 121.8 . . ?
C6 C5 C12 118.3(2) . . ?
C6 C5 H5A 120.9 . . ?
C12 C5 H5A 120.9 . . ?
C14 B5 C15 59.52(10) . . ?
C14 B5 B4 105.54(15) . . ?
C15 B5 B4 106.34(15) . . ?
C14 B5 B9 106.31(15) . . ?
C15 B5 B9 58.86(11) . . ?
B4 B5 B9 60.30(12) . . ?
C14 B5 B1 58.47(11) . . ?
C15 B5 B1 106.84(15) . . ?
B4 B5 B1 60.12(12) . . ?
B9 B5 B1 108.43(16) . . ?
C14 B5 H5 123.5 . . ?
C15 B5 H5 122.8 . . ?
B4 B5 H5 122.5 . . ?
B9 B5 H5 121.8 . . ?
B1 B5 H5 121.8 . . ?
C5 C6 C7 120.7(2) . . ?
C5 C6 H6A 119.6 . . ?
C7 C6 H6A 119.6 . . ?
C15 B6 C14 59.45(11) . . ?
C15 B6 B10 59.10(12) . . ?
C14 B6 B10 106.18(15) . . ?
C15 B6 B7 106.34(15) . . ?
C14 B6 B7 105.25(15) . . ?
B10 B6 B7 60.05(13) . . ?
C15 B6 B2 106.48(14) . . ?
C14 B6 B2 58.25(11) . . ?
B10 B6 B2 107.77(15) . . ?
B7 B6 B2 59.79(13) . . ?
C15 B6 H6 122.7 . . ?
C14 B6 H6 123.6 . . ?
B10 B6 H6 122.0 . . ?
B7 B6 H6 122.7 . . ?
B2 B6 H6 122.3 . . ?
C8 C7 C6 120.94(19) . . ?
C8 C7 H7A 119.5 . . ?
C6 C7 H7A 119.5 . . ?
B2 B7 B6 60.34(12) . . ?
B2 B7 B10 108.12(16) . . ?
B6 B7 B10 59.94(12) . . ?
B2 B7 B3 59.96(13) . . ?
B6 B7 B3 107.94(15) . . ?
B10 B7 B3 107.42(16) . . ?
B2 B7 B8 107.68(16) . . ?
B6 B7 B8 107.57(16) . . ?
B10 B7 B8 59.63(13) . . ?
B3 B7 B8 59.59(13) . . ?
B2 B7 H7 121.5 . . ?
B6 B7 H7 121.7 . . ?
B10 B7 H7 121.9 . . ?
B3 B7 H7 122.0 . . ?
B8 B7 H7 122.2 . . ?
C7 C8 C13 118.8(2) . . ?
C7 C8 H8A 120.6 . . ?
C13 C8 H8A 120.6 . . ?
B10 B8 B9 59.61(13) . . ?
B10 B8 B3 107.90(15) . . ?
B9 B8 B3 107.87(16) . . ?
B10 B8 B4 107.49(16) . . ?
B9 B8 B4 59.77(13) . . ?
B3 B8 B4 60.13(13) . . ?
B10 B8 B7 59.65(13) . . ?
B9 B8 B7 107.30(15) . . ?
B3 B8 B7 60.17(13) . . ?
B4 B8 B7 107.82(16) . . ?
B10 B8 H8 122.1 . . ?
B9 B8 H8 122.1 . . ?
B3 B8 H8 121.5 . . ?
B4 B8 H8 121.9 . . ?
B7 B8 H8 122.0 . . ?
C13 C9 C10 100.84(15) . . ?
C13 C9 C26 111.57(15) . . ?
C10 C9 C26 111.66(15) . . ?
C13 C9 C27 111.30(16) . . ?
C10 C9 C27 110.52(15) . . ?
C26 C9 C27 110.60(17) . . ?
C15 B9 B10 59.37(12) . . ?
C15 B9 B5 59.37(11) . . ?
B10 B9 B5 108.04(15) . . ?
C15 B9 B4 106.37(15) . . ?
B10 B9 B4 108.18(16) . . ?
B5 B9 B4 59.84(12) . . ?
C15 B9 B8 106.47(15) . . ?
B10 B9 B8 60.04(13) . . ?
B5 B9 B8 108.05(16) . . ?
B4 B9 B8 60.21(13) . . ?
C15 B9 H9 123.2 . . ?
B10 B9 H9 121.5 . . ?
B5 B9 H9 121.7 . . ?
B4 B9 H9 122.0 . . ?
B8 B9 H9 121.9 . . ?
C1 C10 C11 120.89(16) . . ?
C1 C10 C9 128.12(17) . . ?
C11 C10 C9 110.99(15) . . ?
C15 B10 B9 58.89(12) . . ?
C15 B10 B6 59.08(12) . . ?
B9 B10 B6 107.74(15) . . ?
C15 B10 B8 106.34(15) . . ?
B9 B10 B8 60.35(13) . . ?
B6 B10 B8 108.48(16) . . ?
C15 B10 B7 106.30(15) . . ?
B9 B10 B7 108.74(16) . . ?
B6 B10 B7 60.01(12) . . ?
B8 B10 B7 60.72(13) . . ?
C15 B10 H10 123.7 . . ?
B9 B10 H10 121.5 . . ?
B6 B10 H10 121.7 . . ?
B8 B10 H10 121.5 . . ?
B7 B10 H10 121.6 . . ?
C4 C11 C10 120.21(16) . . ?
C4 C11 C12 131.38(17) . . ?
C10 C11 C12 108.40(16) . . ?
C13 C12 C5 121.09(17) . . ?
C13 C12 C11 108.11(16) . . ?
C5 C12 C11 130.79(18) . . ?
C8 C13 C12 120.19(18) . . ?
C8 C13 C9 128.20(18) . . ?
C12 C13 C9 111.60(15) . . ?
C2 C14 B2 119.67(15) . . ?
C2 C14 B1 120.46(15) . . ?
B2 C14 B1 62.78(12) . . ?
C2 C14 C15 119.83(14) . . ?
B2 C14 C15 110.42(14) . . ?
B1 C14 C15 110.60(13) . . ?
C2 C14 B5 119.28(15) . . ?
B2 C14 B5 113.33(14) . . ?
B1 C14 B5 62.39(12) . . ?
C15 C14 B5 60.30(11) . . ?
C2 C14 B6 117.67(14) . . ?
B2 C14 B6 62.45(12) . . ?
B1 C14 B6 113.61(15) . . ?
C15 C14 B6 60.18(11) . . ?
B5 C14 B6 111.52(14) . . ?
C14 C15 B9 109.13(13) . . ?
C14 C15 B6 60.36(11) . . ?
B9 C15 B6 112.28(15) . . ?
C14 C15 B10 109.03(14) . . ?
B9 C15 B10 61.74(12) . . ?
B6 C15 B10 61.82(12) . . ?
C14 C15 B5 60.18(10) . . ?
B9 C15 B5 61.77(12) . . ?
B6 C15 B5 111.57(14) . . ?
B10 C15 B5 111.90(14) . . ?
C14 C15 Si28 121.74(11) . . ?
B9 C15 Si28 119.86(12) . . ?
B6 C15 Si28 119.37(12) . . ?
B10 C15 Si28 120.55(12) . . ?
B5 C15 Si28 118.82(13) . . ?
C9 C26 H26A 109.5 . . ?
C9 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C9 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C9 C27 H27A 109.5 . . ?
C9 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C9 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C41 Si28 C29 121.4(8) . . ?
C29 Si28 C31 106.7(3) . . ?
C41 Si28 C30 98.9(8) . . ?
C29 Si28 C30 109.78(13) . . ?
C31 Si28 C30 112.8(3) . . ?
C41 Si28 C15 105.5(7) . . ?
C29 Si28 C15 111.79(9) . . ?
C31 Si28 C15 107.5(2) . . ?
C30 Si28 C15 108.31(10) . . ?
Si28 C29 H29A 109.5 . . ?
Si28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si28 C30 H30A 109.5 . . ?
Si28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Si28 115.6(3) . . ?
C32 C31 H31A 108.4 . . ?
Si28 C31 H31A 108.4 . . ?
C32 C31 H31B 108.4 . . ?
Si28 C31 H31B 108.4 . . ?
H31A C31 H31B 107.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C42 C41 Si28 111.2(12) . . ?
C42 C41 H41A 109.4 . . ?
Si28 C41 H41A 109.4 . . ?
C42 C41 H41B 109.4 . . ?
Si28 C41 H41B 109.4 . . ?
H41A C41 H41B 108.0 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

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
C3 C2 C1 C10 -0.3(3) . . . . ?
C14 C2 C1 C10 -179.20(16) . . . . ?
B7 B2 B1 C14 -98.02(16) . . . . ?
B3 B2 B1 C14 -135.68(16) . . . . ?
B6 B2 B1 C14 -34.69(13) . . . . ?
C14 B2 B1 B4 97.73(16) . . . . ?
B7 B2 B1 B4 -0.3(2) . . . . ?
B3 B2 B1 B4 -37.95(15) . . . . ?
B6 B2 B1 B4 63.04(18) . . . . ?
C14 B2 B1 B5 34.89(13) . . . . ?
B7 B2 B1 B5 -63.13(19) . . . . ?
B3 B2 B1 B5 -100.79(17) . . . . ?
B6 B2 B1 B5 0.2(2) . . . . ?
C14 B2 B1 B3 135.68(16) . . . . ?
B7 B2 B1 B3 37.66(15) . . . . ?
B6 B2 B1 B3 100.99(16) . . . . ?
C1 C2 C3 C4 0.3(3) . . . . ?
C14 C2 C3 C4 179.13(16) . . . . ?
C14 B1 B3 B2 38.21(14) . . . . ?
B4 B1 B3 B2 137.64(16) . . . . ?
B5 B1 B3 B2 100.16(16) . . . . ?
C14 B1 B3 B8 -62.39(19) . . . . ?
B4 B1 B3 B8 37.04(15) . . . . ?
B5 B1 B3 B8 -0.4(2) . . . . ?
B2 B1 B3 B8 -100.60(17) . . . . ?
C14 B1 B3 B4 -99.43(16) . . . . ?
B5 B1 B3 B4 -37.48(14) . . . . ?
B2 B1 B3 B4 -137.64(16) . . . . ?
C14 B1 B3 B7 1.2(2) . . . . ?
B4 B1 B3 B7 100.66(17) . . . . ?
B5 B1 B3 B7 63.18(19) . . . . ?
B2 B1 B3 B7 -36.98(15) . . . . ?
C14 B2 B3 B1 -38.29(14) . . . . ?
B7 B2 B3 B1 -138.28(16) . . . . ?
B6 B2 B3 B1 -100.47(16) . . . . ?
C14 B2 B3 B8 62.61(19) . . . . ?
B7 B2 B3 B8 -37.38(16) . . . . ?
B1 B2 B3 B8 100.90(17) . . . . ?
B6 B2 B3 B8 0.4(2) . . . . ?
C14 B2 B3 B4 -0.7(2) . . . . ?
B7 B2 B3 B4 -100.66(18) . . . . ?
B1 B2 B3 B4 37.62(15) . . . . ?
B6 B2 B3 B4 -62.8(2) . . . . ?
C14 B2 B3 B7 99.99(16) . . . . ?
B1 B2 B3 B7 138.28(16) . . . . ?
B6 B2 B3 B7 37.81(15) . . . . ?
C2 C3 C4 C11 -0.6(3) . . . . ?
C14 B1 B4 B5 -38.55(14) . . . . ?
B3 B1 B4 B5 -137.76(16) . . . . ?
B2 B1 B4 B5 -99.92(16) . . . . ?
C14 B1 B4 B9 -1.3(2) . . . . ?
B5 B1 B4 B9 37.21(15) . . . . ?
B3 B1 B4 B9 -100.55(17) . . . . ?
B2 B1 B4 B9 -62.7(2) . . . . ?
C14 B1 B4 B8 62.18(19) . . . . ?
B5 B1 B4 B8 100.73(16) . . . . ?
B3 B1 B4 B8 -37.03(15) . . . . ?
B2 B1 B4 B8 0.8(2) . . . . ?
C14 B1 B4 B3 99.21(16) . . . . ?
B5 B1 B4 B3 137.76(16) . . . . ?
B2 B1 B4 B3 37.83(15) . . . . ?
B1 B3 B4 B5 37.87(14) . . . . ?
B2 B3 B4 B5 0.1(2) . . . . ?
B8 B3 B4 B5 -100.70(17) . . . . ?
B7 B3 B4 B5 -62.61(19) . . . . ?
B1 B3 B4 B9 101.14(16) . . . . ?
B2 B3 B4 B9 63.38(19) . . . . ?
B8 B3 B4 B9 -37.43(14) . . . . ?
B7 B3 B4 B9 0.7(2) . . . . ?
B2 B3 B4 B1 -37.75(15) . . . . ?
B8 B3 B4 B1 -138.57(16) . . . . ?
B7 B3 B4 B1 -100.49(16) . . . . ?
B1 B3 B4 B8 138.57(16) . . . . ?
B2 B3 B4 B8 100.82(17) . . . . ?
B7 B3 B4 B8 38.08(15) . . . . ?
B9 B4 B5 C14 -100.19(15) . . . . ?
B1 B4 B5 C14 38.20(13) . . . . ?
B8 B4 B5 C14 -62.83(18) . . . . ?
B3 B4 B5 C14 0.5(2) . . . . ?
B9 B4 B5 C15 -38.03(14) . . . . ?
B1 B4 B5 C15 100.35(15) . . . . ?
B8 B4 B5 C15 -0.7(2) . . . . ?
B3 B4 B5 C15 62.62(19) . . . . ?
B1 B4 B5 B9 138.39(16) . . . . ?
B8 B4 B5 B9 37.35(15) . . . . ?
B3 B4 B5 B9 100.66(17) . . . . ?
B9 B4 B5 B1 -138.39(16) . . . . ?
B8 B4 B5 B1 -101.03(17) . . . . ?
B3 B4 B5 B1 -37.73(15) . . . . ?
B4 B1 B5 C14 -135.65(16) . . . . ?
B3 B1 B5 C14 -97.87(16) . . . . ?
B2 B1 B5 C14 -34.63(13) . . . . ?
C14 B1 B5 C15 36.15(13) . . . . ?
B4 B1 B5 C15 -99.50(16) . . . . ?
B3 B1 B5 C15 -61.72(18) . . . . ?
B2 B1 B5 C15 1.52(19) . . . . ?
C14 B1 B5 B4 135.65(16) . . . . ?
B3 B1 B5 B4 37.79(15) . . . . ?
B2 B1 B5 B4 101.02(17) . . . . ?
C14 B1 B5 B9 98.21(15) . . . . ?
B4 B1 B5 B9 -37.45(14) . . . . ?
B3 B1 B5 B9 0.34(19) . . . . ?
B2 B1 B5 B9 63.57(18) . . . . ?
C12 C5 C6 C7 0.7(3) . . . . ?
C14 B2 B6 C15 -36.27(13) . . . . ?
B7 B2 B6 C15 99.64(16) . . . . ?
B3 B2 B6 C15 61.51(18) . . . . ?
B1 B2 B6 C15 -1.83(19) . . . . ?
B7 B2 B6 C14 135.90(15) . . . . ?
B3 B2 B6 C14 97.78(16) . . . . ?
B1 B2 B6 C14 34.44(13) . . . . ?
C14 B2 B6 B10 -98.39(16) . . . . ?
B7 B2 B6 B10 37.52(15) . . . . ?
B3 B2 B6 B10 -0.6(2) . . . . ?
B1 B2 B6 B10 -63.95(19) . . . . ?
C14 B2 B6 B7 -135.90(16) . . . . ?
B3 B2 B6 B7 -38.13(15) . . . . ?
B1 B2 B6 B7 -101.47(17) . . . . ?
C5 C6 C7 C8 -0.7(3) . . . . ?
C14 B2 B7 B6 38.52(14) . . . . ?
B3 B2 B7 B6 137.62(16) . . . . ?
B1 B2 B7 B6 100.23(16) . . . . ?
C14 B2 B7 B10 1.0(2) . . . . ?
B3 B2 B7 B10 100.06(17) . . . . ?
B1 B2 B7 B10 62.67(19) . . . . ?
B6 B2 B7 B10 -37.56(15) . . . . ?
C14 B2 B7 B3 -99.10(16) . . . . ?
B1 B2 B7 B3 -37.39(15) . . . . ?
B6 B2 B7 B3 -137.62(16) . . . . ?
C14 B2 B7 B8 -62.04(19) . . . . ?
B3 B2 B7 B8 37.06(15) . . . . ?
B1 B2 B7 B8 -0.3(2) . . . . ?
B6 B2 B7 B8 -100.56(17) . . . . ?
C15 B6 B7 B2 -99.86(15) . . . . ?
C14 B6 B7 B2 -37.83(14) . . . . ?
B10 B6 B7 B2 -137.99(16) . . . . ?
C15 B6 B7 B10 38.12(14) . . . . ?
C14 B6 B7 B10 100.15(16) . . . . ?
B2 B6 B7 B10 137.99(16) . . . . ?
C15 B6 B7 B3 -62.03(19) . . . . ?
C14 B6 B7 B3 0.0(2) . . . . ?
B10 B6 B7 B3 -100.16(17) . . . . ?
B2 B6 B7 B3 37.83(15) . . . . ?
C15 B6 B7 B8 0.9(2) . . . . ?
C14 B6 B7 B8 62.90(18) . . . . ?
B10 B6 B7 B8 -37.26(15) . . . . ?
B2 B6 B7 B8 100.73(17) . . . . ?
B1 B3 B7 B2 37.23(15) . . . . ?
B8 B3 B7 B2 138.25(17) . . . . ?
B4 B3 B7 B2 100.29(17) . . . . ?
B1 B3 B7 B6 -0.8(2) . . . . ?
B2 B3 B7 B6 -38.00(15) . . . . ?
B8 B3 B7 B6 100.25(17) . . . . ?
B4 B3 B7 B6 62.3(2) . . . . ?
B1 B3 B7 B10 -64.01(19) . . . . ?
B2 B3 B7 B10 -101.25(16) . . . . ?
B8 B3 B7 B10 37.01(15) . . . . ?
B4 B3 B7 B10 -1.0(2) . . . . ?
B1 B3 B7 B8 -101.02(17) . . . . ?
B2 B3 B7 B8 -138.25(17) . . . . ?
B4 B3 B7 B8 -37.96(15) . . . . ?
C6 C7 C8 C13 0.0(3) . . . . ?
B1 B3 B8 B10 63.4(2) . . . . ?
B2 B3 B8 B10 -0.1(2) . . . . ?
B4 B3 B8 B10 100.29(17) . . . . ?
B7 B3 B8 B10 -37.13(15) . . . . ?
B1 B3 B8 B9 0.4(2) . . . . ?
B2 B3 B8 B9 -63.1(2) . . . . ?
B4 B3 B8 B9 37.32(14) . . . . ?
B7 B3 B8 B9 -100.10(16) . . . . ?
B1 B3 B8 B4 -36.94(14) . . . . ?
B2 B3 B8 B4 -100.38(17) . . . . ?
B7 B3 B8 B4 -137.42(16) . . . . ?
B1 B3 B8 B7 100.48(17) . . . . ?
B2 B3 B8 B7 37.04(15) . . . . ?
B4 B3 B8 B7 137.42(16) . . . . ?
B5 B4 B8 B10 -0.2(2) . . . . ?
B9 B4 B8 B10 37.11(15) . . . . ?
B1 B4 B8 B10 -63.9(2) . . . . ?
B3 B4 B8 B10 -100.99(17) . . . . ?
B5 B4 B8 B9 -37.28(14) . . . . ?
B1 B4 B8 B9 -101.04(16) . . . . ?
B3 B4 B8 B9 -138.10(16) . . . . ?
B5 B4 B8 B3 100.81(17) . . . . ?
B9 B4 B8 B3 138.10(16) . . . . ?
B1 B4 B8 B3 37.06(15) . . . . ?
B5 B4 B8 B7 62.7(2) . . . . ?
B9 B4 B8 B7 100.03(16) . . . . ?
B1 B4 B8 B7 -1.0(2) . . . . ?
B3 B4 B8 B7 -38.07(15) . . . . ?
B2 B7 B8 B10 101.04(17) . . . . ?
B6 B7 B8 B10 37.39(15) . . . . ?
B3 B7 B8 B10 138.27(17) . . . . ?
B2 B7 B8 B9 63.8(2) . . . . ?
B6 B7 B8 B9 0.2(2) . . . . ?
B10 B7 B8 B9 -37.21(15) . . . . ?
B3 B7 B8 B9 101.06(17) . . . . ?
B2 B7 B8 B3 -37.23(15) . . . . ?
B6 B7 B8 B3 -100.88(17) . . . . ?
B10 B7 B8 B3 -138.27(17) . . . . ?
B2 B7 B8 B4 0.8(2) . . . . ?
B6 B7 B8 B4 -62.83(19) . . . . ?
B10 B7 B8 B4 -100.22(17) . . . . ?
B3 B7 B8 B4 38.05(15) . . . . ?
C14 B5 B9 C15 -37.42(13) . . . . ?
B4 B5 B9 C15 -136.31(16) . . . . ?
B1 B5 B9 C15 -98.94(15) . . . . ?
C14 B5 B9 B10 -2.08(19) . . . . ?
C15 B5 B9 B10 35.34(14) . . . . ?
B4 B5 B9 B10 -100.97(17) . . . . ?
B1 B5 B9 B10 -63.60(18) . . . . ?
C14 B5 B9 B4 98.89(16) . . . . ?
C15 B5 B9 B4 136.31(16) . . . . ?
B1 B5 B9 B4 37.37(14) . . . . ?
C14 B5 B9 B8 61.42(18) . . . . ?
C15 B5 B9 B8 98.84(16) . . . . ?
B4 B5 B9 B8 -37.47(15) . . . . ?
B1 B5 B9 B8 -0.10(19) . . . . ?
B5 B4 B9 C15 38.28(14) . . . . ?
B1 B4 B9 C15 0.9(2) . . . . ?
B8 B4 B9 C15 -99.92(17) . . . . ?
B3 B4 B9 C15 -62.54(19) . . . . ?
B5 B4 B9 B10 100.73(16) . . . . ?
B1 B4 B9 B10 63.34(19) . . . . ?
B8 B4 B9 B10 -37.47(15) . . . . ?
B3 B4 B9 B10 -0.1(2) . . . . ?
B1 B4 B9 B5 -37.39(15) . . . . ?
B8 B4 B9 B5 -138.20(16) . . . . ?
B3 B4 B9 B5 -100.82(17) . . . . ?
B5 B4 B9 B8 138.20(16) . . . . ?
B1 B4 B9 B8 100.81(17) . . . . ?
B3 B4 B9 B8 37.38(15) . . . . ?
B10 B8 B9 C15 -38.40(14) . . . . ?
B3 B8 B9 C15 62.28(19) . . . . ?
B4 B8 B9 C15 99.76(16) . . . . ?
B7 B8 B9 C15 -1.2(2) . . . . ?
B3 B8 B9 B10 100.68(17) . . . . ?
B4 B8 B9 B10 138.15(16) . . . . ?
B7 B8 B9 B10 37.23(15) . . . . ?
B10 B8 B9 B5 -100.85(16) . . . . ?
B3 B8 B9 B5 -0.2(2) . . . . ?
B4 B8 B9 B5 37.31(14) . . . . ?
B7 B8 B9 B5 -63.62(19) . . . . ?
B10 B8 B9 B4 -138.15(16) . . . . ?
B3 B8 B9 B4 -37.48(15) . . . . ?
B7 B8 B9 B4 -100.93(17) . . . . ?
C2 C1 C10 C11 0.7(3) . . . . ?
C2 C1 C10 C9 -178.87(16) . . . . ?
C13 C9 C10 C1 -178.38(17) . . . . ?
C26 C9 C10 C1 -59.8(2) . . . . ?
C27 C9 C10 C1 63.8(2) . . . . ?
C13 C9 C10 C11 1.99(18) . . . . ?
C26 C9 C10 C11 120.60(18) . . . . ?
C27 C9 C10 C11 -115.83(18) . . . . ?
B5 B9 B10 C15 -35.34(13) . . . . ?
B4 B9 B10 C15 -98.65(16) . . . . ?
B8 B9 B10 C15 -136.19(16) . . . . ?
C15 B9 B10 B6 34.60(14) . . . . ?
B5 B9 B10 B6 -0.7(2) . . . . ?
B4 B9 B10 B6 -64.04(19) . . . . ?
B8 B9 B10 B6 -101.59(17) . . . . ?
C15 B9 B10 B8 136.19(16) . . . . ?
B5 B9 B10 B8 100.85(17) . . . . ?
B4 B9 B10 B8 37.55(15) . . . . ?
C15 B9 B10 B7 98.14(16) . . . . ?
B5 B9 B10 B7 62.79(19) . . . . ?
B4 B9 B10 B7 -0.5(2) . . . . ?
B8 B9 B10 B7 -38.06(15) . . . . ?
C14 B6 B10 C15 37.77(13) . . . . ?
B7 B6 B10 C15 136.34(16) . . . . ?
B2 B6 B10 C15 98.94(15) . . . . ?
C15 B6 B10 B9 -34.52(14) . . . . ?
C14 B6 B10 B9 3.2(2) . . . . ?
B7 B6 B10 B9 101.81(17) . . . . ?
B2 B6 B10 B9 64.41(19) . . . . ?
C15 B6 B10 B8 -98.38(17) . . . . ?
C14 B6 B10 B8 -60.6(2) . . . . ?
B7 B6 B10 B8 37.96(16) . . . . ?
B2 B6 B10 B8 0.6(2) . . . . ?
C15 B6 B10 B7 -136.34(16) . . . . ?
C14 B6 B10 B7 -98.56(16) . . . . ?
B2 B6 B10 B7 -37.40(15) . . . . ?
B9 B8 B10 C15 38.14(14) . . . . ?
B3 B8 B10 C15 -62.5(2) . . . . ?
B4 B8 B10 C15 1.0(2) . . . . ?
B7 B8 B10 C15 -99.84(16) . . . . ?
B3 B8 B10 B9 -100.63(17) . . . . ?
B4 B8 B10 B9 -37.18(15) . . . . ?
B7 B8 B10 B9 -137.98(16) . . . . ?
B9 B8 B10 B6 100.33(17) . . . . ?
B3 B8 B10 B6 -0.3(2) . . . . ?
B4 B8 B10 B6 63.2(2) . . . . ?
B7 B8 B10 B6 -37.65(15) . . . . ?
B9 B8 B10 B7 137.98(16) . . . . ?
B3 B8 B10 B7 37.36(15) . . . . ?
B4 B8 B10 B7 100.80(17) . . . . ?
B2 B7 B10 C15 -0.4(2) . . . . ?
B6 B7 B10 C15 -38.11(14) . . . . ?
B3 B7 B10 C15 62.92(18) . . . . ?
B8 B7 B10 C15 99.91(16) . . . . ?
B2 B7 B10 B9 -62.39(19) . . . . ?
B6 B7 B10 B9 -100.12(16) . . . . ?
B3 B7 B10 B9 0.9(2) . . . . ?
B8 B7 B10 B9 37.90(15) . . . . ?
B2 B7 B10 B6 37.73(14) . . . . ?
B3 B7 B10 B6 101.03(16) . . . . ?
B8 B7 B10 B6 138.02(16) . . . . ?
B2 B7 B10 B8 -100.29(17) . . . . ?
B6 B7 B10 B8 -138.02(16) . . . . ?
B3 B7 B10 B8 -36.99(15) . . . . ?
C3 C4 C11 C10 1.0(3) . . . . ?
C3 C4 C11 C12 -177.65(18) . . . . ?
C1 C10 C11 C4 -1.1(3) . . . . ?
C9 C10 C11 C4 178.59(15) . . . . ?
C1 C10 C11 C12 177.86(15) . . . . ?
C9 C10 C11 C12 -2.5(2) . . . . ?
C6 C5 C12 C13 0.1(3) . . . . ?
C6 C5 C12 C11 178.61(18) . . . . ?
C4 C11 C12 C13 -179.30(18) . . . . ?
C10 C11 C12 C13 1.9(2) . . . . ?
C4 C11 C12 C5 2.0(3) . . . . ?
C10 C11 C12 C5 -176.74(18) . . . . ?
C7 C8 C13 C12 0.8(3) . . . . ?
C7 C8 C13 C9 -178.07(18) . . . . ?
C5 C12 C13 C8 -0.8(3) . . . . ?
C11 C12 C13 C8 -179.64(16) . . . . ?
C5 C12 C13 C9 178.19(16) . . . . ?
C11 C12 C13 C9 -0.6(2) . . . . ?
C10 C9 C13 C8 178.15(18) . . . . ?
C26 C9 C13 C8 59.5(2) . . . . ?
C27 C9 C13 C8 -64.6(2) . . . . ?
C10 C9 C13 C12 -0.77(19) . . . . ?
C26 C9 C13 C12 -119.45(17) . . . . ?
C27 C9 C13 C12 116.48(18) . . . . ?
C3 C2 C14 B2 -139.02(18) . . . . ?
C1 C2 C14 B2 39.8(2) . . . . ?
C3 C2 C14 B1 -65.0(2) . . . . ?
C1 C2 C14 B1 113.82(19) . . . . ?
C3 C2 C14 C15 78.9(2) . . . . ?
C1 C2 C14 C15 -102.31(19) . . . . ?
C3 C2 C14 B5 8.3(2) . . . . ?
C1 C2 C14 B5 -172.84(15) . . . . ?
C3 C2 C14 B6 148.58(17) . . . . ?
C1 C2 C14 B6 -32.6(2) . . . . ?
B7 B2 C14 C2 -146.58(15) . . . . ?
B3 B2 C14 C2 150.18(16) . . . . ?
B1 B2 C14 C2 111.29(17) . . . . ?
B6 B2 C14 C2 -107.80(17) . . . . ?
B7 B2 C14 B1 102.12(16) . . . . ?
B3 B2 C14 B1 38.89(15) . . . . ?
B6 B2 C14 B1 140.91(15) . . . . ?
B7 B2 C14 C15 -1.21(19) . . . . ?
B3 B2 C14 C15 -64.45(17) . . . . ?
B1 B2 C14 C15 -103.34(15) . . . . ?
B6 B2 C14 C15 37.57(13) . . . . ?
B7 B2 C14 B5 64.25(18) . . . . ?
B3 B2 C14 B5 1.0(2) . . . . ?
B1 B2 C14 B5 -37.87(15) . . . . ?
B6 B2 C14 B5 103.04(15) . . . . ?
B7 B2 C14 B6 -38.79(14) . . . . ?
B3 B2 C14 B6 -102.02(16) . . . . ?
B1 B2 C14 B6 -140.91(15) . . . . ?
B4 B1 C14 C2 148.19(16) . . . . ?
B5 B1 C14 C2 109.43(18) . . . . ?
B3 B1 C14 C2 -148.98(16) . . . . ?
B2 B1 C14 C2 -110.07(18) . . . . ?
B4 B1 C14 B2 -101.74(17) . . . . ?
B5 B1 C14 B2 -140.49(15) . . . . ?
B3 B1 C14 B2 -38.90(14) . . . . ?
B4 B1 C14 C15 1.3(2) . . . . ?
B5 B1 C14 C15 -37.44(14) . . . . ?
B3 B1 C14 C15 64.15(18) . . . . ?
B2 B1 C14 C15 103.05(15) . . . . ?
B4 B1 C14 B5 38.76(14) . . . . ?
B3 B1 C14 B5 101.59(16) . . . . ?
B2 B1 C14 B5 140.49(15) . . . . ?
B4 B1 C14 B6 -64.14(19) . . . . ?
B5 B1 C14 B6 -102.90(16) . . . . ?
B3 B1 C14 B6 -1.3(2) . . . . ?
B2 B1 C14 B6 37.60(15) . . . . ?
C15 B5 C14 C2 109.67(16) . . . . ?
B4 B5 C14 C2 -150.24(15) . . . . ?
B9 B5 C14 C2 146.79(15) . . . . ?
B1 B5 C14 C2 -111.26(17) . . . . ?
C15 B5 C14 B2 -101.04(15) . . . . ?
B4 B5 C14 B2 -0.95(19) . . . . ?
B9 B5 C14 B2 -63.92(18) . . . . ?
B1 B5 C14 B2 38.03(15) . . . . ?
C15 B5 C14 B1 -139.07(15) . . . . ?
B4 B5 C14 B1 -38.98(14) . . . . ?
B9 B5 C14 B1 -101.95(16) . . . . ?
B4 B5 C14 C15 100.09(15) . . . . ?
B9 B5 C14 C15 37.12(13) . . . . ?
B1 B5 C14 C15 139.07(15) . . . . ?
C15 B5 C14 B6 -32.83(14) . . . . ?
B4 B5 C14 B6 67.25(17) . . . . ?
B9 B5 C14 B6 4.29(19) . . . . ?
B1 B5 C14 B6 106.24(16) . . . . ?
C15 B6 C14 C2 -110.29(16) . . . . ?
B10 B6 C14 C2 -147.90(16) . . . . ?
B7 B6 C14 C2 149.47(16) . . . . ?
B2 B6 C14 C2 110.91(17) . . . . ?
C15 B6 C14 B2 138.80(14) . . . . ?
B10 B6 C14 B2 101.19(16) . . . . ?
B7 B6 C14 B2 38.56(14) . . . . ?
C15 B6 C14 B1 101.07(15) . . . . ?
B10 B6 C14 B1 63.47(19) . . . . ?
B7 B6 C14 B1 0.8(2) . . . . ?
B2 B6 C14 B1 -37.73(15) . . . . ?
B10 B6 C14 C15 -37.61(13) . . . . ?
B7 B6 C14 C15 -100.24(15) . . . . ?
B2 B6 C14 C15 -138.80(14) . . . . ?
C15 B6 C14 B5 32.87(13) . . . . ?
B10 B6 C14 B5 -4.73(19) . . . . ?
B7 B6 C14 B5 -67.37(18) . . . . ?
B2 B6 C14 B5 -105.93(15) . . . . ?
C2 C14 C15 B9 -147.91(16) . . . . ?
B2 C14 C15 B9 66.78(18) . . . . ?
B1 C14 C15 B9 -0.80(19) . . . . ?
B5 C14 C15 B9 -39.13(14) . . . . ?
B6 C14 C15 B9 105.33(16) . . . . ?
C2 C14 C15 B6 106.76(17) . . . . ?
B2 C14 C15 B6 -38.55(14) . . . . ?
B1 C14 C15 B6 -106.12(16) . . . . ?
B5 C14 C15 B6 -144.46(15) . . . . ?
C2 C14 C15 B10 146.32(15) . . . . ?
B2 C14 C15 B10 1.01(18) . . . . ?
B1 C14 C15 B10 -66.56(18) . . . . ?
B5 C14 C15 B10 -104.89(15) . . . . ?
B6 C14 C15 B10 39.56(14) . . . . ?
C2 C14 C15 B5 -108.78(17) . . . . ?
B2 C14 C15 B5 105.91(15) . . . . ?
B1 C14 C15 B5 38.33(14) . . . . ?
B6 C14 C15 B5 144.46(15) . . . . ?
C2 C14 C15 Si28 -1.4(2) . . . . ?
B2 C14 C15 Si28 -146.70(13) . . . . ?
B1 C14 C15 Si28 145.72(13) . . . . ?
B5 C14 C15 Si28 107.39(15) . . . . ?
B6 C14 C15 Si28 -108.16(15) . . . . ?
B10 B9 C15 C14 -101.85(15) . . . . ?
B5 B9 C15 C14 38.42(14) . . . . ?
B4 B9 C15 C14 -0.1(2) . . . . ?
B8 B9 C15 C14 -63.14(18) . . . . ?
B10 B9 C15 B6 -36.91(15) . . . . ?
B5 B9 C15 B6 103.36(16) . . . . ?
B4 B9 C15 B6 64.86(19) . . . . ?
B8 B9 C15 B6 1.8(2) . . . . ?
B5 B9 C15 B10 140.27(16) . . . . ?
B4 B9 C15 B10 101.77(17) . . . . ?
B8 B9 C15 B10 38.71(15) . . . . ?
B10 B9 C15 B5 -140.27(16) . . . . ?
B4 B9 C15 B5 -38.50(15) . . . . ?
B8 B9 C15 B5 -101.56(17) . . . . ?
B10 B9 C15 Si28 110.90(15) . . . . ?
B5 B9 C15 Si28 -108.83(15) . . . . ?
B4 B9 C15 Si28 -147.32(13) . . . . ?
B8 B9 C15 Si28 149.62(14) . . . . ?
B10 B6 C15 C14 136.92(14) . . . . ?
B7 B6 C15 C14 98.35(15) . . . . ?
B2 B6 C15 C14 35.74(13) . . . . ?
C14 B6 C15 B9 -100.04(15) . . . . ?
B10 B6 C15 B9 36.88(15) . . . . ?
B7 B6 C15 B9 -1.68(19) . . . . ?
B2 B6 C15 B9 -64.30(18) . . . . ?
C14 B6 C15 B10 -136.92(14) . . . . ?
B7 B6 C15 B10 -38.56(14) . . . . ?
B2 B6 C15 B10 -101.18(16) . . . . ?
C14 B6 C15 B5 -32.84(13) . . . . ?
B10 B6 C15 B5 104.07(15) . . . . ?
B7 B6 C15 B5 65.51(18) . . . . ?
B2 B6 C15 B5 2.90(19) . . . . ?
C14 B6 C15 Si28 111.98(14) . . . . ?
B10 B6 C15 Si28 -111.11(15) . . . . ?
B7 B6 C15 Si28 -149.67(13) . . . . ?
B2 B6 C15 Si28 147.72(13) . . . . ?
B9 B10 C15 C14 102.01(15) . . . . ?
B6 B10 C15 C14 -38.90(13) . . . . ?
B8 B10 C15 C14 63.19(18) . . . . ?
B7 B10 C15 C14 -0.37(18) . . . . ?
B6 B10 C15 B9 -140.91(15) . . . . ?
B8 B10 C15 B9 -38.82(15) . . . . ?
B7 B10 C15 B9 -102.38(16) . . . . ?
B9 B10 C15 B6 140.91(15) . . . . ?
B8 B10 C15 B6 102.09(17) . . . . ?
B7 B10 C15 B6 38.54(14) . . . . ?
B9 B10 C15 B5 37.37(15) . . . . ?
B6 B10 C15 B5 -103.54(16) . . . . ?
B8 B10 C15 B5 -1.5(2) . . . . ?
B7 B10 C15 B5 -65.01(18) . . . . ?
B9 B10 C15 Si28 -109.82(15) . . . . ?
B6 B10 C15 Si28 109.27(15) . . . . ?
B8 B10 C15 Si28 -148.64(13) . . . . ?
B7 B10 C15 Si28 147.80(13) . . . . ?
B4 B5 C15 C14 -98.71(15) . . . . ?
B9 B5 C15 C14 -137.41(15) . . . . ?
B1 B5 C15 C14 -35.69(13) . . . . ?
C14 B5 C15 B9 137.41(15) . . . . ?
B4 B5 C15 B9 38.70(14) . . . . ?
B1 B5 C15 B9 101.72(16) . . . . ?
C14 B5 C15 B6 32.91(13) . . . . ?
B4 B5 C15 B6 -65.80(18) . . . . ?
B9 B5 C15 B6 -104.50(16) . . . . ?
B1 B5 C15 B6 -2.78(19) . . . . ?
C14 B5 C15 B10 100.06(16) . . . . ?
B4 B5 C15 B10 1.3(2) . . . . ?
B9 B5 C15 B10 -37.36(15) . . . . ?
B1 B5 C15 B10 64.36(18) . . . . ?
C14 B5 C15 Si28 -112.13(13) . . . . ?
B4 B5 C15 Si28 149.16(13) . . . . ?
B9 B5 C15 Si28 110.46(14) . . . . ?
B1 B5 C15 Si28 -147.82(12) . . . . ?
C29 Si28 C31 C32 37.6(5) . . . . ?
C30 Si28 C31 C32 158.2(4) . . . . ?
C15 Si28 C31 C32 -82.5(4) . . . . ?
C29 Si28 C41 C42 39.6(17) . . . . ?
C30 Si28 C41 C42 159.4(13) . . . . ?
C15 Si28 C41 C42 -88.7(14) . . . . ?

_refine_diff_density_max         0.587
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.045



####################################################################### 
# 
# 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_4CE
_audit_block_doi                 10.5517/ccdc.csd.cc2l61yt
_database_code_depnum_ccdc_archive 'CCDC 2389106'
loop_
_audit_author_name
_audit_author_address
'Kang Mun Lee'
;Kangwon National University
South Korea
;
_audit_update_record             
;
2024-10-07 deposited with the CCDC.	2024-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H38 B10 Si'
_chemical_formula_sum            'C23 H38 B10 Si'
_chemical_formula_weight         450.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.0532(6)
_cell_length_b                   13.0146(6)
_cell_length_c                   19.2255(9)
_cell_angle_alpha                95.7529(18)
_cell_angle_beta                 90.2216(19)
_cell_angle_gamma                105.5694(16)
_cell_volume                     2649.4(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    203(2)
_cell_measurement_reflns_used    9016
_cell_measurement_theta_min      2.82
_cell_measurement_theta_max      25.53

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_F_000             960
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.083
_exptl_crystal_size_mid          0.061
_exptl_crystal_size_min          0.032
_exptl_absorpt_coefficient_mu    0.100
_shelx_estimated_absorpt_T_min   0.992
_shelx_estimated_absorpt_T_max   0.997
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6893
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      203(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Ius 3.0 microfocus source'
_diffrn_measurement_device_type  'PHOTON II CPAD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49407
_diffrn_reflns_av_unetI/netI     0.0806
_diffrn_reflns_av_R_equivalents  0.1150
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.452
_diffrn_reflns_theta_max         25.583
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9913
_reflns_number_gt                6003
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX5 software'
_computing_cell_refinement       'Bruker APEX5 software'
_computing_data_reduction        'Bruker APEX5 software'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0447P)²+1.1797P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9913
_refine_ls_number_parameters     663
_refine_ls_number_restraints     128
_refine_ls_R_factor_all          0.1236
_refine_ls_R_factor_gt           0.0649
_refine_ls_wR_factor_ref         0.1526
_refine_ls_wR_factor_gt          0.1260
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C2 C 0.3305(3) 0.5999(2) 0.89280(14) 0.0306(6) Uani 1 1 d . . . . .
B2 B 0.4416(3) 0.8186(3) 0.92230(17) 0.0347(7) Uani 1 1 d . . . . .
H2 H 0.360968 0.836396 0.951583 0.042 Uiso 1 1 calc R U . . .
C1 C 0.2104(2) 0.6016(2) 0.87075(14) 0.0311(6) Uani 1 1 d . . . . .
H1A H 0.199019 0.661942 0.850265 0.037 Uiso 1 1 calc R U . . .
B1 B 0.5397(3) 0.7468(3) 0.95740(18) 0.0374(8) Uani 1 1 d . . . . .
H1 H 0.524027 0.716896 1.010153 0.045 Uiso 1 1 calc R U . . .
C3 C 0.3443(3) 0.5126(2) 0.92583(15) 0.0351(7) Uani 1 1 d . . . . .
H3A H 0.425403 0.512022 0.942080 0.042 Uiso 1 1 calc R U . . .
B3 B 0.6008(3) 0.8852(3) 0.94740(18) 0.0414(8) Uani 1 1 d . . . . .
H3 H 0.626172 0.947673 0.993446 0.050 Uiso 1 1 calc R U . . .
C4 C 0.2418(3) 0.4266(2) 0.93536(15) 0.0378(7) Uani 1 1 d . . . . .
H4A H 0.252474 0.367873 0.958020 0.045 Uiso 1 1 calc R U . . .
B4 B 0.6929(3) 0.7932(3) 0.92551(18) 0.0395(8) Uani 1 1 d . . . . .
H4 H 0.778755 0.794191 0.956959 0.047 Uiso 1 1 calc R U . . .
C5 C -0.0355(3) 0.2534(2) 0.94273(15) 0.0420(7) Uani 1 1 d . . . . .
H5A H 0.024961 0.226228 0.964598 0.050 Uiso 1 1 calc R U . . .
B5 B 0.5896(3) 0.6720(3) 0.88643(17) 0.0335(7) Uani 1 1 d . . . . .
H5 H 0.605327 0.591527 0.891490 0.040 Uiso 1 1 calc R U . . .
C6 C -0.1610(3) 0.1970(3) 0.93852(16) 0.0490(9) Uani 1 1 d . . . . .
H6A H -0.186861 0.130068 0.957370 0.059 Uiso 1 1 calc R U . . .
B6 B 0.4335(3) 0.7866(2) 0.82961(16) 0.0318(7) Uani 1 1 d . . . . .
H6 H 0.347173 0.781464 0.797290 0.038 Uiso 1 1 calc R U . . .
C7 C -0.2497(3) 0.2366(3) 0.90727(18) 0.0569(10) Uani 1 1 d . . . . .
H7A H -0.335578 0.196754 0.904943 0.068 Uiso 1 1 calc R U . . .
B7 B 0.5340(3) 0.9098(3) 0.86826(18) 0.0372(8) Uani 1 1 d . . . . .
H7 H 0.514249 0.988424 0.861856 0.045 Uiso 1 1 calc R U . . .
C8 C -0.2140(3) 0.3344(3) 0.87925(18) 0.0521(9) Uani 1 1 d . . . . .
H8A H -0.274930 0.361901 0.858121 0.063 Uiso 1 1 calc R U . . .
B8 B 0.6898(3) 0.8958(3) 0.87073(18) 0.0395(8) Uani 1 1 d . . . . .
H8 H 0.773841 0.965320 0.866243 0.047 Uiso 1 1 calc R U . . .
C9 C -0.0280(3) 0.4989(2) 0.85574(15) 0.0335(6) Uani 1 1 d . . . . .
B9 B 0.6832(3) 0.7636(3) 0.83316(18) 0.0351(7) Uani 1 1 d . . . . .
H9 H 0.762791 0.744795 0.803363 0.042 Uiso 1 1 calc R U . . .
C10 C 0.1087(3) 0.5157(2) 0.87874(14) 0.0311(6) Uani 1 1 d . . . . .
B10 B 0.5869(3) 0.8358(2) 0.79852(18) 0.0340(7) Uani 1 1 d . . . . .
H10 H 0.602838 0.865539 0.745727 0.041 Uiso 1 1 calc R U . . .
C11 C 0.1237(3) 0.4277(2) 0.91135(14) 0.0324(6) Uani 1 1 d . . . . .
C12 C 0.0003(3) 0.3509(2) 0.91414(14) 0.0349(7) Uani 1 1 d . . . . .
C13 C -0.0884(3) 0.3912(2) 0.88261(15) 0.0362(7) Uani 1 1 d . . . . .
C14 C 0.4426(2) 0.6936(2) 0.88588(14) 0.0291(6) Uani 1 1 d . . . . .
C15 C 0.5285(3) 0.7028(2) 0.81084(14) 0.0299(6) Uani 1 1 d . . . . .
C26 C -0.0828(3) 0.5876(2) 0.88847(17) 0.0435(7) Uani 1 1 d . . . . .
H26A H -0.172143 0.570781 0.875065 0.065 Uiso 1 1 calc R U . . .
H26B H -0.038140 0.656033 0.871841 0.065 Uiso 1 1 calc R U . . .
H26C H -0.073271 0.593112 0.939517 0.065 Uiso 1 1 calc R U . . .
C27 C -0.0410(3) 0.4900(2) 0.77545(15) 0.0426(7) Uani 1 1 d . . . . .
H27A H -0.130189 0.469017 0.761216 0.064 Uiso 1 1 calc R U . . .
H27B H -0.001000 0.435887 0.754888 0.064 Uiso 1 1 calc R U . . .
H27C H 0.000025 0.559554 0.759126 0.064 Uiso 1 1 calc R U . . .
Si28 Si 0.49047(8) 0.59680(6) 0.72945(4) 0.0332(2) Uani 1 1 d . . . . .
C29 C 0.5785(3) 0.4943(3) 0.73941(17) 0.0497(8) Uani 1 1 d . . . . .
H29A H 0.603290 0.470152 0.692461 0.060 Uiso 1 1 calc R U . . .
H29B H 0.656587 0.529498 0.767420 0.060 Uiso 1 1 calc R U . . .
C30 C 0.5082(4) 0.3959(3) 0.7735(2) 0.0668(11) Uani 1 1 d . . . . .
H30A H 0.562052 0.347485 0.776066 0.100 Uiso 1 1 calc R U . . .
H30B H 0.431728 0.358762 0.745722 0.100 Uiso 1 1 calc R U . . .
H30C H 0.485698 0.418072 0.820860 0.100 Uiso 1 1 calc R U . . .
C31 C 0.5495(3) 0.6694(3) 0.65165(15) 0.0415(7) Uani 1 1 d . . . . .
H31A H 0.633599 0.718525 0.664266 0.050 Uiso 1 1 calc R U . . .
H31B H 0.560355 0.615942 0.613480 0.050 Uiso 1 1 calc R U . . .
C32 C 0.4678(3) 0.7344(3) 0.62319(17) 0.0514(9) Uani 1 1 d . . . . .
H32A H 0.507820 0.768892 0.582977 0.077 Uiso 1 1 calc R U . . .
H32B H 0.458023 0.789494 0.659777 0.077 Uiso 1 1 calc R U . . .
H32C H 0.384956 0.686710 0.608560 0.077 Uiso 1 1 calc R U . . .
C33 C 0.3180(3) 0.5325(2) 0.71693(16) 0.0428(7) Uani 1 1 d . . . . .
H33A H 0.288149 0.489722 0.756305 0.051 Uiso 1 1 calc R U . . .
H33B H 0.273237 0.589056 0.717462 0.051 Uiso 1 1 calc R U . . .
C34 C 0.2864(4) 0.4594(3) 0.64772(17) 0.0586(10) Uani 1 1 d . . . . .
H34A H 0.195328 0.427513 0.643028 0.088 Uiso 1 1 calc R U . . .
H34B H 0.328999 0.402387 0.647444 0.088 Uiso 1 1 calc R U . . .
H34C H 0.314548 0.501771 0.608563 0.088 Uiso 1 1 calc R U . . .
C41 C 0.8454(3) 1.0730(2) 0.38216(14) 0.0298(6) Uani 1 1 d . . . . .
C42 C 0.9200(3) 1.0831(2) 0.30322(14) 0.0316(6) Uani 1 1 d . . . . .
B43 B 0.9944(3) 1.0565(3) 0.37549(17) 0.0342(7) Uani 1 1 d . . . . .
H43 H 1.015611 0.977733 0.379268 0.041 Uiso 1 1 calc R U . . .
B44 B 0.9506(3) 1.1298(3) 0.44888(17) 0.0374(8) Uani 1 1 d . . . . .
H44 H 0.944190 1.100644 0.501953 0.045 Uiso 1 1 calc R U . . .
B45 B 0.8431(3) 1.1972(3) 0.41940(17) 0.0347(7) Uani 1 1 d . . . . .
H45 H 0.765427 1.212975 0.452413 0.042 Uiso 1 1 calc R U . . .
B46 B 0.8237(3) 1.1634(3) 0.32691(16) 0.0328(7) Uani 1 1 d . . . . .
H46 H 0.732472 1.154866 0.298283 0.039 Uiso 1 1 calc R U . . .
B47 B 0.9696(3) 1.2161(3) 0.28936(18) 0.0366(8) Uani 1 1 d . . . . .
H47 H 0.975995 1.244975 0.236184 0.044 Uiso 1 1 calc R U . . .
B48 B 0.9228(3) 1.2892(3) 0.36206(18) 0.0380(8) Uani 1 1 d . . . . .
H48 H 0.897565 1.366096 0.357486 0.046 Uiso 1 1 calc R U . . .
B49 B 1.0040(3) 1.2680(3) 0.43766(18) 0.0416(8) Uani 1 1 d . . . . .
H49 H 1.033741 1.330993 0.483136 0.050 Uiso 1 1 calc R U . . .
B50 B 1.0972(3) 1.1797(3) 0.41034(18) 0.0396(8) Uani 1 1 d . . . . .
H50 H 1.188369 1.183967 0.437659 0.048 Uiso 1 1 calc R U . . .
B51 B 1.0753(3) 1.1483(3) 0.31848(18) 0.0369(8) Uani 1 1 d . . . . .
H51 H 1.151660 1.131444 0.284798 0.044 Uiso 1 1 calc R U . . .
B52 B 1.0807(3) 1.2804(3) 0.35674(18) 0.0398(8) Uani 1 1 d . . . . .
H52 H 1.160449 1.351838 0.348777 0.048 Uiso 1 1 calc R U . . .
C53 C 0.5160(3) 0.8894(2) 0.38613(14) 0.0324(6) Uani 1 1 d . . . . .
C54 C 0.6141(3) 0.9766(2) 0.37539(14) 0.0317(6) Uani 1 1 d . . . . .
H54 H 0.597988 1.036357 0.356316 0.038 Uiso 1 1 calc R U . . .
C55 C 0.7372(3) 0.9774(2) 0.39243(13) 0.0301(6) Uani 1 1 d . . . . .
C56 C 0.7585(3) 0.8911(2) 0.42329(14) 0.0349(7) Uani 1 1 d . . . . .
H56 H 0.841841 0.892131 0.436276 0.042 Uiso 1 1 calc R U . . .
C57 C 0.6597(3) 0.8035(2) 0.43537(15) 0.0389(7) Uani 1 1 d . . . . .
H57 H 0.675284 0.745101 0.456410 0.047 Uiso 1 1 calc R U . . .
C58 C 0.5387(3) 0.8024(2) 0.41643(14) 0.0344(7) Uani 1 1 d . . . . .
C59 C 0.4186(3) 0.7216(2) 0.42096(14) 0.0387(7) Uani 1 1 d . . . . .
C60 C 0.3909(3) 0.6223(2) 0.44752(16) 0.0485(8) Uani 1 1 d . . . . .
H60 H 0.455656 0.597138 0.466668 0.058 Uiso 1 1 calc R U . . .
C61 C 0.2675(4) 0.5613(3) 0.44536(17) 0.0566(10) Uani 1 1 d . . . . .
H61 H 0.247086 0.493591 0.463338 0.068 Uiso 1 1 calc R U . . .
C62 C 0.1729(4) 0.5978(3) 0.41725(18) 0.0604(10) Uani 1 1 d . . . . .
H62 H 0.088622 0.554313 0.415713 0.072 Uiso 1 1 calc R U . . .
C63 C 0.1997(3) 0.6970(3) 0.39131(18) 0.0524(9) Uani 1 1 d . . . . .
H63 H 0.134448 0.721997 0.372542 0.063 Uiso 1 1 calc R U . . .
C64 C 0.3238(3) 0.7592(2) 0.39334(15) 0.0417(7) Uani 1 1 d . . . . .
C65 C 0.3764(3) 0.8702(2) 0.36925(15) 0.0383(7) Uani 1 1 d . . . . .
C66 C 0.3233(3) 0.9544(3) 0.41053(19) 0.0520(9) Uani 1 1 d . . . . .
H66A H 0.232437 0.936943 0.401375 0.078 Uiso 1 1 calc R U . . .
H66B H 0.363410 1.025341 0.395981 0.078 Uiso 1 1 calc R U . . .
H66C H 0.340280 0.954693 0.460633 0.078 Uiso 1 1 calc R U . . .
C67 C 0.3526(3) 0.8693(3) 0.29014(17) 0.0509(8) Uani 1 1 d . . . . .
H67A H 0.261932 0.849169 0.279707 0.076 Uiso 1 1 calc R U . . .
H67B H 0.390070 0.817169 0.264426 0.076 Uiso 1 1 calc R U . . .
H67C H 0.390726 0.940819 0.275951 0.076 Uiso 1 1 calc R U . . .
Si68 Si 0.87845(9) 0.97505(7) 0.22333(4) 0.0436(2) Uani 1 1 d D . . . .
C69 C 0.7063(3) 0.9115(3) 0.21501(17) 0.0545(9) Uani 1 1 d . . . . .
H69A H 0.679797 0.870421 0.255547 0.065 Uiso 1 1 calc R U . . .
H69B H 0.662000 0.968416 0.216381 0.065 Uiso 1 1 calc R U . . .
C70 C 0.6667(4) 0.8359(3) 0.14725(19) 0.0811(14) Uani 1 1 d . . . . .
H70A H 0.576798 0.799634 0.147778 0.122 Uiso 1 1 calc R U . . .
H70B H 0.714699 0.782357 0.143854 0.122 Uiso 1 1 calc R U . . .
H70C H 0.683516 0.877543 0.106928 0.122 Uiso 1 1 calc R U . . .
C71 C 0.9751(5) 0.8797(3) 0.2306(2) 0.0636(13) Uani 0.870(6) 1 d D U P A 1
H71A H 0.994076 0.853799 0.182783 0.076 Uiso 0.870(6) 1 calc R U P A 1
H71B H 1.055957 0.919420 0.254579 0.076 Uiso 0.870(6) 1 calc R U P A 1
C72 C 0.9171(5) 0.7822(4) 0.2694(3) 0.0801(16) Uani 0.870(6) 1 d D U P A 1
H72A H 0.976987 0.738997 0.271784 0.120 Uiso 0.870(6) 1 calc R U P A 1
H72B H 0.840029 0.738789 0.244357 0.120 Uiso 0.870(6) 1 calc R U P A 1
H72C H 0.897194 0.806197 0.316835 0.120 Uiso 0.870(6) 1 calc R U P A 1
C73 C 0.9444(11) 1.0351(9) 0.1449(6) 0.059(3) Uani 0.600(7) 1 d D U P A 1
H73A H 1.027546 1.086065 0.157053 0.071 Uiso 0.600(7) 1 calc R U P A 1
H73B H 0.956721 0.978066 0.109725 0.071 Uiso 0.600(7) 1 calc R U P A 1
C74 C 0.8584(6) 1.0943(5) 0.1130(3) 0.068(2) Uani 0.600(7) 1 d D U P A 1
H74A H 0.898584 1.128390 0.072684 0.102 Uiso 0.600(7) 1 calc R U P A 1
H74B H 0.843774 1.149281 0.148131 0.102 Uiso 0.600(7) 1 calc R U P A 1
H74C H 0.778008 1.043079 0.097836 0.102 Uiso 0.600(7) 1 calc R U P A 1
C71B C 0.895(3) 0.8446(17) 0.2479(16) 0.057(4) Uani 0.130(6) 1 d D U P A 2
H71C H 0.856895 0.831939 0.293769 0.069 Uiso 0.130(6) 1 calc R U P A 2
H71D H 0.847553 0.786504 0.213013 0.069 Uiso 0.130(6) 1 calc R U P A 2
C72B C 1.032(2) 0.838(3) 0.2524(16) 0.063(6) Uani 0.130(6) 1 d D U P A 2
H72D H 1.033665 0.762890 0.241146 0.095 Uiso 0.130(6) 1 calc R U P A 2
H72E H 1.066579 0.863291 0.299890 0.095 Uiso 0.130(6) 1 calc R U P A 2
H72F H 1.082144 0.882062 0.219039 0.095 Uiso 0.130(6) 1 calc R U P A 2
C73B C 0.9236(17) 1.0625(11) 0.1468(7) 0.046(3) Uani 0.400(7) 1 d D U P A 2
H73C H 0.859723 1.102608 0.142917 0.055 Uiso 0.400(7) 1 calc R U P A 2
H73D H 1.004565 1.116140 0.159983 0.055 Uiso 0.400(7) 1 calc R U P A 2
C74B C 0.9365(9) 1.0077(8) 0.0739(4) 0.061(3) Uani 0.400(7) 1 d D U P A 2
H74D H 0.964476 1.062225 0.041437 0.091 Uiso 0.400(7) 1 calc R U P A 2
H74E H 0.855016 0.959487 0.057313 0.091 Uiso 0.400(7) 1 calc R U P A 2
H74F H 0.998273 0.966311 0.076232 0.091 Uiso 0.400(7) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C2 C1 1.398(4) . ?
C2 C3 1.398(4) . ?
C2 C14 1.505(4) . ?
B2 C14 1.708(4) . ?
B2 B7 1.771(5) . ?
B2 B1 1.779(5) . ?
B2 B3 1.781(5) . ?
B2 B6 1.785(4) . ?
B2 H2 1.1200 . ?
C1 C10 1.378(4) . ?
C1 H1A 0.9500 . ?
B1 C14 1.709(4) . ?
B1 B4 1.772(5) . ?
B1 B5 1.773(5) . ?
B1 B3 1.776(5) . ?
B1 H1 1.1200 . ?
C3 C4 1.390(4) . ?
C3 H3A 0.9500 . ?
B3 B8 1.771(5) . ?
B3 B7 1.783(5) . ?
B3 B4 1.790(5) . ?
B3 H3 1.1200 . ?
C4 C11 1.387(4) . ?
C4 H4A 0.9500 . ?
B4 B5 1.773(5) . ?
B4 B9 1.775(5) . ?
B4 B8 1.789(5) . ?
B4 H4 1.1200 . ?
C5 C6 1.382(4) . ?
C5 C12 1.394(4) . ?
C5 H5A 0.9500 . ?
B5 C14 1.721(4) . ?
B5 C15 1.727(4) . ?
B5 B9 1.770(4) . ?
B5 H5 1.1200 . ?
C6 C7 1.384(5) . ?
C6 H6A 0.9500 . ?
B6 C15 1.721(4) . ?
B6 C14 1.724(4) . ?
B6 B10 1.773(4) . ?
B6 B7 1.776(5) . ?
B6 H6 1.1200 . ?
C7 C8 1.391(5) . ?
C7 H7A 0.9500 . ?
B7 B10 1.765(5) . ?
B7 B8 1.781(5) . ?
B7 H7 1.1200 . ?
C8 C13 1.385(4) . ?
C8 H8A 0.9500 . ?
B8 B10 1.768(5) . ?
B8 B9 1.780(5) . ?
B8 H8 1.1200 . ?
C9 C13 1.524(4) . ?
C9 C10 1.525(4) . ?
C9 C26 1.527(4) . ?
C9 C27 1.540(4) . ?
B9 C15 1.712(4) . ?
B9 B10 1.765(4) . ?
B9 H9 1.1200 . ?
C10 C11 1.407(4) . ?
B10 C15 1.718(4) . ?
B10 H10 1.1200 . ?
C11 C12 1.463(4) . ?
C12 C13 1.392(4) . ?
C14 C15 1.727(4) . ?
C15 Si28 1.944(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
Si28 C33 1.869(3) . ?
Si28 C29 1.873(3) . ?
Si28 C31 1.875(3) . ?
C29 C30 1.520(5) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.527(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.537(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C41 C55 1.506(4) . ?
C41 B44 1.698(4) . ?
C41 B45 1.708(4) . ?
C41 B43 1.721(4) . ?
C41 B46 1.724(4) . ?
C41 C42 1.730(4) . ?
C42 B51 1.708(4) . ?
C42 B46 1.715(4) . ?
C42 B47 1.719(4) . ?
C42 B43 1.722(4) . ?
C42 Si68 1.939(3) . ?
B43 B50 1.764(5) . ?
B43 B44 1.766(5) . ?
B43 B51 1.768(4) . ?
B43 H43 1.1200 . ?
B44 B49 1.771(5) . ?
B44 B50 1.771(5) . ?
B44 B45 1.776(5) . ?
B44 H44 1.1200 . ?
B45 B48 1.770(4) . ?
B45 B49 1.785(5) . ?
B45 B46 1.786(4) . ?
B45 H45 1.1200 . ?
B46 B47 1.763(5) . ?
B46 B48 1.774(5) . ?
B46 H46 1.1200 . ?
B47 B52 1.762(5) . ?
B47 B51 1.762(5) . ?
B47 B48 1.769(5) . ?
B47 H47 1.1200 . ?
B48 B52 1.781(5) . ?
B48 B49 1.788(5) . ?
B48 H48 1.1200 . ?
B49 B52 1.775(5) . ?
B49 B50 1.782(5) . ?
B49 H49 1.1200 . ?
B50 B51 1.773(5) . ?
B50 B52 1.792(5) . ?
B50 H50 1.1200 . ?
B51 B52 1.787(5) . ?
B51 H51 1.1200 . ?
B52 H52 1.1200 . ?
C53 C54 1.376(4) . ?
C53 C58 1.403(4) . ?
C53 C65 1.524(4) . ?
C54 C55 1.395(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.394(4) . ?
C56 C57 1.390(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.381(4) . ?
C57 H57 0.9500 . ?
C58 C59 1.464(4) . ?
C59 C64 1.393(4) . ?
C59 C60 1.396(4) . ?
C60 C61 1.380(5) . ?
C60 H60 0.9500 . ?
C61 C62 1.387(5) . ?
C61 H61 0.9500 . ?
C62 C63 1.389(5) . ?
C62 H62 0.9500 . ?
C63 C64 1.392(4) . ?
C63 H63 0.9500 . ?
C64 C65 1.525(4) . ?
C65 C66 1.532(4) . ?
C65 C67 1.541(4) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
Si68 C73 1.832(10) . ?
Si68 C71 1.856(5) . ?
Si68 C69 1.859(4) . ?
Si68 C71B 1.863(17) . ?
Si68 C73B 1.936(12) . ?
C69 C70 1.537(4) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.528(7) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.535(11) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C71B C72B 1.539(19) . ?
C71B H71C 0.9900 . ?
C71B H71D 0.9900 . ?
C72B H72D 0.9800 . ?
C72B H72E 0.9800 . ?
C72B H72F 0.9800 . ?
C73B C74B 1.534(14) . ?
C73B H73C 0.9900 . ?
C73B H73D 0.9900 . ?
C74B H74D 0.9800 . ?
C74B H74E 0.9800 . ?
C74B H74F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 C2 C3 119.1(2) . . ?
C1 C2 C14 120.9(2) . . ?
C3 C2 C14 119.9(2) . . ?
C14 B2 B7 106.0(2) . . ?
C14 B2 B1 58.63(17) . . ?
B7 B2 B1 107.9(2) . . ?
C14 B2 B3 105.6(2) . . ?
B7 B2 B3 60.27(19) . . ?
B1 B2 B3 59.86(19) . . ?
C14 B2 B6 59.10(16) . . ?
B7 B2 B6 59.93(18) . . ?
B1 B2 B6 107.3(2) . . ?
B3 B2 B6 107.8(2) . . ?
C14 B2 H2 123.8 . . ?
B7 B2 H2 121.9 . . ?
B1 B2 H2 122.0 . . ?
B3 B2 H2 122.1 . . ?
B6 B2 H2 121.8 . . ?
C10 C1 C2 119.9(2) . . ?
C10 C1 H1A 120.0 . . ?
C2 C1 H1A 120.0 . . ?
C14 B1 B4 106.4(2) . . ?
C14 B1 B5 59.23(17) . . ?
B4 B1 B5 60.03(19) . . ?
C14 B1 B3 105.8(2) . . ?
B4 B1 B3 60.6(2) . . ?
B5 B1 B3 108.1(2) . . ?
C14 B1 B2 58.60(17) . . ?
B4 B1 B2 108.6(2) . . ?
B5 B1 B2 107.5(2) . . ?
B3 B1 B2 60.11(19) . . ?
C14 B1 H1 123.8 . . ?
B4 B1 H1 121.5 . . ?
B5 B1 H1 121.7 . . ?
B3 B1 H1 121.9 . . ?
B2 B1 H1 121.7 . . ?
C4 C3 C2 121.3(3) . . ?
C4 C3 H3A 119.4 . . ?
C2 C3 H3A 119.4 . . ?
B8 B3 B1 107.9(3) . . ?
B8 B3 B2 108.0(2) . . ?
B1 B3 B2 60.03(19) . . ?
B8 B3 B7 60.1(2) . . ?
B1 B3 B7 107.5(2) . . ?
B2 B3 B7 59.58(18) . . ?
B8 B3 B4 60.3(2) . . ?
B1 B3 B4 59.6(2) . . ?
B2 B3 B4 107.8(2) . . ?
B7 B3 B4 108.0(2) . . ?
B8 B3 H3 121.5 . . ?
B1 B3 H3 122.0 . . ?
B2 B3 H3 121.9 . . ?
B7 B3 H3 122.0 . . ?
B4 B3 H3 121.8 . . ?
C11 C4 C3 119.1(3) . . ?
C11 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
B1 B4 B5 59.99(19) . . ?
B1 B4 B9 107.8(2) . . ?
B5 B4 B9 59.83(18) . . ?
B1 B4 B8 107.3(2) . . ?
B5 B4 B8 107.5(2) . . ?
B9 B4 B8 59.94(19) . . ?
B1 B4 B3 59.8(2) . . ?
B5 B4 B3 107.5(2) . . ?
B9 B4 B3 107.3(2) . . ?
B8 B4 B3 59.3(2) . . ?
B1 B4 H4 121.8 . . ?
B5 B4 H4 121.9 . . ?
B9 B4 H4 121.9 . . ?
B8 B4 H4 122.2 . . ?
B3 B4 H4 122.2 . . ?
C6 C5 C12 118.5(3) . . ?
C6 C5 H5A 120.8 . . ?
C12 C5 H5A 120.8 . . ?
C14 B5 C15 60.09(16) . . ?
C14 B5 B9 106.6(2) . . ?
C15 B5 B9 58.63(17) . . ?
C14 B5 B1 58.54(18) . . ?
C15 B5 B1 107.0(2) . . ?
B9 B5 B1 108.0(2) . . ?
C14 B5 B4 105.8(2) . . ?
C15 B5 B4 106.3(2) . . ?
B9 B5 B4 60.13(19) . . ?
B1 B5 B4 59.97(19) . . ?
C14 B5 H5 123.0 . . ?
C15 B5 H5 122.6 . . ?
B9 B5 H5 122.1 . . ?
B1 B5 H5 122.0 . . ?
B4 B5 H5 122.6 . . ?
C5 C6 C7 121.0(3) . . ?
C5 C6 H6A 119.5 . . ?
C7 C6 H6A 119.5 . . ?
C15 B6 C14 60.16(16) . . ?
C15 B6 B10 58.91(17) . . ?
C14 B6 B10 106.5(2) . . ?
C15 B6 B7 106.0(2) . . ?
C14 B6 B7 105.1(2) . . ?
B10 B6 B7 59.66(18) . . ?
C15 B6 B2 106.9(2) . . ?
C14 B6 B2 58.23(17) . . ?
B10 B6 B2 107.5(2) . . ?
B7 B6 B2 59.62(18) . . ?
C15 B6 H6 122.5 . . ?
C14 B6 H6 123.3 . . ?
B10 B6 H6 122.2 . . ?
B7 B6 H6 123.1 . . ?
B2 B6 H6 122.3 . . ?
C6 C7 C8 120.5(3) . . ?
C6 C7 H7A 119.8 . . ?
C8 C7 H7A 119.8 . . ?
B10 B7 B2 108.5(2) . . ?
B10 B7 B6 60.07(18) . . ?
B2 B7 B6 60.44(18) . . ?
B10 B7 B8 59.79(19) . . ?
B2 B7 B8 108.0(2) . . ?
B6 B7 B8 107.8(2) . . ?
B10 B7 B3 107.6(2) . . ?
B2 B7 B3 60.14(19) . . ?
B6 B7 B3 108.1(2) . . ?
B8 B7 B3 59.6(2) . . ?
B10 B7 H7 121.7 . . ?
B2 B7 H7 121.3 . . ?
B6 B7 H7 121.5 . . ?
B8 B7 H7 122.0 . . ?
B3 B7 H7 121.9 . . ?
C13 C8 C7 119.1(3) . . ?
C13 C8 H8A 120.5 . . ?
C7 C8 H8A 120.5 . . ?
B10 B8 B3 108.1(2) . . ?
B10 B8 B9 59.67(18) . . ?
B3 B8 B9 107.9(2) . . ?
B10 B8 B7 59.67(19) . . ?
B3 B8 B7 60.3(2) . . ?
B9 B8 B7 107.3(2) . . ?
B10 B8 B4 107.6(2) . . ?
B3 B8 B4 60.4(2) . . ?
B9 B8 B4 59.64(19) . . ?
B7 B8 B4 108.1(2) . . ?
B10 B8 H8 122.0 . . ?
B3 B8 H8 121.4 . . ?
B9 B8 H8 122.2 . . ?
B7 B8 H8 121.9 . . ?
B4 B8 H8 121.7 . . ?
C13 C9 C10 100.7(2) . . ?
C13 C9 C26 112.2(2) . . ?
C10 C9 C26 112.3(2) . . ?
C13 C9 C27 110.7(2) . . ?
C10 C9 C27 110.5(2) . . ?
C26 C9 C27 110.1(2) . . ?
C15 B9 B10 59.20(17) . . ?
C15 B9 B5 59.45(17) . . ?
B10 B9 B5 107.8(2) . . ?
C15 B9 B4 106.9(2) . . ?
B10 B9 B4 108.3(2) . . ?
B5 B9 B4 60.04(19) . . ?
C15 B9 B8 106.3(2) . . ?
B10 B9 B8 59.80(19) . . ?
B5 B9 B8 108.0(2) . . ?
B4 B9 B8 60.41(19) . . ?
C15 B9 H9 123.1 . . ?
B10 B9 H9 121.7 . . ?
B5 B9 H9 121.7 . . ?
B4 B9 H9 121.6 . . ?
B8 B9 H9 122.0 . . ?
C1 C10 C11 120.6(3) . . ?
C1 C10 C9 128.6(2) . . ?
C11 C10 C9 110.8(2) . . ?
C15 B10 B9 58.86(17) . . ?
C15 B10 B7 106.5(2) . . ?
B9 B10 B7 108.7(2) . . ?
C15 B10 B8 106.6(2) . . ?
B9 B10 B8 60.53(19) . . ?
B7 B10 B8 60.5(2) . . ?
C15 B10 B6 59.04(17) . . ?
B9 B10 B6 107.6(2) . . ?
B7 B10 B6 60.27(18) . . ?
B8 B10 B6 108.6(2) . . ?
C15 B10 H10 123.5 . . ?
B9 B10 H10 121.6 . . ?
B7 B10 H10 121.5 . . ?
B8 B10 H10 121.4 . . ?
B6 B10 H10 121.7 . . ?
C4 C11 C10 119.9(3) . . ?
C4 C11 C12 131.6(3) . . ?
C10 C11 C12 108.4(2) . . ?
C13 C12 C5 120.8(3) . . ?
C13 C12 C11 108.4(2) . . ?
C5 C12 C11 130.8(3) . . ?
C8 C13 C12 120.2(3) . . ?
C8 C13 C9 128.3(3) . . ?
C12 C13 C9 111.6(2) . . ?
C2 C14 B2 119.7(2) . . ?
C2 C14 B1 119.0(2) . . ?
B2 C14 B1 62.76(18) . . ?
C2 C14 B5 118.3(2) . . ?
B2 C14 B5 113.3(2) . . ?
B1 C14 B5 62.24(19) . . ?
C2 C14 B6 119.6(2) . . ?
B2 C14 B6 62.68(17) . . ?
B1 C14 B6 113.5(2) . . ?
B5 C14 B6 111.3(2) . . ?
C2 C14 C15 121.3(2) . . ?
B2 C14 C15 110.1(2) . . ?
B1 C14 C15 110.0(2) . . ?
B5 C14 C15 60.12(16) . . ?
B6 C14 C15 59.82(16) . . ?
B9 C15 B10 61.93(18) . . ?
B9 C15 B6 112.6(2) . . ?
B10 C15 B6 62.05(18) . . ?
B9 C15 C14 108.9(2) . . ?
B10 C15 C14 108.8(2) . . ?
B6 C15 C14 60.02(16) . . ?
B9 C15 B5 61.93(18) . . ?
B10 C15 B5 112.0(2) . . ?
B6 C15 B5 111.1(2) . . ?
C14 C15 B5 59.79(16) . . ?
B9 C15 Si28 118.1(2) . . ?
B10 C15 Si28 118.86(18) . . ?
B6 C15 Si28 120.11(18) . . ?
C14 C15 Si28 124.08(17) . . ?
B5 C15 Si28 119.54(19) . . ?
C9 C26 H26A 109.5 . . ?
C9 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C9 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C9 C27 H27A 109.5 . . ?
C9 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C9 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C33 Si28 C29 111.14(15) . . ?
C33 Si28 C31 109.28(14) . . ?
C29 Si28 C31 108.92(15) . . ?
C33 Si28 C15 111.91(13) . . ?
C29 Si28 C15 108.65(14) . . ?
C31 Si28 C15 106.80(13) . . ?
C30 C29 Si28 115.9(3) . . ?
C30 C29 H29A 108.3 . . ?
Si28 C29 H29A 108.3 . . ?
C30 C29 H29B 108.3 . . ?
Si28 C29 H29B 108.3 . . ?
H29A C29 H29B 107.4 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Si28 116.7(2) . . ?
C32 C31 H31A 108.1 . . ?
Si28 C31 H31A 108.1 . . ?
C32 C31 H31B 108.1 . . ?
Si28 C31 H31B 108.1 . . ?
H31A C31 H31B 107.3 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 Si28 111.9(2) . . ?
C34 C33 H33A 109.2 . . ?
Si28 C33 H33A 109.2 . . ?
C34 C33 H33B 109.2 . . ?
Si28 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C55 C41 B44 120.1(2) . . ?
C55 C41 B45 119.6(2) . . ?
B44 C41 B45 62.88(19) . . ?
C55 C41 B43 119.1(2) . . ?
B44 C41 B43 62.21(19) . . ?
B45 C41 B43 113.3(2) . . ?
C55 C41 B46 118.8(2) . . ?
B44 C41 B46 113.3(2) . . ?
B45 C41 B46 62.74(18) . . ?
B43 C41 B46 110.7(2) . . ?
C55 C41 C42 120.7(2) . . ?
B44 C41 C42 109.8(2) . . ?
B45 C41 C42 110.2(2) . . ?
B43 C41 C42 59.87(16) . . ?
B46 C41 C42 59.54(16) . . ?
B51 C42 B46 112.4(2) . . ?
B51 C42 B47 61.90(18) . . ?
B46 C42 B47 61.79(18) . . ?
B51 C42 B43 62.03(18) . . ?
B46 C42 B43 111.0(2) . . ?
B47 C42 B43 111.9(2) . . ?
B51 C42 C41 109.1(2) . . ?
B46 C42 C41 60.04(16) . . ?
B47 C42 C41 108.7(2) . . ?
B43 C42 C41 59.81(16) . . ?
B51 C42 Si68 116.9(2) . . ?
B46 C42 Si68 121.40(19) . . ?
B47 C42 Si68 119.17(18) . . ?
B43 C42 Si68 118.78(19) . . ?
C41 C42 Si68 124.55(18) . . ?
C41 B43 C42 60.31(16) . . ?
C41 B43 B50 105.8(2) . . ?
C42 B43 B50 106.3(2) . . ?
C41 B43 B44 58.24(18) . . ?
C42 B43 B44 107.0(2) . . ?
B50 B43 B44 60.2(2) . . ?
C41 B43 B51 106.8(2) . . ?
C42 B43 B51 58.58(17) . . ?
B50 B43 B51 60.27(19) . . ?
B44 B43 B51 108.4(2) . . ?
C41 B43 H43 123.0 . . ?
C42 B43 H43 122.6 . . ?
B50 B43 H43 122.5 . . ?
B44 B43 H43 121.9 . . ?
B51 B43 H43 121.9 . . ?
C41 B44 B43 59.56(18) . . ?
C41 B44 B49 106.3(2) . . ?
B43 B44 B49 108.1(2) . . ?
C41 B44 B50 106.6(2) . . ?
B43 B44 B50 59.82(19) . . ?
B49 B44 B50 60.4(2) . . ?
C41 B44 B45 58.84(17) . . ?
B43 B44 B45 108.0(2) . . ?
B49 B44 B45 60.41(19) . . ?
B50 B44 B45 108.7(2) . . ?
C41 B44 H44 123.4 . . ?
B43 B44 H44 121.7 . . ?
B49 B44 H44 121.8 . . ?
B50 B44 H44 121.7 . . ?
B45 B44 H44 121.5 . . ?
C41 B45 B48 106.1(2) . . ?
C41 B45 B44 58.28(18) . . ?
B48 B45 B44 107.8(2) . . ?
C41 B45 B49 105.3(2) . . ?
B48 B45 B49 60.39(19) . . ?
B44 B45 B49 59.65(19) . . ?
C41 B45 B46 59.06(17) . . ?
B48 B45 B46 59.86(18) . . ?
B44 B45 B46 106.7(2) . . ?
B49 B45 B46 107.4(2) . . ?
C41 B45 H45 123.9 . . ?
B48 B45 H45 121.7 . . ?
B44 B45 H45 122.4 . . ?
B49 B45 H45 122.3 . . ?
B46 B45 H45 122.2 . . ?
C42 B46 C41 60.42(16) . . ?
C42 B46 B47 59.21(18) . . ?
C41 B46 B47 107.0(2) . . ?
C42 B46 B48 106.6(2) . . ?
C41 B46 B48 105.3(2) . . ?
B47 B46 B48 60.01(19) . . ?
C42 B46 B45 107.2(2) . . ?
C41 B46 B45 58.19(17) . . ?
B47 B46 B45 107.9(2) . . ?
B48 B46 B45 59.61(18) . . ?
C42 B46 H46 122.1 . . ?
C41 B46 H46 123.1 . . ?
B47 B46 H46 121.8 . . ?
B48 B46 H46 122.9 . . ?
B45 B46 H46 122.2 . . ?
C42 B47 B52 106.9(2) . . ?
C42 B47 B51 58.75(17) . . ?
B52 B47 B51 60.94(19) . . ?
C42 B47 B46 59.00(17) . . ?
B52 B47 B46 108.7(2) . . ?
B51 B47 B46 107.6(2) . . ?
C42 B47 B48 106.6(2) . . ?
B52 B47 B48 60.6(2) . . ?
B51 B47 B48 109.0(2) . . ?
B46 B47 B48 60.31(19) . . ?
C42 B47 H47 123.5 . . ?
B52 B47 H47 121.2 . . ?
B51 B47 H47 121.4 . . ?
B46 B47 H47 121.7 . . ?
B48 B47 H47 121.4 . . ?
B47 B48 B45 108.4(2) . . ?
B47 B48 B46 59.68(19) . . ?
B45 B48 B46 60.53(18) . . ?
B47 B48 B52 59.51(19) . . ?
B45 B48 B52 108.3(2) . . ?
B46 B48 B52 107.4(2) . . ?
B47 B48 B49 107.2(2) . . ?
B45 B48 B49 60.22(19) . . ?
B46 B48 B49 107.8(2) . . ?
B52 B48 B49 59.66(19) . . ?
B47 B48 H48 122.1 . . ?
B45 B48 H48 121.1 . . ?
B46 B48 H48 121.9 . . ?
B52 B48 H48 122.1 . . ?
B49 B48 H48 122.1 . . ?
B44 B49 B52 108.2(3) . . ?
B44 B49 B50 59.8(2) . . ?
B52 B49 B50 60.5(2) . . ?
B44 B49 B45 59.94(19) . . ?
B52 B49 B45 107.9(2) . . ?
B50 B49 B45 107.8(2) . . ?
B44 B49 B48 107.3(2) . . ?
B52 B49 B48 59.99(19) . . ?
B50 B49 B48 107.9(2) . . ?
B45 B49 B48 59.40(18) . . ?
B44 B49 H49 121.9 . . ?
B52 B49 H49 121.4 . . ?
B50 B49 H49 121.6 . . ?
B45 B49 H49 122.0 . . ?
B48 B49 H49 122.2 . . ?
B43 B50 B44 59.96(19) . . ?
B43 B50 B51 59.97(18) . . ?
B44 B50 B51 107.9(2) . . ?
B43 B50 B49 107.7(2) . . ?
B44 B50 B49 59.8(2) . . ?
B51 B50 B49 107.8(2) . . ?
B43 B50 B52 107.8(2) . . ?
B44 B50 B52 107.4(2) . . ?
B51 B50 B52 60.17(19) . . ?
B49 B50 B52 59.6(2) . . ?
B43 B50 H50 121.8 . . ?
B44 B50 H50 121.9 . . ?
B51 B50 H50 121.6 . . ?
B49 B50 H50 122.0 . . ?
B52 B50 H50 122.0 . . ?
C42 B51 B47 59.35(18) . . ?
C42 B51 B43 59.39(17) . . ?
B47 B51 B43 107.7(2) . . ?
C42 B51 B50 106.6(2) . . ?
B47 B51 B50 108.0(3) . . ?
B43 B51 B50 59.76(19) . . ?
C42 B51 B52 106.2(2) . . ?
B47 B51 B52 59.52(19) . . ?
B43 B51 B52 107.8(2) . . ?
B50 B51 B52 60.4(2) . . ?
C42 B51 H51 123.1 . . ?
B47 B51 H51 121.9 . . ?
B43 B51 H51 121.8 . . ?
B50 B51 H51 121.8 . . ?
B52 B51 H51 122.1 . . ?
B47 B52 B49 108.1(2) . . ?
B47 B52 B48 59.9(2) . . ?
B49 B52 B48 60.3(2) . . ?
B47 B52 B51 59.54(19) . . ?
B49 B52 B51 107.5(2) . . ?
B48 B52 B51 107.4(2) . . ?
B47 B52 B50 107.1(2) . . ?
B49 B52 B50 59.9(2) . . ?
B48 B52 B50 107.8(2) . . ?
B51 B52 B50 59.39(19) . . ?
B47 B52 H52 122.0 . . ?
B49 B52 H52 121.5 . . ?
B48 B52 H52 121.7 . . ?
B51 B52 H52 122.3 . . ?
B50 B52 H52 122.2 . . ?
C54 C53 C58 120.2(3) . . ?
C54 C53 C65 128.8(3) . . ?
C58 C53 C65 110.9(2) . . ?
C53 C54 C55 120.2(3) . . ?
C53 C54 H54 119.9 . . ?
C55 C54 H54 119.9 . . ?
C56 C55 C54 119.1(3) . . ?
C56 C55 C41 120.0(2) . . ?
C54 C55 C41 120.8(2) . . ?
C57 C56 C55 121.1(3) . . ?
C57 C56 H56 119.5 . . ?
C55 C56 H56 119.5 . . ?
C58 C57 C56 119.2(3) . . ?
C58 C57 H57 120.4 . . ?
C56 C57 H57 120.4 . . ?
C57 C58 C53 120.2(3) . . ?
C57 C58 C59 131.4(3) . . ?
C53 C58 C59 108.4(3) . . ?
C64 C59 C60 120.9(3) . . ?
C64 C59 C58 108.5(3) . . ?
C60 C59 C58 130.6(3) . . ?
C61 C60 C59 118.6(3) . . ?
C61 C60 H60 120.7 . . ?
C59 C60 H60 120.7 . . ?
C60 C61 C62 120.8(3) . . ?
C60 C61 H61 119.6 . . ?
C62 C61 H61 119.6 . . ?
C61 C62 C63 120.9(3) . . ?
C61 C62 H62 119.5 . . ?
C63 C62 H62 119.5 . . ?
C62 C63 C64 118.7(4) . . ?
C62 C63 H63 120.6 . . ?
C64 C63 H63 120.6 . . ?
C63 C64 C59 120.1(3) . . ?
C63 C64 C65 128.6(3) . . ?
C59 C64 C65 111.4(3) . . ?
C53 C65 C64 100.8(2) . . ?
C53 C65 C66 111.3(2) . . ?
C64 C65 C66 111.7(3) . . ?
C53 C65 C67 110.7(3) . . ?
C64 C65 C67 111.5(2) . . ?
C66 C65 C67 110.5(3) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C73 Si68 C71 99.8(4) . . ?
C73 Si68 C69 113.4(4) . . ?
C71 Si68 C69 114.5(2) . . ?
C69 Si68 C71B 87.3(9) . . ?
C69 Si68 C73B 107.4(6) . . ?
C71B Si68 C73B 137.7(11) . . ?
C73 Si68 C42 109.1(4) . . ?
C71 Si68 C42 108.21(17) . . ?
C69 Si68 C42 111.16(14) . . ?
C71B Si68 C42 110.2(9) . . ?
C73B Si68 C42 101.2(5) . . ?
C70 C69 Si68 113.1(3) . . ?
C70 C69 H69A 109.0 . . ?
Si68 C69 H69A 109.0 . . ?
C70 C69 H69B 109.0 . . ?
Si68 C69 H69B 109.0 . . ?
H69A C69 H69B 107.8 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C72 C71 Si68 116.2(4) . . ?
C72 C71 H71A 108.2 . . ?
Si68 C71 H71A 108.2 . . ?
C72 C71 H71B 108.2 . . ?
Si68 C71 H71B 108.2 . . ?
H71A C71 H71B 107.4 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 Si68 111.8(6) . . ?
C74 C73 H73A 109.3 . . ?
Si68 C73 H73A 109.3 . . ?
C74 C73 H73B 109.3 . . ?
Si68 C73 H73B 109.3 . . ?
H73A C73 H73B 107.9 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C72B C71B Si68 114(2) . . ?
C72B C71B H71C 108.7 . . ?
Si68 C71B H71C 108.7 . . ?
C72B C71B H71D 108.7 . . ?
Si68 C71B H71D 108.7 . . ?
H71C C71B H71D 107.6 . . ?
C71B C72B H72D 109.5 . . ?
C71B C72B H72E 109.5 . . ?
H72D C72B H72E 109.5 . . ?
C71B C72B H72F 109.5 . . ?
H72D C72B H72F 109.5 . . ?
H72E C72B H72F 109.5 . . ?
C74B C73B Si68 118.8(9) . . ?
C74B C73B H73C 107.6 . . ?
Si68 C73B H73C 107.6 . . ?
C74B C73B H73D 107.6 . . ?
Si68 C73B H73D 107.6 . . ?
H73C C73B H73D 107.0 . . ?
C73B C74B H74D 109.5 . . ?
C73B C74B H74E 109.5 . . ?
H74D C74B H74E 109.5 . . ?
C73B C74B H74F 109.5 . . ?
H74D C74B H74F 109.5 . . ?
H74E C74B H74F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C2 C1 C10 -3.0(4) . . . . ?
C14 C2 C1 C10 -178.8(3) . . . . ?
B7 B2 B1 C14 -98.2(2) . . . . ?
B3 B2 B1 C14 -135.9(2) . . . . ?
B6 B2 B1 C14 -35.0(2) . . . . ?
C14 B2 B1 B4 98.3(3) . . . . ?
B7 B2 B1 B4 0.1(3) . . . . ?
B3 B2 B1 B4 -37.7(2) . . . . ?
B6 B2 B1 B4 63.3(3) . . . . ?
C14 B2 B1 B5 34.8(2) . . . . ?
B7 B2 B1 B5 -63.4(3) . . . . ?
B3 B2 B1 B5 -101.2(3) . . . . ?
B6 B2 B1 B5 -0.2(3) . . . . ?
C14 B2 B1 B3 135.9(2) . . . . ?
B7 B2 B1 B3 37.8(2) . . . . ?
B6 B2 B1 B3 101.0(3) . . . . ?
C1 C2 C3 C4 1.8(4) . . . . ?
C14 C2 C3 C4 177.6(3) . . . . ?
C14 B1 B3 B8 -62.7(3) . . . . ?
B4 B1 B3 B8 37.5(2) . . . . ?
B5 B1 B3 B8 -0.6(3) . . . . ?
B2 B1 B3 B8 -100.8(3) . . . . ?
C14 B1 B3 B2 38.1(2) . . . . ?
B4 B1 B3 B2 138.3(2) . . . . ?
B5 B1 B3 B2 100.2(2) . . . . ?
C14 B1 B3 B7 0.7(3) . . . . ?
B4 B1 B3 B7 100.9(3) . . . . ?
B5 B1 B3 B7 62.9(3) . . . . ?
B2 B1 B3 B7 -37.4(2) . . . . ?
C14 B1 B3 B4 -100.2(3) . . . . ?
B5 B1 B3 B4 -38.1(2) . . . . ?
B2 B1 B3 B4 -138.3(2) . . . . ?
C14 B2 B3 B8 62.7(3) . . . . ?
B7 B2 B3 B8 -37.1(2) . . . . ?
B1 B2 B3 B8 100.8(3) . . . . ?
B6 B2 B3 B8 0.7(3) . . . . ?
C14 B2 B3 B1 -38.1(2) . . . . ?
B7 B2 B3 B1 -137.8(3) . . . . ?
B6 B2 B3 B1 -100.0(2) . . . . ?
C14 B2 B3 B7 99.8(2) . . . . ?
B1 B2 B3 B7 137.8(3) . . . . ?
B6 B2 B3 B7 37.8(2) . . . . ?
C14 B2 B3 B4 -1.0(3) . . . . ?
B7 B2 B3 B4 -100.8(3) . . . . ?
B1 B2 B3 B4 37.0(2) . . . . ?
B6 B2 B3 B4 -63.0(3) . . . . ?
C2 C3 C4 C11 0.2(5) . . . . ?
C14 B1 B4 B5 -38.2(2) . . . . ?
B3 B1 B4 B5 -137.4(2) . . . . ?
B2 B1 B4 B5 -100.0(2) . . . . ?
C14 B1 B4 B9 -0.9(3) . . . . ?
B5 B1 B4 B9 37.3(2) . . . . ?
B3 B1 B4 B9 -100.1(3) . . . . ?
B2 B1 B4 B9 -62.6(3) . . . . ?
C14 B1 B4 B8 62.3(3) . . . . ?
B5 B1 B4 B8 100.5(2) . . . . ?
B3 B1 B4 B8 -36.9(2) . . . . ?
B2 B1 B4 B8 0.6(3) . . . . ?
C14 B1 B4 B3 99.2(2) . . . . ?
B5 B1 B4 B3 137.4(2) . . . . ?
B2 B1 B4 B3 37.5(2) . . . . ?
B8 B3 B4 B1 -138.2(2) . . . . ?
B2 B3 B4 B1 -37.2(2) . . . . ?
B7 B3 B4 B1 -100.2(3) . . . . ?
B8 B3 B4 B5 -100.3(3) . . . . ?
B1 B3 B4 B5 37.9(2) . . . . ?
B2 B3 B4 B5 0.6(3) . . . . ?
B7 B3 B4 B5 -62.3(3) . . . . ?
B8 B3 B4 B9 -37.3(2) . . . . ?
B1 B3 B4 B9 100.9(2) . . . . ?
B2 B3 B4 B9 63.7(3) . . . . ?
B7 B3 B4 B9 0.7(3) . . . . ?
B1 B3 B4 B8 138.2(2) . . . . ?
B2 B3 B4 B8 101.0(3) . . . . ?
B7 B3 B4 B8 38.0(2) . . . . ?
B4 B1 B5 C14 -136.3(2) . . . . ?
B3 B1 B5 C14 -98.0(2) . . . . ?
B2 B1 B5 C14 -34.5(2) . . . . ?
C14 B1 B5 C15 36.98(19) . . . . ?
B4 B1 B5 C15 -99.3(2) . . . . ?
B3 B1 B5 C15 -61.0(3) . . . . ?
B2 B1 B5 C15 2.5(3) . . . . ?
C14 B1 B5 B9 98.8(2) . . . . ?
B4 B1 B5 B9 -37.5(2) . . . . ?
B3 B1 B5 B9 0.8(3) . . . . ?
B2 B1 B5 B9 64.2(3) . . . . ?
C14 B1 B5 B4 136.3(2) . . . . ?
B3 B1 B5 B4 38.3(2) . . . . ?
B2 B1 B5 B4 101.8(3) . . . . ?
B1 B4 B5 C14 37.8(2) . . . . ?
B9 B4 B5 C14 -100.3(2) . . . . ?
B8 B4 B5 C14 -62.5(3) . . . . ?
B3 B4 B5 C14 0.0(3) . . . . ?
B1 B4 B5 C15 100.6(2) . . . . ?
B9 B4 B5 C15 -37.5(2) . . . . ?
B8 B4 B5 C15 0.3(3) . . . . ?
B3 B4 B5 C15 62.8(3) . . . . ?
B1 B4 B5 B9 138.1(2) . . . . ?
B8 B4 B5 B9 37.8(2) . . . . ?
B3 B4 B5 B9 100.3(3) . . . . ?
B9 B4 B5 B1 -138.1(2) . . . . ?
B8 B4 B5 B1 -100.3(3) . . . . ?
B3 B4 B5 B1 -37.8(2) . . . . ?
C12 C5 C6 C7 -0.6(5) . . . . ?
C14 B2 B6 C15 -36.93(19) . . . . ?
B7 B2 B6 C15 98.9(2) . . . . ?
B1 B2 B6 C15 -2.2(3) . . . . ?
B3 B2 B6 C15 61.0(3) . . . . ?
B7 B2 B6 C14 135.9(2) . . . . ?
B1 B2 B6 C14 34.8(2) . . . . ?
B3 B2 B6 C14 97.9(2) . . . . ?
C14 B2 B6 B10 -98.9(2) . . . . ?
B7 B2 B6 B10 37.0(2) . . . . ?
B1 B2 B6 B10 -64.1(3) . . . . ?
B3 B2 B6 B10 -1.0(3) . . . . ?
C14 B2 B6 B7 -135.9(2) . . . . ?
B1 B2 B6 B7 -101.1(3) . . . . ?
B3 B2 B6 B7 -38.0(2) . . . . ?
C5 C6 C7 C8 0.1(5) . . . . ?
C14 B2 B7 B10 1.0(3) . . . . ?
B1 B2 B7 B10 62.6(3) . . . . ?
B3 B2 B7 B10 100.2(3) . . . . ?
B6 B2 B7 B10 -37.4(2) . . . . ?
C14 B2 B7 B6 38.4(2) . . . . ?
B1 B2 B7 B6 100.0(2) . . . . ?
B3 B2 B7 B6 137.6(3) . . . . ?
C14 B2 B7 B8 -62.3(3) . . . . ?
B1 B2 B7 B8 -0.7(3) . . . . ?
B3 B2 B7 B8 36.9(2) . . . . ?
B6 B2 B7 B8 -100.7(3) . . . . ?
C14 B2 B7 B3 -99.1(3) . . . . ?
B1 B2 B7 B3 -37.6(2) . . . . ?
B6 B2 B7 B3 -137.6(3) . . . . ?
C15 B6 B7 B10 37.8(2) . . . . ?
C14 B6 B7 B10 100.5(2) . . . . ?
B2 B6 B7 B10 138.3(2) . . . . ?
C15 B6 B7 B2 -100.5(2) . . . . ?
C14 B6 B7 B2 -37.8(2) . . . . ?
B10 B6 B7 B2 -138.3(2) . . . . ?
C15 B6 B7 B8 0.5(3) . . . . ?
C14 B6 B7 B8 63.2(3) . . . . ?
B10 B6 B7 B8 -37.3(2) . . . . ?
B2 B6 B7 B8 101.0(3) . . . . ?
C15 B6 B7 B3 -62.5(3) . . . . ?
C14 B6 B7 B3 0.2(3) . . . . ?
B10 B6 B7 B3 -100.3(3) . . . . ?
B2 B6 B7 B3 38.0(2) . . . . ?
B8 B3 B7 B10 37.0(2) . . . . ?
B1 B3 B7 B10 -64.0(3) . . . . ?
B2 B3 B7 B10 -101.6(3) . . . . ?
B4 B3 B7 B10 -1.1(3) . . . . ?
B8 B3 B7 B2 138.6(3) . . . . ?
B1 B3 B7 B2 37.6(2) . . . . ?
B4 B3 B7 B2 100.5(3) . . . . ?
B8 B3 B7 B6 100.5(3) . . . . ?
B1 B3 B7 B6 -0.6(3) . . . . ?
B2 B3 B7 B6 -38.1(2) . . . . ?
B4 B3 B7 B6 62.3(3) . . . . ?
B1 B3 B7 B8 -101.0(3) . . . . ?
B2 B3 B7 B8 -138.6(3) . . . . ?
B4 B3 B7 B8 -38.1(2) . . . . ?
C6 C7 C8 C13 0.5(6) . . . . ?
B1 B3 B8 B10 63.2(3) . . . . ?
B2 B3 B8 B10 -0.2(3) . . . . ?
B7 B3 B8 B10 -37.1(2) . . . . ?
B4 B3 B8 B10 100.4(3) . . . . ?
B1 B3 B8 B9 0.2(3) . . . . ?
B2 B3 B8 B9 -63.3(3) . . . . ?
B7 B3 B8 B9 -100.1(3) . . . . ?
B4 B3 B8 B9 37.3(2) . . . . ?
B1 B3 B8 B7 100.3(3) . . . . ?
B2 B3 B8 B7 36.8(2) . . . . ?
B4 B3 B8 B7 137.5(2) . . . . ?
B1 B3 B8 B4 -37.2(2) . . . . ?
B2 B3 B8 B4 -100.6(3) . . . . ?
B7 B3 B8 B4 -137.5(2) . . . . ?
B2 B7 B8 B10 101.3(2) . . . . ?
B6 B7 B8 B10 37.5(2) . . . . ?
B3 B7 B8 B10 138.4(2) . . . . ?
B10 B7 B8 B3 -138.4(2) . . . . ?
B2 B7 B8 B3 -37.1(2) . . . . ?
B6 B7 B8 B3 -101.0(3) . . . . ?
B10 B7 B8 B9 -37.3(2) . . . . ?
B2 B7 B8 B9 64.0(3) . . . . ?
B6 B7 B8 B9 0.1(3) . . . . ?
B3 B7 B8 B9 101.1(3) . . . . ?
B10 B7 B8 B4 -100.2(2) . . . . ?
B2 B7 B8 B4 1.1(3) . . . . ?
B6 B7 B8 B4 -62.8(3) . . . . ?
B3 B7 B8 B4 38.2(2) . . . . ?
B1 B4 B8 B10 -64.1(3) . . . . ?
B5 B4 B8 B10 -0.9(3) . . . . ?
B9 B4 B8 B10 36.9(2) . . . . ?
B3 B4 B8 B10 -101.2(3) . . . . ?
B1 B4 B8 B3 37.1(2) . . . . ?
B5 B4 B8 B3 100.3(3) . . . . ?
B9 B4 B8 B3 138.0(2) . . . . ?
B1 B4 B8 B9 -100.9(3) . . . . ?
B5 B4 B8 B9 -37.7(2) . . . . ?
B3 B4 B8 B9 -138.0(2) . . . . ?
B1 B4 B8 B7 -1.0(3) . . . . ?
B5 B4 B8 B7 62.2(3) . . . . ?
B9 B4 B8 B7 99.9(3) . . . . ?
B3 B4 B8 B7 -38.1(2) . . . . ?
C14 B5 B9 C15 -37.8(2) . . . . ?
B1 B5 B9 C15 -99.3(2) . . . . ?
B4 B5 B9 C15 -136.8(2) . . . . ?
C14 B5 B9 B10 -2.3(3) . . . . ?
C15 B5 B9 B10 35.5(2) . . . . ?
B1 B5 B9 B10 -63.9(3) . . . . ?
B4 B5 B9 B10 -101.3(3) . . . . ?
C14 B5 B9 B4 99.0(3) . . . . ?
C15 B5 B9 B4 136.8(2) . . . . ?
B1 B5 B9 B4 37.5(2) . . . . ?
C14 B5 B9 B8 60.9(3) . . . . ?
C15 B5 B9 B8 98.7(2) . . . . ?
B1 B5 B9 B8 -0.7(3) . . . . ?
B4 B5 B9 B8 -38.1(2) . . . . ?
B1 B4 B9 C15 0.6(3) . . . . ?
B5 B4 B9 C15 38.0(2) . . . . ?
B8 B4 B9 C15 -99.5(2) . . . . ?
B3 B4 B9 C15 -62.5(3) . . . . ?
B1 B4 B9 B10 63.0(3) . . . . ?
B5 B4 B9 B10 100.4(2) . . . . ?
B8 B4 B9 B10 -37.1(2) . . . . ?
B3 B4 B9 B10 0.0(3) . . . . ?
B1 B4 B9 B5 -37.4(2) . . . . ?
B8 B4 B9 B5 -137.5(3) . . . . ?
B3 B4 B9 B5 -100.5(3) . . . . ?
B1 B4 B9 B8 100.1(3) . . . . ?
B5 B4 B9 B8 137.5(3) . . . . ?
B3 B4 B9 B8 37.1(2) . . . . ?
B10 B8 B9 C15 -38.1(2) . . . . ?
B3 B8 B9 C15 62.8(3) . . . . ?
B7 B8 B9 C15 -0.8(3) . . . . ?
B4 B8 B9 C15 100.5(2) . . . . ?
B3 B8 B9 B10 100.9(3) . . . . ?
B7 B8 B9 B10 37.3(2) . . . . ?
B4 B8 B9 B10 138.5(3) . . . . ?
B10 B8 B9 B5 -100.6(2) . . . . ?
B3 B8 B9 B5 0.3(3) . . . . ?
B7 B8 B9 B5 -63.3(3) . . . . ?
B4 B8 B9 B5 38.0(2) . . . . ?
B10 B8 B9 B4 -138.5(3) . . . . ?
B3 B8 B9 B4 -37.6(2) . . . . ?
B7 B8 B9 B4 -101.2(3) . . . . ?
C2 C1 C10 C11 2.4(4) . . . . ?
C2 C1 C10 C9 -177.1(3) . . . . ?
C13 C9 C10 C1 -178.3(3) . . . . ?
C26 C9 C10 C1 -58.8(4) . . . . ?
C27 C9 C10 C1 64.6(4) . . . . ?
C13 C9 C10 C11 2.2(3) . . . . ?
C26 C9 C10 C11 121.7(3) . . . . ?
C27 C9 C10 C11 -114.9(3) . . . . ?
B5 B9 B10 C15 -35.6(2) . . . . ?
B4 B9 B10 C15 -99.1(2) . . . . ?
B8 B9 B10 C15 -136.5(2) . . . . ?
C15 B9 B10 B7 98.4(2) . . . . ?
B5 B9 B10 B7 62.9(3) . . . . ?
B4 B9 B10 B7 -0.7(3) . . . . ?
B8 B9 B10 B7 -38.0(2) . . . . ?
C15 B9 B10 B8 136.5(2) . . . . ?
B5 B9 B10 B8 100.9(3) . . . . ?
B4 B9 B10 B8 37.4(2) . . . . ?
C15 B9 B10 B6 34.7(2) . . . . ?
B5 B9 B10 B6 -0.9(3) . . . . ?
B4 B9 B10 B6 -64.4(3) . . . . ?
B8 B9 B10 B6 -101.8(3) . . . . ?
B2 B7 B10 C15 -0.5(3) . . . . ?
B6 B7 B10 C15 -38.0(2) . . . . ?
B8 B7 B10 C15 100.1(2) . . . . ?
B3 B7 B10 C15 63.1(3) . . . . ?
B2 B7 B10 B9 -62.5(3) . . . . ?
B6 B7 B10 B9 -100.1(2) . . . . ?
B8 B7 B10 B9 38.0(2) . . . . ?
B3 B7 B10 B9 1.1(3) . . . . ?
B2 B7 B10 B8 -100.5(3) . . . . ?
B6 B7 B10 B8 -138.1(2) . . . . ?
B3 B7 B10 B8 -36.9(2) . . . . ?
B2 B7 B10 B6 37.6(2) . . . . ?
B8 B7 B10 B6 138.1(2) . . . . ?
B3 B7 B10 B6 101.2(3) . . . . ?
B3 B8 B10 C15 -62.6(3) . . . . ?
B9 B8 B10 C15 38.0(2) . . . . ?
B7 B8 B10 C15 -99.9(2) . . . . ?
B4 B8 B10 C15 1.1(3) . . . . ?
B3 B8 B10 B9 -100.6(3) . . . . ?
B7 B8 B10 B9 -137.9(2) . . . . ?
B4 B8 B10 B9 -36.9(2) . . . . ?
B3 B8 B10 B7 37.3(2) . . . . ?
B9 B8 B10 B7 137.9(2) . . . . ?
B4 B8 B10 B7 101.1(3) . . . . ?
B3 B8 B10 B6 -0.4(3) . . . . ?
B9 B8 B10 B6 100.2(2) . . . . ?
B7 B8 B10 B6 -37.7(2) . . . . ?
B4 B8 B10 B6 63.3(3) . . . . ?
C14 B6 B10 C15 38.3(2) . . . . ?
B7 B6 B10 C15 136.5(2) . . . . ?
B2 B6 B10 C15 99.5(2) . . . . ?
C15 B6 B10 B9 -34.6(2) . . . . ?
C14 B6 B10 B9 3.8(3) . . . . ?
B7 B6 B10 B9 101.9(3) . . . . ?
B2 B6 B10 B9 64.9(3) . . . . ?
C15 B6 B10 B7 -136.5(2) . . . . ?
C14 B6 B10 B7 -98.1(2) . . . . ?
B2 B6 B10 B7 -37.0(2) . . . . ?
C15 B6 B10 B8 -98.6(2) . . . . ?
C14 B6 B10 B8 -60.3(3) . . . . ?
B7 B6 B10 B8 37.8(2) . . . . ?
B2 B6 B10 B8 0.9(3) . . . . ?
C3 C4 C11 C10 -0.9(4) . . . . ?
C3 C4 C11 C12 -179.4(3) . . . . ?
C1 C10 C11 C4 -0.4(4) . . . . ?
C9 C10 C11 C4 179.1(3) . . . . ?
C1 C10 C11 C12 178.5(3) . . . . ?
C9 C10 C11 C12 -2.0(3) . . . . ?
C6 C5 C12 C13 0.5(5) . . . . ?
C6 C5 C12 C11 179.3(3) . . . . ?
C4 C11 C12 C13 179.6(3) . . . . ?
C10 C11 C12 C13 0.9(3) . . . . ?
C4 C11 C12 C5 0.7(6) . . . . ?
C10 C11 C12 C5 -178.0(3) . . . . ?
C7 C8 C13 C12 -0.5(5) . . . . ?
C7 C8 C13 C9 -180.0(3) . . . . ?
C5 C12 C13 C8 0.0(5) . . . . ?
C11 C12 C13 C8 -179.0(3) . . . . ?
C5 C12 C13 C9 179.6(3) . . . . ?
C11 C12 C13 C9 0.6(3) . . . . ?
C10 C9 C13 C8 177.9(3) . . . . ?
C26 C9 C13 C8 58.2(4) . . . . ?
C27 C9 C13 C8 -65.2(4) . . . . ?
C10 C9 C13 C12 -1.6(3) . . . . ?
C26 C9 C13 C12 -121.3(3) . . . . ?
C27 C9 C13 C12 115.3(3) . . . . ?
C1 C2 C14 B2 55.4(4) . . . . ?
C3 C2 C14 B2 -120.4(3) . . . . ?
C1 C2 C14 B1 128.7(3) . . . . ?
C3 C2 C14 B1 -47.1(4) . . . . ?
C1 C2 C14 B5 -159.2(3) . . . . ?
C3 C2 C14 B5 25.1(4) . . . . ?
C1 C2 C14 B6 -18.1(4) . . . . ?
C3 C2 C14 B6 166.1(3) . . . . ?
C1 C2 C14 C15 -88.8(3) . . . . ?
C3 C2 C14 C15 95.5(3) . . . . ?
B7 B2 C14 C2 -149.0(2) . . . . ?
B1 B2 C14 C2 109.5(3) . . . . ?
B3 B2 C14 C2 148.1(2) . . . . ?
B6 B2 C14 C2 -110.2(3) . . . . ?
B7 B2 C14 B1 101.5(3) . . . . ?
B3 B2 C14 B1 38.6(2) . . . . ?
B6 B2 C14 B1 140.4(2) . . . . ?
B7 B2 C14 B5 64.0(3) . . . . ?
B1 B2 C14 B5 -37.6(2) . . . . ?
B3 B2 C14 B5 1.1(3) . . . . ?
B6 B2 C14 B5 102.8(2) . . . . ?
B7 B2 C14 B6 -38.8(2) . . . . ?
B1 B2 C14 B6 -140.4(2) . . . . ?
B3 B2 C14 B6 -101.7(2) . . . . ?
B7 B2 C14 C15 -1.2(3) . . . . ?
B1 B2 C14 C15 -102.8(2) . . . . ?
B3 B2 C14 C15 -64.1(3) . . . . ?
B6 B2 C14 C15 37.6(2) . . . . ?
B4 B1 C14 C2 147.3(3) . . . . ?
B5 B1 C14 C2 108.7(3) . . . . ?
B3 B1 C14 C2 -149.4(3) . . . . ?
B2 B1 C14 C2 -110.6(3) . . . . ?
B4 B1 C14 B2 -102.1(3) . . . . ?
B5 B1 C14 B2 -140.7(2) . . . . ?
B3 B1 C14 B2 -38.8(2) . . . . ?
B4 B1 C14 B5 38.6(2) . . . . ?
B3 B1 C14 B5 101.9(3) . . . . ?
B2 B1 C14 B5 140.7(2) . . . . ?
B4 B1 C14 B6 -64.0(3) . . . . ?
B5 B1 C14 B6 -102.6(2) . . . . ?
B3 B1 C14 B6 -0.6(3) . . . . ?
B2 B1 C14 B6 38.2(2) . . . . ?
B4 B1 C14 C15 0.9(3) . . . . ?
B5 B1 C14 C15 -37.7(2) . . . . ?
B3 B1 C14 C15 64.2(3) . . . . ?
B2 B1 C14 C15 103.0(2) . . . . ?
C15 B5 C14 C2 111.8(3) . . . . ?
B9 B5 C14 C2 148.9(2) . . . . ?
B1 B5 C14 C2 -109.8(3) . . . . ?
B4 B5 C14 C2 -148.2(2) . . . . ?
C15 B5 C14 B2 -100.6(2) . . . . ?
B9 B5 C14 B2 -63.6(3) . . . . ?
B1 B5 C14 B2 37.8(2) . . . . ?
B4 B5 C14 B2 -0.7(3) . . . . ?
C15 B5 C14 B1 -138.4(2) . . . . ?
B9 B5 C14 B1 -101.3(3) . . . . ?
B4 B5 C14 B1 -38.5(2) . . . . ?
C15 B5 C14 B6 -32.3(2) . . . . ?
B9 B5 C14 B6 4.8(3) . . . . ?
B1 B5 C14 B6 106.2(2) . . . . ?
B4 B5 C14 B6 67.7(3) . . . . ?
B9 B5 C14 C15 37.1(2) . . . . ?
B1 B5 C14 C15 138.4(2) . . . . ?
B4 B5 C14 C15 100.0(2) . . . . ?
C15 B6 C14 C2 -111.2(3) . . . . ?
B10 B6 C14 C2 -148.9(2) . . . . ?
B7 B6 C14 C2 148.8(3) . . . . ?
B2 B6 C14 C2 110.3(3) . . . . ?
C15 B6 C14 B2 138.5(2) . . . . ?
B10 B6 C14 B2 100.7(2) . . . . ?
B7 B6 C14 B2 38.5(2) . . . . ?
C15 B6 C14 B1 100.3(2) . . . . ?
B10 B6 C14 B1 62.5(3) . . . . ?
B7 B6 C14 B1 0.3(3) . . . . ?
B2 B6 C14 B1 -38.2(2) . . . . ?
C15 B6 C14 B5 32.4(2) . . . . ?
B10 B6 C14 B5 -5.4(3) . . . . ?
B7 B6 C14 B5 -67.6(3) . . . . ?
B2 B6 C14 B5 -106.1(2) . . . . ?
B10 B6 C14 C15 -37.8(2) . . . . ?
B7 B6 C14 C15 -100.0(2) . . . . ?
B2 B6 C14 C15 -138.5(2) . . . . ?
B5 B9 C15 B10 140.0(2) . . . . ?
B4 B9 C15 B10 101.7(3) . . . . ?
B8 B9 C15 B10 38.3(2) . . . . ?
B10 B9 C15 B6 -37.2(2) . . . . ?
B5 B9 C15 B6 102.8(2) . . . . ?
B4 B9 C15 B6 64.5(3) . . . . ?
B8 B9 C15 B6 1.1(3) . . . . ?
B10 B9 C15 C14 -101.8(2) . . . . ?
B5 B9 C15 C14 38.2(2) . . . . ?
B4 B9 C15 C14 -0.1(3) . . . . ?
B8 B9 C15 C14 -63.4(3) . . . . ?
B10 B9 C15 B5 -140.0(2) . . . . ?
B4 B9 C15 B5 -38.3(2) . . . . ?
B8 B9 C15 B5 -101.6(3) . . . . ?
B10 B9 C15 Si28 109.6(2) . . . . ?
B5 B9 C15 Si28 -110.4(2) . . . . ?
B4 B9 C15 Si28 -148.73(19) . . . . ?
B8 B9 C15 Si28 147.95(19) . . . . ?
B7 B10 C15 B9 -102.2(3) . . . . ?
B8 B10 C15 B9 -38.7(2) . . . . ?
B6 B10 C15 B9 -140.8(2) . . . . ?
B9 B10 C15 B6 140.8(2) . . . . ?
B7 B10 C15 B6 38.6(2) . . . . ?
B8 B10 C15 B6 102.1(3) . . . . ?
B9 B10 C15 C14 101.9(2) . . . . ?
B7 B10 C15 C14 -0.3(3) . . . . ?
B8 B10 C15 C14 63.2(3) . . . . ?
B6 B10 C15 C14 -38.9(2) . . . . ?
B9 B10 C15 B5 37.7(2) . . . . ?
B7 B10 C15 B5 -64.4(3) . . . . ?
B8 B10 C15 B5 -1.0(3) . . . . ?
B6 B10 C15 B5 -103.1(2) . . . . ?
B9 B10 C15 Si28 -108.3(2) . . . . ?
B7 B10 C15 Si28 149.5(2) . . . . ?
B8 B10 C15 Si28 -147.1(2) . . . . ?
B6 B10 C15 Si28 110.9(2) . . . . ?
C14 B6 C15 B9 -99.5(2) . . . . ?
B10 B6 C15 B9 37.1(2) . . . . ?
B7 B6 C15 B9 -1.0(3) . . . . ?
B2 B6 C15 B9 -63.5(3) . . . . ?
C14 B6 C15 B10 -136.7(2) . . . . ?
B7 B6 C15 B10 -38.2(2) . . . . ?
B2 B6 C15 B10 -100.6(2) . . . . ?
B10 B6 C15 C14 136.7(2) . . . . ?
B7 B6 C15 C14 98.5(2) . . . . ?
B2 B6 C15 C14 36.07(19) . . . . ?
C14 B6 C15 B5 -32.2(2) . . . . ?
B10 B6 C15 B5 104.5(2) . . . . ?
B7 B6 C15 B5 66.3(3) . . . . ?
B2 B6 C15 B5 3.8(3) . . . . ?
C14 B6 C15 Si28 114.4(2) . . . . ?
B10 B6 C15 Si28 -108.9(2) . . . . ?
B7 B6 C15 Si28 -147.09(19) . . . . ?
B2 B6 C15 Si28 150.48(19) . . . . ?
C2 C14 C15 B9 -146.0(2) . . . . ?
B2 C14 C15 B9 66.8(3) . . . . ?
B1 C14 C15 B9 -0.5(3) . . . . ?
B5 C14 C15 B9 -39.2(2) . . . . ?
B6 C14 C15 B9 105.7(2) . . . . ?
C2 C14 C15 B10 148.1(2) . . . . ?
B2 C14 C15 B10 1.0(3) . . . . ?
B1 C14 C15 B10 -66.4(3) . . . . ?
B5 C14 C15 B10 -105.0(2) . . . . ?
B6 C14 C15 B10 39.8(2) . . . . ?
C2 C14 C15 B6 108.3(3) . . . . ?
B2 C14 C15 B6 -38.8(2) . . . . ?
B1 C14 C15 B6 -106.2(2) . . . . ?
B5 C14 C15 B6 -144.8(2) . . . . ?
C2 C14 C15 B5 -106.8(3) . . . . ?
B2 C14 C15 B5 106.0(2) . . . . ?
B1 C14 C15 B5 38.7(2) . . . . ?
B6 C14 C15 B5 144.8(2) . . . . ?
C2 C14 C15 Si28 0.3(3) . . . . ?
B2 C14 C15 Si28 -146.8(2) . . . . ?
B1 C14 C15 Si28 145.8(2) . . . . ?
B5 C14 C15 Si28 107.2(2) . . . . ?
B6 C14 C15 Si28 -108.0(2) . . . . ?
C14 B5 C15 B9 137.4(2) . . . . ?
B1 B5 C15 B9 101.1(3) . . . . ?
B4 B5 C15 B9 38.2(2) . . . . ?
C14 B5 C15 B10 99.6(2) . . . . ?
B9 B5 C15 B10 -37.8(2) . . . . ?
B1 B5 C15 B10 63.3(3) . . . . ?
B4 B5 C15 B10 0.5(3) . . . . ?
C14 B5 C15 B6 32.3(2) . . . . ?
B9 B5 C15 B6 -105.1(2) . . . . ?
B1 B5 C15 B6 -4.0(3) . . . . ?
B4 B5 C15 B6 -66.9(3) . . . . ?
B9 B5 C15 C14 -137.4(2) . . . . ?
B1 B5 C15 C14 -36.3(2) . . . . ?
B4 B5 C15 C14 -99.2(2) . . . . ?
C14 B5 C15 Si28 -114.5(2) . . . . ?
B9 B5 C15 Si28 108.1(2) . . . . ?
B1 B5 C15 Si28 -150.82(19) . . . . ?
B4 B5 C15 Si28 146.3(2) . . . . ?
C33 Si28 C29 C30 -31.1(3) . . . . ?
C31 Si28 C29 C30 -151.6(3) . . . . ?
C15 Si28 C29 C30 92.4(3) . . . . ?
C33 Si28 C31 C32 42.7(3) . . . . ?
C29 Si28 C31 C32 164.3(2) . . . . ?
C15 Si28 C31 C32 -78.5(3) . . . . ?
C29 Si28 C33 C34 -65.6(3) . . . . ?
C31 Si28 C33 C34 54.7(3) . . . . ?
C15 Si28 C33 C34 172.8(2) . . . . ?
C55 C41 C42 B51 -147.1(2) . . . . ?
B44 C41 C42 B51 -0.6(3) . . . . ?
B45 C41 C42 B51 66.9(3) . . . . ?
B43 C41 C42 B51 -39.1(2) . . . . ?
B46 C41 C42 B51 105.4(2) . . . . ?
C55 C41 C42 B46 107.5(3) . . . . ?
B44 C41 C42 B46 -106.0(2) . . . . ?
B45 C41 C42 B46 -38.6(2) . . . . ?
B43 C41 C42 B46 -144.5(2) . . . . ?
C55 C41 C42 B47 147.1(2) . . . . ?
B44 C41 C42 B47 -66.4(3) . . . . ?
B45 C41 C42 B47 1.0(3) . . . . ?
B43 C41 C42 B47 -105.0(2) . . . . ?
B46 C41 C42 B47 39.6(2) . . . . ?
C55 C41 C42 B43 -108.0(3) . . . . ?
B44 C41 C42 B43 38.5(2) . . . . ?
B45 C41 C42 B43 106.0(2) . . . . ?
B46 C41 C42 B43 144.5(2) . . . . ?
C55 C41 C42 Si68 -2.0(3) . . . . ?
B44 C41 C42 Si68 144.5(2) . . . . ?
B45 C41 C42 Si68 -148.0(2) . . . . ?
B43 C41 C42 Si68 106.0(2) . . . . ?
B46 C41 C42 Si68 -109.5(2) . . . . ?
C55 C41 B43 C42 110.7(3) . . . . ?
B44 C41 B43 C42 -138.5(2) . . . . ?
B45 C41 B43 C42 -100.6(2) . . . . ?
B46 C41 B43 C42 -32.3(2) . . . . ?
C55 C41 B43 B50 -149.3(2) . . . . ?
B44 C41 B43 B50 -38.5(2) . . . . ?
B45 C41 B43 B50 -0.5(3) . . . . ?
B46 C41 B43 B50 67.7(3) . . . . ?
C42 C41 B43 B50 100.0(2) . . . . ?
C55 C41 B43 B44 -110.8(3) . . . . ?
B45 C41 B43 B44 37.9(2) . . . . ?
B46 C41 B43 B44 106.2(2) . . . . ?
C42 C41 B43 B44 138.5(2) . . . . ?
C55 C41 B43 B51 147.6(2) . . . . ?
B44 C41 B43 B51 -101.5(3) . . . . ?
B45 C41 B43 B51 -63.6(3) . . . . ?
B46 C41 B43 B51 4.6(3) . . . . ?
C42 C41 B43 B51 37.0(2) . . . . ?
B51 C42 B43 C41 137.6(2) . . . . ?
B46 C42 B43 C41 32.6(2) . . . . ?
B47 C42 B43 C41 99.5(2) . . . . ?
Si68 C42 B43 C41 -115.4(2) . . . . ?
B51 C42 B43 B50 38.3(2) . . . . ?
B46 C42 B43 B50 -66.7(3) . . . . ?
B47 C42 B43 B50 0.3(3) . . . . ?
C41 C42 B43 B50 -99.2(2) . . . . ?
Si68 C42 B43 B50 145.3(2) . . . . ?
B51 C42 B43 B44 101.5(3) . . . . ?
B46 C42 B43 B44 -3.5(3) . . . . ?
B47 C42 B43 B44 63.5(3) . . . . ?
C41 C42 B43 B44 -36.1(2) . . . . ?
Si68 C42 B43 B44 -151.5(2) . . . . ?
B46 C42 B43 B51 -105.0(3) . . . . ?
B47 C42 B43 B51 -38.0(2) . . . . ?
C41 C42 B43 B51 -137.6(2) . . . . ?
Si68 C42 B43 B51 107.0(2) . . . . ?
C55 C41 B44 B43 109.3(3) . . . . ?
B45 C41 B44 B43 -140.6(2) . . . . ?
B46 C41 B44 B43 -102.0(2) . . . . ?
C42 C41 B44 B43 -37.5(2) . . . . ?
C55 C41 B44 B49 -149.0(3) . . . . ?
B45 C41 B44 B49 -38.9(2) . . . . ?
B43 C41 B44 B49 101.7(3) . . . . ?
B46 C41 B44 B49 -0.2(3) . . . . ?
C42 C41 B44 B49 64.2(3) . . . . ?
C55 C41 B44 B50 147.7(3) . . . . ?
B45 C41 B44 B50 -102.2(3) . . . . ?
B43 C41 B44 B50 38.5(2) . . . . ?
B46 C41 B44 B50 -63.5(3) . . . . ?
C42 C41 B44 B50 0.9(3) . . . . ?
C55 C41 B44 B45 -110.1(3) . . . . ?
B43 C41 B44 B45 140.6(2) . . . . ?
B46 C41 B44 B45 38.7(2) . . . . ?
C42 C41 B44 B45 103.1(2) . . . . ?
C42 B43 B44 C41 37.0(2) . . . . ?
B50 B43 B44 C41 136.4(2) . . . . ?
B51 B43 B44 C41 98.8(2) . . . . ?
C41 B43 B44 B49 -98.7(2) . . . . ?
C42 B43 B44 B49 -61.7(3) . . . . ?
B50 B43 B44 B49 37.7(2) . . . . ?
B51 B43 B44 B49 0.1(3) . . . . ?
C41 B43 B44 B50 -136.4(2) . . . . ?
C42 B43 B44 B50 -99.4(2) . . . . ?
B51 B43 B44 B50 -37.6(2) . . . . ?
C41 B43 B44 B45 -34.8(2) . . . . ?
C42 B43 B44 B45 2.2(3) . . . . ?
B50 B43 B44 B45 101.6(3) . . . . ?
B51 B43 B44 B45 64.0(3) . . . . ?
C55 C41 B45 B48 -147.8(2) . . . . ?
B44 C41 B45 B48 101.3(3) . . . . ?
B43 C41 B45 B48 63.6(3) . . . . ?
B46 C41 B45 B48 -38.5(2) . . . . ?
C42 C41 B45 B48 -1.3(3) . . . . ?
C55 C41 B45 B44 110.9(3) . . . . ?
B43 C41 B45 B44 -37.7(2) . . . . ?
B46 C41 B45 B44 -139.8(2) . . . . ?
C42 C41 B45 B44 -102.6(2) . . . . ?
C55 C41 B45 B49 149.2(2) . . . . ?
B44 C41 B45 B49 38.3(2) . . . . ?
B43 C41 B45 B49 0.7(3) . . . . ?
B46 C41 B45 B49 -101.5(2) . . . . ?
C42 C41 B45 B49 -64.3(3) . . . . ?
C55 C41 B45 B46 -109.3(3) . . . . ?
B44 C41 B45 B46 139.8(2) . . . . ?
B43 C41 B45 B46 102.1(2) . . . . ?
C42 C41 B45 B46 37.2(2) . . . . ?
B43 B44 B45 C41 35.1(2) . . . . ?
B49 B44 B45 C41 136.1(2) . . . . ?
B50 B44 B45 C41 98.5(3) . . . . ?
C41 B44 B45 B48 -98.3(2) . . . . ?
B43 B44 B45 B48 -63.2(3) . . . . ?
B49 B44 B45 B48 37.8(2) . . . . ?
B50 B44 B45 B48 0.1(3) . . . . ?
C41 B44 B45 B49 -136.1(2) . . . . ?
B43 B44 B45 B49 -101.0(3) . . . . ?
B50 B44 B45 B49 -37.7(2) . . . . ?
C41 B44 B45 B46 -35.3(2) . . . . ?
B43 B44 B45 B46 -0.2(3) . . . . ?
B49 B44 B45 B46 100.8(3) . . . . ?
B50 B44 B45 B46 63.1(3) . . . . ?
B51 C42 B46 C41 -99.9(2) . . . . ?
B47 C42 B46 C41 -136.8(2) . . . . ?
B43 C42 B46 C41 -32.5(2) . . . . ?
Si68 C42 B46 C41 114.5(2) . . . . ?
B51 C42 B46 B47 36.9(2) . . . . ?
B43 C42 B46 B47 104.3(2) . . . . ?
C41 C42 B46 B47 136.8(2) . . . . ?
Si68 C42 B46 B47 -108.7(2) . . . . ?
B51 C42 B46 B48 -1.4(3) . . . . ?
B47 C42 B46 B48 -38.3(2) . . . . ?
B43 C42 B46 B48 65.9(3) . . . . ?
C41 C42 B46 B48 98.4(2) . . . . ?
Si68 C42 B46 B48 -147.03(19) . . . . ?
B51 C42 B46 B45 -64.0(3) . . . . ?
B47 C42 B46 B45 -100.9(2) . . . . ?
B43 C42 B46 B45 3.4(3) . . . . ?
C41 C42 B46 B45 35.86(19) . . . . ?
Si68 C42 B46 B45 150.38(19) . . . . ?
C55 C41 B46 C42 -110.7(3) . . . . ?
B44 C41 B46 C42 100.1(2) . . . . ?
B45 C41 B46 C42 138.8(2) . . . . ?
B43 C41 B46 C42 32.4(2) . . . . ?
C55 C41 B46 B47 -148.6(2) . . . . ?
B44 C41 B46 B47 62.1(3) . . . . ?
B45 C41 B46 B47 100.9(3) . . . . ?
B43 C41 B46 B47 -5.5(3) . . . . ?
C42 C41 B46 B47 -38.0(2) . . . . ?
C55 C41 B46 B48 148.6(2) . . . . ?
B44 C41 B46 B48 -0.6(3) . . . . ?
B45 C41 B46 B48 38.2(2) . . . . ?
B43 C41 B46 B48 -68.2(3) . . . . ?
C42 C41 B46 B48 -100.7(2) . . . . ?
C55 C41 B46 B45 110.5(3) . . . . ?
B44 C41 B46 B45 -38.7(2) . . . . ?
B43 C41 B46 B45 -106.4(2) . . . . ?
C42 C41 B46 B45 -138.8(2) . . . . ?
C41 B45 B46 C42 -36.8(2) . . . . ?
B48 B45 B46 C42 99.5(2) . . . . ?
B44 B45 B46 C42 -1.8(3) . . . . ?
B49 B45 B46 C42 60.8(3) . . . . ?
B48 B45 B46 C41 136.3(2) . . . . ?
B44 B45 B46 C41 35.0(2) . . . . ?
B49 B45 B46 C41 97.7(3) . . . . ?
C41 B45 B46 B47 -99.2(2) . . . . ?
B48 B45 B46 B47 37.1(2) . . . . ?
B44 B45 B46 B47 -64.2(3) . . . . ?
B49 B45 B46 B47 -1.6(3) . . . . ?
C41 B45 B46 B48 -136.3(2) . . . . ?
B44 B45 B46 B48 -101.3(3) . . . . ?
B49 B45 B46 B48 -38.6(2) . . . . ?
B51 C42 B47 B52 -38.9(2) . . . . ?
B46 C42 B47 B52 102.1(3) . . . . ?
B43 C42 B47 B52 -0.8(3) . . . . ?
C41 C42 B47 B52 63.3(3) . . . . ?
Si68 C42 B47 B52 -145.7(2) . . . . ?
B46 C42 B47 B51 141.0(2) . . . . ?
B43 C42 B47 B51 38.1(2) . . . . ?
C41 C42 B47 B51 102.2(2) . . . . ?
Si68 C42 B47 B51 -106.8(2) . . . . ?
B51 C42 B47 B46 -141.0(2) . . . . ?
B43 C42 B47 B46 -102.9(2) . . . . ?
C41 C42 B47 B46 -38.8(2) . . . . ?
Si68 C42 B47 B46 112.2(2) . . . . ?
B51 C42 B47 B48 -102.5(3) . . . . ?
B46 C42 B47 B48 38.5(2) . . . . ?
B43 C42 B47 B48 -64.4(3) . . . . ?
C41 C42 B47 B48 -0.3(3) . . . . ?
Si68 C42 B47 B48 150.7(2) . . . . ?
C41 B46 B47 C42 38.5(2) . . . . ?
B48 B46 B47 C42 136.7(2) . . . . ?
B45 B46 B47 C42 99.8(2) . . . . ?
C42 B46 B47 B52 -98.9(2) . . . . ?
C41 B46 B47 B52 -60.3(3) . . . . ?
B48 B46 B47 B52 37.8(2) . . . . ?
B45 B46 B47 B52 0.9(3) . . . . ?
C42 B46 B47 B51 -34.4(2) . . . . ?
C41 B46 B47 B51 4.2(3) . . . . ?
B48 B46 B47 B51 102.3(3) . . . . ?
B45 B46 B47 B51 65.4(3) . . . . ?
C42 B46 B47 B48 -136.7(2) . . . . ?
C41 B46 B47 B48 -98.1(2) . . . . ?
B45 B46 B47 B48 -36.9(2) . . . . ?
C42 B47 B48 B45 -0.5(3) . . . . ?
B52 B47 B48 B45 -100.8(3) . . . . ?
B51 B47 B48 B45 -62.5(3) . . . . ?
B46 B47 B48 B45 37.4(2) . . . . ?
C42 B47 B48 B46 -37.9(2) . . . . ?
B52 B47 B48 B46 -138.2(2) . . . . ?
B51 B47 B48 B46 -99.9(2) . . . . ?
C42 B47 B48 B52 100.3(2) . . . . ?
B51 B47 B48 B52 38.3(2) . . . . ?
B46 B47 B48 B52 138.2(2) . . . . ?
C42 B47 B48 B49 63.1(3) . . . . ?
B52 B47 B48 B49 -37.2(2) . . . . ?
B51 B47 B48 B49 1.1(3) . . . . ?
B46 B47 B48 B49 101.0(2) . . . . ?
C41 B45 B48 B47 1.1(3) . . . . ?
B44 B45 B48 B47 62.3(3) . . . . ?
B49 B45 B48 B47 99.8(3) . . . . ?
B46 B45 B48 B47 -37.0(2) . . . . ?
C41 B45 B48 B46 38.1(2) . . . . ?
B44 B45 B48 B46 99.3(2) . . . . ?
B49 B45 B48 B46 136.8(3) . . . . ?
C41 B45 B48 B52 -62.0(3) . . . . ?
B44 B45 B48 B52 -0.8(3) . . . . ?
B49 B45 B48 B52 36.7(2) . . . . ?
B46 B45 B48 B52 -100.1(3) . . . . ?
C41 B45 B48 B49 -98.7(3) . . . . ?
B44 B45 B48 B49 -37.5(2) . . . . ?
B46 B45 B48 B49 -136.8(3) . . . . ?
C42 B46 B48 B47 38.0(2) . . . . ?
C41 B46 B48 B47 101.0(2) . . . . ?
B45 B46 B48 B47 138.5(2) . . . . ?
C42 B46 B48 B45 -100.6(2) . . . . ?
C41 B46 B48 B45 -37.5(2) . . . . ?
B47 B46 B48 B45 -138.5(2) . . . . ?
C42 B46 B48 B52 1.0(3) . . . . ?
C41 B46 B48 B52 64.1(3) . . . . ?
B47 B46 B48 B52 -37.0(2) . . . . ?
B45 B46 B48 B52 101.6(3) . . . . ?
C42 B46 B48 B49 -61.9(3) . . . . ?
C41 B46 B48 B49 1.1(3) . . . . ?
B47 B46 B48 B49 -99.9(3) . . . . ?
B45 B46 B48 B49 38.6(2) . . . . ?
C41 B44 B49 B52 -62.4(3) . . . . ?
B43 B44 B49 B52 0.3(3) . . . . ?
B50 B44 B49 B52 37.7(2) . . . . ?
B45 B44 B49 B52 -100.5(3) . . . . ?
C41 B44 B49 B50 -100.1(3) . . . . ?
B43 B44 B49 B50 -37.5(2) . . . . ?
B45 B44 B49 B50 -138.3(2) . . . . ?
C41 B44 B49 B45 38.2(2) . . . . ?
B43 B44 B49 B45 100.8(2) . . . . ?
B50 B44 B49 B45 138.3(2) . . . . ?
C41 B44 B49 B48 0.9(3) . . . . ?
B43 B44 B49 B48 63.6(3) . . . . ?
B50 B44 B49 B48 101.0(3) . . . . ?
B45 B44 B49 B48 -37.2(2) . . . . ?
C41 B45 B49 B44 -37.7(2) . . . . ?
B48 B45 B49 B44 -137.8(3) . . . . ?
B46 B45 B49 B44 -99.5(2) . . . . ?
C41 B45 B49 B52 63.4(3) . . . . ?
B48 B45 B49 B52 -36.8(2) . . . . ?
B44 B45 B49 B52 101.1(3) . . . . ?
B46 B45 B49 B52 1.6(3) . . . . ?
C41 B45 B49 B50 -0.5(3) . . . . ?
B48 B45 B49 B50 -100.7(3) . . . . ?
B44 B45 B49 B50 37.2(2) . . . . ?
B46 B45 B49 B50 -62.3(3) . . . . ?
C41 B45 B49 B48 100.2(2) . . . . ?
B44 B45 B49 B48 137.8(3) . . . . ?
B46 B45 B49 B48 38.4(2) . . . . ?
B47 B48 B49 B44 -64.2(3) . . . . ?
B45 B48 B49 B44 37.5(2) . . . . ?
B46 B48 B49 B44 -1.3(3) . . . . ?
B52 B48 B49 B44 -101.4(3) . . . . ?
B47 B48 B49 B52 37.2(2) . . . . ?
B45 B48 B49 B52 138.9(3) . . . . ?
B46 B48 B49 B52 100.1(3) . . . . ?
B47 B48 B49 B50 -1.2(3) . . . . ?
B45 B48 B49 B50 100.5(3) . . . . ?
B46 B48 B49 B50 61.8(3) . . . . ?
B52 B48 B49 B50 -38.3(2) . . . . ?
B47 B48 B49 B45 -101.7(3) . . . . ?
B46 B48 B49 B45 -38.8(2) . . . . ?
B52 B48 B49 B45 -138.9(3) . . . . ?
C41 B43 B50 B44 37.5(2) . . . . ?
C42 B43 B50 B44 100.6(2) . . . . ?
B51 B43 B50 B44 138.1(2) . . . . ?
C41 B43 B50 B51 -100.6(2) . . . . ?
C42 B43 B50 B51 -37.6(2) . . . . ?
B44 B43 B50 B51 -138.1(2) . . . . ?
C41 B43 B50 B49 0.2(3) . . . . ?
C42 B43 B50 B49 63.2(3) . . . . ?
B44 B43 B50 B49 -37.4(2) . . . . ?
B51 B43 B50 B49 100.8(3) . . . . ?
C41 B43 B50 B52 -62.7(3) . . . . ?
C42 B43 B50 B52 0.4(3) . . . . ?
B44 B43 B50 B52 -100.2(3) . . . . ?
B51 B43 B50 B52 37.9(2) . . . . ?
C41 B44 B50 B43 -38.3(2) . . . . ?
B49 B44 B50 B43 -138.0(2) . . . . ?
B45 B44 B50 B43 -100.3(2) . . . . ?
C41 B44 B50 B51 -1.0(3) . . . . ?
B43 B44 B50 B51 37.4(2) . . . . ?
B49 B44 B50 B51 -100.6(3) . . . . ?
B45 B44 B50 B51 -63.0(3) . . . . ?
C41 B44 B50 B49 99.7(3) . . . . ?
B43 B44 B50 B49 138.0(2) . . . . ?
B45 B44 B50 B49 37.7(2) . . . . ?
C41 B44 B50 B52 62.5(3) . . . . ?
B43 B44 B50 B52 100.9(3) . . . . ?
B49 B44 B50 B52 -37.1(2) . . . . ?
B45 B44 B50 B52 0.5(3) . . . . ?
B44 B49 B50 B43 37.4(2) . . . . ?
B52 B49 B50 B43 -100.6(2) . . . . ?
B45 B49 B50 B43 0.2(3) . . . . ?
B48 B49 B50 B43 -62.5(3) . . . . ?
B52 B49 B50 B44 -138.1(2) . . . . ?
B45 B49 B50 B44 -37.2(2) . . . . ?
B48 B49 B50 B44 -100.0(3) . . . . ?
B44 B49 B50 B51 100.8(3) . . . . ?
B52 B49 B50 B51 -37.3(2) . . . . ?
B45 B49 B50 B51 63.5(3) . . . . ?
B48 B49 B50 B51 0.8(3) . . . . ?
B44 B49 B50 B52 138.1(2) . . . . ?
B45 B49 B50 B52 100.8(3) . . . . ?
B48 B49 B50 B52 38.1(2) . . . . ?
B46 C42 B51 B47 -36.9(2) . . . . ?
B43 C42 B51 B47 -139.6(2) . . . . ?
C41 C42 B51 B47 -101.5(2) . . . . ?
Si68 C42 B51 B47 110.4(2) . . . . ?
B46 C42 B51 B43 102.7(2) . . . . ?
B47 C42 B51 B43 139.6(2) . . . . ?
C41 C42 B51 B43 38.1(2) . . . . ?
Si68 C42 B51 B43 -110.0(2) . . . . ?
B46 C42 B51 B50 64.6(3) . . . . ?
B47 C42 B51 B50 101.4(3) . . . . ?
B43 C42 B51 B50 -38.2(2) . . . . ?
C41 C42 B51 B50 -0.1(3) . . . . ?
Si68 C42 B51 B50 -148.2(2) . . . . ?
B46 C42 B51 B52 1.3(3) . . . . ?
B47 C42 B51 B52 38.1(2) . . . . ?
B43 C42 B51 B52 -101.5(3) . . . . ?
C41 C42 B51 B52 -63.3(3) . . . . ?
Si68 C42 B51 B52 148.55(19) . . . . ?
B52 B47 B51 C42 136.5(2) . . . . ?
B46 B47 B51 C42 34.5(2) . . . . ?
B48 B47 B51 C42 98.3(2) . . . . ?
C42 B47 B51 B43 -35.8(2) . . . . ?
B52 B47 B51 B43 100.7(3) . . . . ?
B46 B47 B51 B43 -1.4(3) . . . . ?
B48 B47 B51 B43 62.5(3) . . . . ?
C42 B47 B51 B50 -99.0(2) . . . . ?
B52 B47 B51 B50 37.6(2) . . . . ?
B46 B47 B51 B50 -64.5(3) . . . . ?
B48 B47 B51 B50 -0.6(3) . . . . ?
C42 B47 B51 B52 -136.5(2) . . . . ?
B46 B47 B51 B52 -102.1(3) . . . . ?
B48 B47 B51 B52 -38.2(2) . . . . ?
C41 B43 B51 C42 -37.7(2) . . . . ?
B50 B43 B51 C42 -136.7(3) . . . . ?
B44 B43 B51 C42 -99.1(2) . . . . ?
C41 B43 B51 B47 -1.9(3) . . . . ?
C42 B43 B51 B47 35.8(2) . . . . ?
B50 B43 B51 B47 -100.9(3) . . . . ?
B44 B43 B51 B47 -63.3(3) . . . . ?
C41 B43 B51 B50 99.0(3) . . . . ?
C42 B43 B51 B50 136.7(3) . . . . ?
B44 B43 B51 B50 37.6(2) . . . . ?
C41 B43 B51 B52 60.9(3) . . . . ?
C42 B43 B51 B52 98.7(3) . . . . ?
B50 B43 B51 B52 -38.1(2) . . . . ?
B44 B43 B51 B52 -0.5(3) . . . . ?
B43 B50 B51 C42 38.0(2) . . . . ?
B44 B50 B51 C42 0.6(3) . . . . ?
B49 B50 B51 C42 -62.5(3) . . . . ?
B52 B50 B51 C42 -99.6(3) . . . . ?
B43 B50 B51 B47 100.4(2) . . . . ?
B44 B50 B51 B47 63.1(3) . . . . ?
B49 B50 B51 B47 -0.1(3) . . . . ?
B52 B50 B51 B47 -37.2(2) . . . . ?
B44 B50 B51 B43 -37.4(2) . . . . ?
B49 B50 B51 B43 -100.5(3) . . . . ?
B52 B50 B51 B43 -137.6(3) . . . . ?
B43 B50 B51 B52 137.6(3) . . . . ?
B44 B50 B51 B52 100.2(3) . . . . ?
B49 B50 B51 B52 37.1(2) . . . . ?
C42 B47 B52 B49 -62.2(3) . . . . ?
B51 B47 B52 B49 -100.1(3) . . . . ?
B46 B47 B52 B49 0.1(3) . . . . ?
B48 B47 B52 B49 37.8(2) . . . . ?
C42 B47 B52 B48 -99.9(2) . . . . ?
B51 B47 B52 B48 -137.9(2) . . . . ?
B46 B47 B52 B48 -37.7(2) . . . . ?
C42 B47 B52 B51 37.9(2) . . . . ?
B46 B47 B52 B51 100.2(2) . . . . ?
B48 B47 B52 B51 137.9(2) . . . . ?
C42 B47 B52 B50 1.0(3) . . . . ?
B51 B47 B52 B50 -36.9(2) . . . . ?
B46 B47 B52 B50 63.3(3) . . . . ?
B48 B47 B52 B50 101.0(3) . . . . ?
B44 B49 B52 B47 62.3(3) . . . . ?
B50 B49 B52 B47 99.8(3) . . . . ?
B45 B49 B52 B47 -1.0(3) . . . . ?
B48 B49 B52 B47 -37.6(2) . . . . ?
B44 B49 B52 B48 99.9(3) . . . . ?
B50 B49 B52 B48 137.3(3) . . . . ?
B45 B49 B52 B48 36.5(2) . . . . ?
B44 B49 B52 B51 -0.5(3) . . . . ?
B50 B49 B52 B51 36.9(2) . . . . ?
B45 B49 B52 B51 -63.9(3) . . . . ?
B48 B49 B52 B51 -100.4(3) . . . . ?
B44 B49 B52 B50 -37.4(2) . . . . ?
B45 B49 B52 B50 -100.8(3) . . . . ?
B48 B49 B52 B50 -137.3(3) . . . . ?
B45 B48 B52 B47 101.0(3) . . . . ?
B46 B48 B52 B47 37.1(2) . . . . ?
B49 B48 B52 B47 137.9(2) . . . . ?
B47 B48 B52 B49 -137.9(2) . . . . ?
B45 B48 B52 B49 -37.0(2) . . . . ?
B46 B48 B52 B49 -100.9(2) . . . . ?
B47 B48 B52 B51 -37.3(2) . . . . ?
B45 B48 B52 B51 63.7(3) . . . . ?
B46 B48 B52 B51 -0.2(3) . . . . ?
B49 B48 B52 B51 100.7(3) . . . . ?
B47 B48 B52 B50 -99.9(3) . . . . ?
B45 B48 B52 B50 1.1(3) . . . . ?
B46 B48 B52 B50 -62.9(3) . . . . ?
B49 B48 B52 B50 38.0(2) . . . . ?
C42 B51 B52 B47 -38.1(2) . . . . ?
B43 B51 B52 B47 -100.4(3) . . . . ?
B50 B51 B52 B47 -138.2(3) . . . . ?
C42 B51 B52 B49 63.0(3) . . . . ?
B47 B51 B52 B49 101.0(3) . . . . ?
B43 B51 B52 B49 0.6(3) . . . . ?
B50 B51 B52 B49 -37.1(2) . . . . ?
C42 B51 B52 B48 -0.6(3) . . . . ?
B47 B51 B52 B48 37.5(2) . . . . ?
B43 B51 B52 B48 -63.0(3) . . . . ?
B50 B51 B52 B48 -100.7(3) . . . . ?
C42 B51 B52 B50 100.1(2) . . . . ?
B47 B51 B52 B50 138.2(3) . . . . ?
B43 B51 B52 B50 37.8(2) . . . . ?
B43 B50 B52 B47 -0.9(3) . . . . ?
B44 B50 B52 B47 -64.1(3) . . . . ?
B51 B50 B52 B47 37.0(2) . . . . ?
B49 B50 B52 B47 -101.3(3) . . . . ?
B43 B50 B52 B49 100.5(3) . . . . ?
B44 B50 B52 B49 37.2(2) . . . . ?
B51 B50 B52 B49 138.3(3) . . . . ?
B43 B50 B52 B48 62.3(3) . . . . ?
B44 B50 B52 B48 -1.0(3) . . . . ?
B51 B50 B52 B48 100.1(3) . . . . ?
B49 B50 B52 B48 -38.2(2) . . . . ?
B43 B50 B52 B51 -37.8(2) . . . . ?
B44 B50 B52 B51 -101.1(3) . . . . ?
B49 B50 B52 B51 -138.3(3) . . . . ?
C58 C53 C54 C55 2.1(4) . . . . ?
C65 C53 C54 C55 -177.8(3) . . . . ?
C53 C54 C55 C56 -2.9(4) . . . . ?
C53 C54 C55 C41 -178.9(3) . . . . ?
B44 C41 C55 C56 -47.5(4) . . . . ?
B45 C41 C55 C56 -121.4(3) . . . . ?
B43 C41 C55 C56 25.4(4) . . . . ?
B46 C41 C55 C56 165.4(3) . . . . ?
C42 C41 C55 C56 95.6(3) . . . . ?
B44 C41 C55 C54 128.5(3) . . . . ?
B45 C41 C55 C54 54.6(4) . . . . ?
B43 C41 C55 C54 -158.6(3) . . . . ?
B46 C41 C55 C54 -18.6(4) . . . . ?
C42 C41 C55 C54 -88.4(3) . . . . ?
C54 C55 C56 C57 1.8(4) . . . . ?
C41 C55 C56 C57 177.9(3) . . . . ?
C55 C56 C57 C58 0.0(4) . . . . ?
C56 C57 C58 C53 -0.8(4) . . . . ?
C56 C57 C58 C59 178.3(3) . . . . ?
C54 C53 C58 C57 -0.3(4) . . . . ?
C65 C53 C58 C57 179.7(3) . . . . ?
C54 C53 C58 C59 -179.5(3) . . . . ?
C65 C53 C58 C59 0.4(3) . . . . ?
C57 C58 C59 C64 -178.9(3) . . . . ?
C53 C58 C59 C64 0.3(3) . . . . ?
C57 C58 C59 C60 1.7(6) . . . . ?
C53 C58 C59 C60 -179.2(3) . . . . ?
C64 C59 C60 C61 0.5(5) . . . . ?
C58 C59 C60 C61 179.9(3) . . . . ?
C59 C60 C61 C62 0.2(5) . . . . ?
C60 C61 C62 C63 -0.8(5) . . . . ?
C61 C62 C63 C64 0.6(5) . . . . ?
C62 C63 C64 C59 0.0(5) . . . . ?
C62 C63 C64 C65 -179.1(3) . . . . ?
C60 C59 C64 C63 -0.6(5) . . . . ?
C58 C59 C64 C63 179.9(3) . . . . ?
C60 C59 C64 C65 178.7(3) . . . . ?
C58 C59 C64 C65 -0.8(3) . . . . ?
C54 C53 C65 C64 179.1(3) . . . . ?
C58 C53 C65 C64 -0.8(3) . . . . ?
C54 C53 C65 C66 -62.3(4) . . . . ?
C58 C53 C65 C66 117.8(3) . . . . ?
C54 C53 C65 C67 61.0(4) . . . . ?
C58 C53 C65 C67 -118.9(3) . . . . ?
C63 C64 C65 C53 -179.8(3) . . . . ?
C59 C64 C65 C53 1.0(3) . . . . ?
C63 C64 C65 C66 61.9(4) . . . . ?
C59 C64 C65 C66 -117.3(3) . . . . ?
C63 C64 C65 C67 -62.2(4) . . . . ?
C59 C64 C65 C67 118.5(3) . . . . ?
C73 Si68 C69 C70 49.1(5) . . . . ?
C71 Si68 C69 C70 -64.5(3) . . . . ?
C71B Si68 C69 C70 -76.9(10) . . . . ?
C73B Si68 C69 C70 62.7(5) . . . . ?
C42 Si68 C69 C70 172.5(3) . . . . ?
C73 Si68 C71 C72 -155.2(5) . . . . ?
C69 Si68 C71 C72 -33.8(4) . . . . ?
C42 Si68 C71 C72 90.8(4) . . . . ?
C71 Si68 C73 C74 163.5(7) . . . . ?
C69 Si68 C73 C74 41.2(8) . . . . ?
C42 Si68 C73 C74 -83.3(7) . . . . ?
C69 Si68 C71B C72B 171(2) . . . . ?
C73B Si68 C71B C72B 58(3) . . . . ?
C42 Si68 C71B C72B -77(2) . . . . ?

_refine_diff_density_max         0.216
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.047



####################################################################### 
# 
# 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_2CM
_audit_block_doi                 10.5517/ccdc.csd.cc2l61tp
_database_code_depnum_ccdc_archive 'CCDC 2389102'
loop_
_audit_author_name
_audit_author_address
'Kang Mun Lee'
;Kangwon National University
South Korea
;
_audit_update_record             
;
2024-10-07 deposited with the CCDC.	2024-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H32 B10 Si'
_chemical_formula_sum            'C20 H32 B10 Si'
_chemical_formula_weight         408.64

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.3569(6)
_cell_length_b                   10.8812(6)
_cell_length_c                   12.1208(7)
_cell_angle_alpha                98.2648(19)
_cell_angle_beta                 94.752(2)
_cell_angle_gamma                92.699(2)
_cell_volume                     1214.88(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    203(2)
_cell_measurement_reflns_used    9107
_cell_measurement_theta_min      2.65
_cell_measurement_theta_max      26.02

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_F_000             432
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.173
_exptl_crystal_size_mid          0.161
_exptl_crystal_size_min          0.038
_exptl_absorpt_coefficient_mu    0.103
_shelx_estimated_absorpt_T_min   0.982
_shelx_estimated_absorpt_T_max   0.996
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6633
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      203(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'IuS 3.0 Microfocus'
_diffrn_measurement_device_type  'PHOTON II 14 CPAD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33576
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.649
_diffrn_reflns_theta_max         26.057
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4780
_reflns_number_gt                3937
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX5 software'
_computing_cell_refinement       'Bruker APEX5 software'
_computing_data_reduction        'Bruker APEX5 software'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0549P)²+0.4912P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4780
_refine_ls_number_parameters     316
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0450
_refine_ls_wR_factor_ref         0.1229
_refine_ls_wR_factor_gt          0.1140
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 1.0264(2) 0.40422(17) 0.66889(16) 0.0349(4) Uani 1 1 d . . . . .
H1 H 1.013425 0.486024 0.624601 0.042 Uiso 1 1 calc R U . . .
B2 B 1.0787(2) 0.26124(19) 0.60086(17) 0.0418(5) Uani 1 1 d . . . . .
H2 H 1.102738 0.249077 0.511912 0.050 Uiso 1 1 calc R U . . .
B3 B 0.9910(2) 0.14092(18) 0.65830(17) 0.0395(4) Uani 1 1 d . . . . .
H3 H 0.956656 0.049770 0.607117 0.047 Uiso 1 1 calc R U . . .
B4 B 0.8871(2) 0.21070(16) 0.76312(15) 0.0321(4) Uani 1 1 d . . . . .
H4 H 0.783676 0.166505 0.780515 0.039 Uiso 1 1 calc R U . . .
B5 B 1.0058(2) 0.29838(18) 0.87108(16) 0.0368(4) Uani 1 1 d . . . . .
H5 H 0.981244 0.310821 0.959891 0.044 Uiso 1 1 calc R U . . .
B6 B 1.0555(2) 0.15403(19) 0.80153(18) 0.0395(4) Uani 1 1 d . . . . .
H6 H 1.064156 0.071133 0.844868 0.047 Uiso 1 1 calc R U . . .
B7 B 1.1747(2) 0.1856(2) 0.70099(19) 0.0449(5) Uani 1 1 d . . . . .
H7 H 1.262010 0.123640 0.678468 0.054 Uiso 1 1 calc R U . . .
B8 B 1.1964(2) 0.3506(2) 0.70740(19) 0.0424(5) Uani 1 1 d . . . . .
H8 H 1.297717 0.397512 0.688899 0.051 Uiso 1 1 calc R U . . .
B9 B 1.0927(2) 0.41894(19) 0.81271(17) 0.0378(4) Uani 1 1 d . . . . .
H9 H 1.125216 0.510836 0.863246 0.045 Uiso 1 1 calc R U . . .
B10 B 1.1836(2) 0.2833(2) 0.83213(18) 0.0429(5) Uani 1 1 d . . . . .
H10 H 1.276878 0.285394 0.895399 0.051 Uiso 1 1 calc R U . . .
C1 C 0.81914(17) 0.57999(14) 0.78622(13) 0.0328(3) Uani 1 1 d . . . . .
H1A H 0.905169 0.610812 0.762517 0.039 Uiso 1 1 calc R U . . .
C2 C 0.80050(17) 0.45404(14) 0.79726(13) 0.0311(3) Uani 1 1 d . . . . .
C3 C 0.67363(18) 0.41142(15) 0.83630(14) 0.0357(4) Uani 1 1 d . . . . .
H3A H 0.661409 0.327363 0.845473 0.043 Uiso 1 1 calc R U . . .
C4 C 0.56558(18) 0.49060(15) 0.86173(14) 0.0373(4) Uani 1 1 d . . . . .
H4A H 0.480833 0.460574 0.887937 0.045 Uiso 1 1 calc R U . . .
C5 C 0.35509(18) 0.72559(18) 0.90607(14) 0.0410(4) Uani 1 1 d . . . . .
H5A H 0.307816 0.654978 0.926018 0.049 Uiso 1 1 calc R U . . .
C6 C 0.29140(19) 0.83856(19) 0.91507(15) 0.0454(4) Uani 1 1 d . . . . .
H6A H 0.200156 0.844586 0.941834 0.055 Uiso 1 1 calc R U . . .
C7 C 0.35998(19) 0.94249(18) 0.88529(15) 0.0441(4) Uani 1 1 d . . . . .
H7A H 0.314422 1.018032 0.891247 0.053 Uiso 1 1 calc R U . . .
C8 C 0.49559(19) 0.93661(17) 0.84663(14) 0.0403(4) Uani 1 1 d . . . . .
H8A H 0.542190 1.007506 0.826626 0.048 Uiso 1 1 calc R U . . .
C9 C 0.70802(17) 0.79591(15) 0.80010(13) 0.0330(4) Uani 1 1 d . . . . .
C10 C 0.71130(17) 0.65843(14) 0.81013(13) 0.0314(3) Uani 1 1 d . . . . .
C11 C 0.58353(17) 0.61457(15) 0.84817(13) 0.0331(3) Uani 1 1 d . . . . .
C12 C 0.49051(17) 0.71892(15) 0.86686(13) 0.0336(4) Uani 1 1 d . . . . .
C13 C 0.56090(17) 0.82436(15) 0.83809(13) 0.0335(4) Uani 1 1 d . . . . .
C14 C 0.91837(17) 0.36894(14) 0.76990(12) 0.0297(3) Uani 1 1 d . . . . .
C15 C 0.90868(17) 0.27546(14) 0.64331(13) 0.0325(3) Uani 1 1 d . . . . .
C16 C 0.7194(2) 0.8170(2) 0.67920(16) 0.0540(5) Uani 1 1 d . . . . .
H16A H 0.703188 0.903115 0.672678 0.081 Uiso 1 1 calc R U . . .
H16B H 0.647741 0.763151 0.630286 0.081 Uiso 1 1 calc R U . . .
H16C H 0.814425 0.797956 0.657818 0.081 Uiso 1 1 calc R U . . .
C17 C 0.82813(19) 0.87213(16) 0.87767(17) 0.0441(4) Uani 1 1 d . . . . .
H17A H 0.817433 0.960045 0.875709 0.066 Uiso 1 1 calc R U . . .
H17B H 0.920598 0.849666 0.852829 0.066 Uiso 1 1 calc R U . . .
H17C H 0.822395 0.854921 0.953560 0.066 Uiso 1 1 calc R U . . .
Si1 Si 0.74614(6) 0.26988(5) 0.53283(4) 0.04522(17) Uani 1 1 d . . . . .
C18 C 0.8229(12) 0.2204(9) 0.3930(7) 0.0628(18) Uani 0.66(3) 1 d . U P A 1
H18A H 0.745820 0.209737 0.333120 0.094 Uiso 0.66(3) 1 calc R U P A 1
H18B H 0.868458 0.142366 0.394872 0.094 Uiso 0.66(3) 1 calc R U P A 1
H18C H 0.893214 0.283848 0.380022 0.094 Uiso 0.66(3) 1 calc R U P A 1
C19 C 0.6770(11) 0.4289(9) 0.5288(8) 0.0481(18) Uani 0.66(3) 1 d . U P A 1
H19A H 0.608759 0.426529 0.463724 0.072 Uiso 0.66(3) 1 calc R U P A 1
H19B H 0.756683 0.487956 0.524621 0.072 Uiso 0.66(3) 1 calc R U P A 1
H19C H 0.630077 0.454351 0.596142 0.072 Uiso 0.66(3) 1 calc R U P A 1
C20 C 0.5945(11) 0.1727(10) 0.5785(9) 0.0643(19) Uani 0.66(3) 1 d . U P A 1
H20A H 0.512974 0.164835 0.522564 0.097 Uiso 0.66(3) 1 calc R U P A 1
H20B H 0.566515 0.212770 0.649555 0.097 Uiso 0.66(3) 1 calc R U P A 1
H20C H 0.626561 0.090732 0.586749 0.097 Uiso 0.66(3) 1 calc R U P A 1
C18B C 0.784(2) 0.189(2) 0.4035(16) 0.075(4) Uani 0.34(3) 1 d . U P A 2
H18D H 0.697585 0.179769 0.351902 0.113 Uiso 0.34(3) 1 calc R U P A 2
H18E H 0.815273 0.107473 0.413818 0.113 Uiso 0.34(3) 1 calc R U P A 2
H18F H 0.858763 0.235095 0.373420 0.113 Uiso 0.34(3) 1 calc R U P A 2
C19B C 0.683(3) 0.414(2) 0.518(2) 0.080(8) Uani 0.34(3) 1 d . U P A 2
H19D H 0.609054 0.404612 0.455783 0.121 Uiso 0.34(3) 1 calc R U P A 2
H19E H 0.761580 0.468802 0.503118 0.121 Uiso 0.34(3) 1 calc R U P A 2
H19F H 0.643308 0.448521 0.586055 0.121 Uiso 0.34(3) 1 calc R U P A 2
C20B C 0.6231(17) 0.1412(17) 0.5436(17) 0.057(3) Uani 0.34(3) 1 d . U P A 2
H20D H 0.549131 0.131491 0.481510 0.086 Uiso 0.34(3) 1 calc R U P A 2
H20E H 0.579064 0.156908 0.613592 0.086 Uiso 0.34(3) 1 calc R U P A 2
H20F H 0.674662 0.065759 0.541614 0.086 Uiso 0.34(3) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
B1 C15 1.716(2) . ?
B1 C14 1.724(2) . ?
B1 B2 1.763(3) . ?
B1 B8 1.770(3) . ?
B1 B9 1.783(3) . ?
B1 H1 1.1100 . ?
B2 C15 1.719(3) . ?
B2 B8 1.769(3) . ?
B2 B3 1.769(3) . ?
B2 B7 1.770(3) . ?
B2 H2 1.1100 . ?
B3 C15 1.712(2) . ?
B3 B4 1.770(3) . ?
B3 B6 1.773(3) . ?
B3 B7 1.777(3) . ?
B3 H3 1.1100 . ?
B4 C14 1.722(2) . ?
B4 C15 1.725(2) . ?
B4 B6 1.770(3) . ?
B4 B5 1.777(3) . ?
B4 H4 1.1100 . ?
B5 C14 1.711(2) . ?
B5 B9 1.773(3) . ?
B5 B6 1.774(3) . ?
B5 B10 1.775(3) . ?
B5 H5 1.1100 . ?
B6 B7 1.777(3) . ?
B6 B10 1.781(3) . ?
B6 H6 1.1100 . ?
B7 B10 1.774(3) . ?
B7 B8 1.787(3) . ?
B7 H7 1.1100 . ?
B8 B9 1.768(3) . ?
B8 B10 1.782(3) . ?
B8 H8 1.1100 . ?
B9 C14 1.709(2) . ?
B9 B10 1.773(3) . ?
B9 H9 1.1100 . ?
B10 H10 1.1100 . ?
C1 C10 1.374(2) . ?
C1 C2 1.400(2) . ?
C1 H1A 0.9400 . ?
C2 C3 1.397(2) . ?
C2 C14 1.501(2) . ?
C3 C4 1.384(2) . ?
C3 H3A 0.9400 . ?
C4 C11 1.386(2) . ?
C4 H4A 0.9400 . ?
C5 C6 1.385(3) . ?
C5 C12 1.391(2) . ?
C5 H5A 0.9400 . ?
C6 C7 1.381(3) . ?
C6 H6A 0.9400 . ?
C7 C8 1.390(3) . ?
C7 H7A 0.9400 . ?
C8 C13 1.386(2) . ?
C8 H8A 0.9400 . ?
C9 C13 1.519(2) . ?
C9 C10 1.520(2) . ?
C9 C16 1.527(2) . ?
C9 C17 1.532(2) . ?
C10 C11 1.404(2) . ?
C11 C12 1.466(2) . ?
C12 C13 1.398(2) . ?
C14 C15 1.708(2) . ?
C15 Si1 1.9340(16) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 H17C 0.9700 . ?
Si1 C19B 1.73(2) . ?
Si1 C18B 1.754(18) . ?
Si1 C20B 1.797(14) . ?
Si1 C19 1.882(9) . ?
Si1 C20 1.896(9) . ?
Si1 C18 1.912(10) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 H20C 0.9700 . ?
C18B H18D 0.9700 . ?
C18B H18E 0.9700 . ?
C18B H18F 0.9700 . ?
C19B H19D 0.9700 . ?
C19B H19E 0.9700 . ?
C19B H19F 0.9700 . ?
C20B H20D 0.9700 . ?
C20B H20E 0.9700 . ?
C20B H20F 0.9700 . ?

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
C15 B1 C14 59.52(9) . . ?
C15 B1 B2 59.20(11) . . ?
C14 B1 B2 106.49(13) . . ?
C15 B1 B8 106.31(13) . . ?
C14 B1 B8 105.31(13) . . ?
B2 B1 B8 60.08(12) . . ?
C15 B1 B9 106.42(13) . . ?
C14 B1 B9 58.29(10) . . ?
B2 B1 B9 107.80(14) . . ?
B8 B1 B9 59.68(11) . . ?
C15 B1 H1 122.7 . . ?
C14 B1 H1 123.4 . . ?
B2 B1 H1 121.8 . . ?
B8 B1 H1 122.8 . . ?
B9 B1 H1 122.3 . . ?
C15 B2 B1 59.04(10) . . ?
C15 B2 B8 106.23(14) . . ?
B1 B2 B8 60.14(11) . . ?
C15 B2 B3 58.75(10) . . ?
B1 B2 B3 107.69(14) . . ?
B8 B2 B3 108.67(14) . . ?
C15 B2 B7 106.11(14) . . ?
B1 B2 B7 108.49(15) . . ?
B8 B2 B7 60.65(12) . . ?
B3 B2 B7 60.30(11) . . ?
C15 B2 H2 123.8 . . ?
B1 B2 H2 121.6 . . ?
B8 B2 H2 121.6 . . ?
B3 B2 H2 121.6 . . ?
B7 B2 H2 121.6 . . ?
C15 B3 B2 59.19(10) . . ?
C15 B3 B4 59.37(10) . . ?
B2 B3 B4 107.92(13) . . ?
C15 B3 B6 106.26(13) . . ?
B2 B3 B6 107.93(14) . . ?
B4 B3 B6 59.92(11) . . ?
C15 B3 B7 106.12(14) . . ?
B2 B3 B7 59.89(12) . . ?
B4 B3 B7 107.92(14) . . ?
B6 B3 B7 60.05(12) . . ?
C15 B3 H3 123.4 . . ?
B2 B3 H3 121.7 . . ?
B4 B3 H3 121.6 . . ?
B6 B3 H3 122.1 . . ?
B7 B3 H3 122.1 . . ?
C14 B4 C15 59.41(9) . . ?
C14 B4 B6 105.46(13) . . ?
C15 B4 B6 105.85(13) . . ?
C14 B4 B3 106.17(13) . . ?
C15 B4 B3 58.63(10) . . ?
B6 B4 B3 60.14(11) . . ?
C14 B4 B5 58.52(10) . . ?
C15 B4 B5 106.53(13) . . ?
B6 B4 B5 60.03(11) . . ?
B3 B4 B5 108.21(14) . . ?
C14 B4 H4 123.4 . . ?
C15 B4 H4 123.1 . . ?
B6 B4 H4 122.7 . . ?
B3 B4 H4 122.0 . . ?
B5 B4 H4 121.9 . . ?
C14 B5 B9 58.72(10) . . ?
C14 B5 B6 105.75(13) . . ?
B9 B5 B6 107.99(14) . . ?
C14 B5 B10 105.56(13) . . ?
B9 B5 B10 59.95(11) . . ?
B6 B5 B10 60.23(12) . . ?
C14 B5 B4 59.14(9) . . ?
B9 B5 B4 107.56(13) . . ?
B6 B5 B4 59.79(10) . . ?
B10 B5 B4 107.83(14) . . ?
C14 B5 H5 123.9 . . ?
B9 B5 H5 121.8 . . ?
B6 B5 H5 122.1 . . ?
B10 B5 H5 122.1 . . ?
B4 B5 H5 121.8 . . ?
B4 B6 B3 59.94(11) . . ?
B4 B6 B5 60.18(10) . . ?
B3 B6 B5 108.17(13) . . ?
B4 B6 B7 107.97(14) . . ?
B3 B6 B7 60.09(12) . . ?
B5 B6 B7 107.97(14) . . ?
B4 B6 B10 107.89(13) . . ?
B3 B6 B10 107.89(14) . . ?
B5 B6 B10 59.92(11) . . ?
B7 B6 B10 59.83(12) . . ?
B4 B6 H6 121.7 . . ?
B3 B6 H6 121.7 . . ?
B5 B6 H6 121.6 . . ?
B7 B6 H6 121.8 . . ?
B10 B6 H6 121.9 . . ?
B2 B7 B10 107.86(14) . . ?
B2 B7 B6 107.72(14) . . ?
B10 B7 B6 60.20(12) . . ?
B2 B7 B3 59.81(12) . . ?
B10 B7 B3 108.00(14) . . ?
B6 B7 B3 59.87(11) . . ?
B2 B7 B8 59.63(12) . . ?
B10 B7 B8 60.05(12) . . ?
B6 B7 B8 107.88(15) . . ?
B3 B7 B8 107.47(14) . . ?
B2 B7 H7 122.0 . . ?
B10 B7 H7 121.6 . . ?
B6 B7 H7 121.7 . . ?
B3 B7 H7 121.9 . . ?
B8 B7 H7 122.0 . . ?
B9 B8 B2 108.25(14) . . ?
B9 B8 B1 60.54(11) . . ?
B2 B8 B1 59.78(11) . . ?
B9 B8 B10 59.92(12) . . ?
B2 B8 B10 107.59(14) . . ?
B1 B8 B10 108.02(14) . . ?
B9 B8 B7 107.69(14) . . ?
B2 B8 B7 59.72(12) . . ?
B1 B8 B7 107.47(14) . . ?
B10 B8 B7 59.63(12) . . ?
B9 B8 H8 121.5 . . ?
B2 B8 H8 121.9 . . ?
B1 B8 H8 121.7 . . ?
B10 B8 H8 121.9 . . ?
B7 B8 H8 122.2 . . ?
C14 B9 B8 106.04(14) . . ?
C14 B9 B10 105.74(13) . . ?
B8 B9 B10 60.43(12) . . ?
C14 B9 B5 58.82(10) . . ?
B8 B9 B5 108.45(14) . . ?
B10 B9 B5 60.08(11) . . ?
C14 B9 B1 59.12(10) . . ?
B8 B9 B1 59.78(11) . . ?
B10 B9 B1 107.82(14) . . ?
B5 B9 B1 107.62(13) . . ?
C14 B9 H9 123.8 . . ?
B8 B9 H9 121.8 . . ?
B10 B9 H9 122.1 . . ?
B5 B9 H9 121.6 . . ?
B1 B9 H9 121.9 . . ?
B9 B10 B7 108.02(14) . . ?
B9 B10 B5 59.97(11) . . ?
B7 B10 B5 108.03(14) . . ?
B9 B10 B6 107.71(13) . . ?
B7 B10 B6 59.97(12) . . ?
B5 B10 B6 59.85(11) . . ?
B9 B10 B8 59.65(11) . . ?
B7 B10 B8 60.32(12) . . ?
B5 B10 B8 107.74(13) . . ?
B6 B10 B8 107.91(15) . . ?
B9 B10 H10 121.9 . . ?
B7 B10 H10 121.5 . . ?
B5 B10 H10 121.8 . . ?
B6 B10 H10 121.9 . . ?
B8 B10 H10 121.8 . . ?
C10 C1 C2 119.82(15) . . ?
C10 C1 H1A 120.1 . . ?
C2 C1 H1A 120.1 . . ?
C3 C2 C1 118.97(15) . . ?
C3 C2 C14 121.62(14) . . ?
C1 C2 C14 119.39(14) . . ?
C4 C3 C2 121.28(15) . . ?
C4 C3 H3A 119.4 . . ?
C2 C3 H3A 119.4 . . ?
C3 C4 C11 119.38(15) . . ?
C3 C4 H4A 120.3 . . ?
C11 C4 H4A 120.3 . . ?
C6 C5 C12 118.56(17) . . ?
C6 C5 H5A 120.7 . . ?
C12 C5 H5A 120.7 . . ?
C7 C6 C5 120.99(17) . . ?
C7 C6 H6A 119.5 . . ?
C5 C6 H6A 119.5 . . ?
C6 C7 C8 120.73(17) . . ?
C6 C7 H7A 119.6 . . ?
C8 C7 H7A 119.6 . . ?
C13 C8 C7 118.82(17) . . ?
C13 C8 H8A 120.6 . . ?
C7 C8 H8A 120.6 . . ?
C13 C9 C10 101.00(13) . . ?
C13 C9 C16 111.72(14) . . ?
C10 C9 C16 110.87(14) . . ?
C13 C9 C17 111.49(13) . . ?
C10 C9 C17 111.14(13) . . ?
C16 C9 C17 110.33(16) . . ?
C1 C10 C11 120.82(15) . . ?
C1 C10 C9 128.07(14) . . ?
C11 C10 C9 111.11(14) . . ?
C4 C11 C10 119.70(15) . . ?
C4 C11 C12 132.09(15) . . ?
C10 C11 C12 108.21(14) . . ?
C5 C12 C13 120.54(16) . . ?
C5 C12 C11 131.13(16) . . ?
C13 C12 C11 108.32(14) . . ?
C8 C13 C12 120.35(16) . . ?
C8 C13 C9 128.31(16) . . ?
C12 C13 C9 111.34(14) . . ?
C2 C14 C15 120.08(12) . . ?
C2 C14 B9 119.38(13) . . ?
C15 C14 B9 110.24(12) . . ?
C2 C14 B5 120.92(13) . . ?
C15 C14 B5 110.35(12) . . ?
B9 C14 B5 62.46(10) . . ?
C2 C14 B4 119.76(13) . . ?
C15 C14 B4 60.39(9) . . ?
B9 C14 B4 113.17(12) . . ?
B5 C14 B4 62.34(10) . . ?
C2 C14 B1 117.25(12) . . ?
C15 C14 B1 60.01(10) . . ?
B9 C14 B1 62.59(11) . . ?
B5 C14 B1 113.36(13) . . ?
B4 C14 B1 111.53(12) . . ?
C14 C15 B3 109.46(12) . . ?
C14 C15 B1 60.46(10) . . ?
B3 C15 B1 112.59(13) . . ?
C14 C15 B2 109.23(12) . . ?
B3 C15 B2 62.06(11) . . ?
B1 C15 B2 61.76(11) . . ?
C14 C15 B4 60.21(9) . . ?
B3 C15 B4 62.00(10) . . ?
B1 C15 B4 111.76(12) . . ?
B2 C15 B4 112.34(12) . . ?
C14 C15 Si1 122.37(10) . . ?
B3 C15 Si1 118.93(11) . . ?
B1 C15 Si1 119.58(11) . . ?
B2 C15 Si1 119.76(11) . . ?
B4 C15 Si1 118.83(11) . . ?
C9 C16 H16A 109.5 . . ?
C9 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C9 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C9 C17 H17A 109.5 . . ?
C9 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C9 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19B Si1 C18B 111.1(11) . . ?
C19B Si1 C20B 120.3(11) . . ?
C18B Si1 C20B 87.3(16) . . ?
C19 Si1 C20 105.9(5) . . ?
C19 Si1 C18 107.1(4) . . ?
C20 Si1 C18 120.4(7) . . ?
C19B Si1 C15 114.2(8) . . ?
C18B Si1 C15 111.0(6) . . ?
C20B Si1 C15 109.8(5) . . ?
C19 Si1 C15 111.3(3) . . ?
C20 Si1 C15 107.7(2) . . ?
C18 Si1 C15 104.4(3) . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si1 C20 H20A 109.5 . . ?
Si1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si1 C18B H18D 109.5 . . ?
Si1 C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
Si1 C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
Si1 C19B H19D 109.5 . . ?
Si1 C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
Si1 C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
Si1 C20B H20D 109.5 . . ?
Si1 C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
Si1 C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C14 B1 B2 C15 37.61(11) . . . . ?
B8 B1 B2 C15 136.08(14) . . . . ?
B9 B1 B2 C15 98.88(14) . . . . ?
C15 B1 B2 B8 -136.08(14) . . . . ?
C14 B1 B2 B8 -98.47(14) . . . . ?
B9 B1 B2 B8 -37.20(13) . . . . ?
C15 B1 B2 B3 -34.29(12) . . . . ?
C14 B1 B2 B3 3.32(18) . . . . ?
B8 B1 B2 B3 101.79(15) . . . . ?
B9 B1 B2 B3 64.59(17) . . . . ?
C15 B1 B2 B7 -98.08(15) . . . . ?
C14 B1 B2 B7 -60.47(17) . . . . ?
B8 B1 B2 B7 38.00(14) . . . . ?
B9 B1 B2 B7 0.80(19) . . . . ?
B1 B2 B3 C15 34.40(12) . . . . ?
B8 B2 B3 C15 98.05(14) . . . . ?
B7 B2 B3 C15 136.02(15) . . . . ?
C15 B2 B3 B4 -35.28(12) . . . . ?
B1 B2 B3 B4 -0.88(18) . . . . ?
B8 B2 B3 B4 62.77(17) . . . . ?
B7 B2 B3 B4 100.74(15) . . . . ?
C15 B2 B3 B6 -98.61(14) . . . . ?
B1 B2 B3 B6 -64.20(17) . . . . ?
B8 B2 B3 B6 -0.55(18) . . . . ?
B7 B2 B3 B6 37.42(13) . . . . ?
C15 B2 B3 B7 -136.02(15) . . . . ?
B1 B2 B3 B7 -101.62(16) . . . . ?
B8 B2 B3 B7 -37.97(14) . . . . ?
C15 B3 B4 C14 -37.12(11) . . . . ?
B2 B3 B4 C14 -1.92(17) . . . . ?
B6 B3 B4 C14 98.84(13) . . . . ?
B7 B3 B4 C14 61.37(16) . . . . ?
B2 B3 B4 C15 35.21(12) . . . . ?
B6 B3 B4 C15 135.96(14) . . . . ?
B7 B3 B4 C15 98.49(15) . . . . ?
C15 B3 B4 B6 -135.96(14) . . . . ?
B2 B3 B4 B6 -100.75(15) . . . . ?
B7 B3 B4 B6 -37.46(13) . . . . ?
C15 B3 B4 B5 -98.64(13) . . . . ?
B2 B3 B4 B5 -63.43(16) . . . . ?
B6 B3 B4 B5 37.32(13) . . . . ?
B7 B3 B4 B5 -0.14(17) . . . . ?
C15 B4 B5 C14 36.48(11) . . . . ?
B6 B4 B5 C14 135.55(14) . . . . ?
B3 B4 B5 C14 98.18(14) . . . . ?
C14 B4 B5 B9 -34.56(12) . . . . ?
C15 B4 B5 B9 1.92(17) . . . . ?
B6 B4 B5 B9 100.99(15) . . . . ?
B3 B4 B5 B9 63.63(16) . . . . ?
C14 B4 B5 B6 -135.55(14) . . . . ?
C15 B4 B5 B6 -99.08(14) . . . . ?
B3 B4 B5 B6 -37.37(13) . . . . ?
C14 B4 B5 B10 -97.82(14) . . . . ?
C15 B4 B5 B10 -61.34(15) . . . . ?
B6 B4 B5 B10 37.73(13) . . . . ?
B3 B4 B5 B10 0.36(17) . . . . ?
C14 B4 B6 B3 -100.04(14) . . . . ?
C15 B4 B6 B3 -38.10(12) . . . . ?
B5 B4 B6 B3 -138.33(14) . . . . ?
C14 B4 B6 B5 38.29(12) . . . . ?
C15 B4 B6 B5 100.23(13) . . . . ?
B3 B4 B6 B5 138.33(14) . . . . ?
C14 B4 B6 B7 -62.55(17) . . . . ?
C15 B4 B6 B7 -0.61(18) . . . . ?
B3 B4 B6 B7 37.49(14) . . . . ?
B5 B4 B6 B7 -100.84(15) . . . . ?
C14 B4 B6 B10 0.68(18) . . . . ?
C15 B4 B6 B10 62.62(17) . . . . ?
B3 B4 B6 B10 100.72(16) . . . . ?
B5 B4 B6 B10 -37.61(13) . . . . ?
C15 B3 B6 B4 38.54(12) . . . . ?
B2 B3 B6 B4 100.74(14) . . . . ?
B7 B3 B6 B4 138.09(14) . . . . ?
C15 B3 B6 B5 1.17(18) . . . . ?
B2 B3 B6 B5 63.36(17) . . . . ?
B4 B3 B6 B5 -37.38(13) . . . . ?
B7 B3 B6 B5 100.71(15) . . . . ?
C15 B3 B6 B7 -99.54(15) . . . . ?
B2 B3 B6 B7 -37.35(13) . . . . ?
B4 B3 B6 B7 -138.09(14) . . . . ?
C15 B3 B6 B10 -62.19(17) . . . . ?
B2 B3 B6 B10 0.01(18) . . . . ?
B4 B3 B6 B10 -100.73(15) . . . . ?
B7 B3 B6 B10 37.36(13) . . . . ?
C14 B5 B6 B4 -38.65(12) . . . . ?
B9 B5 B6 B4 -100.25(14) . . . . ?
B10 B5 B6 B4 -137.84(14) . . . . ?
C14 B5 B6 B3 -1.38(18) . . . . ?
B9 B5 B6 B3 -62.98(17) . . . . ?
B10 B5 B6 B3 -100.58(15) . . . . ?
B4 B5 B6 B3 37.27(13) . . . . ?
C14 B5 B6 B7 62.18(16) . . . . ?
B9 B5 B6 B7 0.58(18) . . . . ?
B10 B5 B6 B7 -37.02(13) . . . . ?
B4 B5 B6 B7 100.83(15) . . . . ?
C14 B5 B6 B10 99.20(14) . . . . ?
B9 B5 B6 B10 37.60(13) . . . . ?
B4 B5 B6 B10 137.84(14) . . . . ?
C15 B2 B7 B10 -62.68(18) . . . . ?
B1 B2 B7 B10 -0.59(19) . . . . ?
B8 B2 B7 B10 37.19(14) . . . . ?
B3 B2 B7 B10 -100.85(15) . . . . ?
C15 B2 B7 B6 0.88(19) . . . . ?
B1 B2 B7 B6 62.97(18) . . . . ?
B8 B2 B7 B6 100.75(16) . . . . ?
B3 B2 B7 B6 -37.29(14) . . . . ?
C15 B2 B7 B3 38.16(13) . . . . ?
B1 B2 B7 B3 100.25(15) . . . . ?
B8 B2 B7 B3 138.03(15) . . . . ?
C15 B2 B7 B8 -99.87(15) . . . . ?
B1 B2 B7 B8 -37.78(14) . . . . ?
B3 B2 B7 B8 -138.03(15) . . . . ?
B4 B6 B7 B2 -0.17(19) . . . . ?
B3 B6 B7 B2 37.26(14) . . . . ?
B5 B6 B7 B2 -63.78(18) . . . . ?
B10 B6 B7 B2 -100.84(16) . . . . ?
B4 B6 B7 B10 100.67(15) . . . . ?
B3 B6 B7 B10 138.10(14) . . . . ?
B5 B6 B7 B10 37.05(13) . . . . ?
B4 B6 B7 B3 -37.43(13) . . . . ?
B5 B6 B7 B3 -101.04(14) . . . . ?
B10 B6 B7 B3 -138.10(14) . . . . ?
B4 B6 B7 B8 62.79(18) . . . . ?
B3 B6 B7 B8 100.22(15) . . . . ?
B5 B6 B7 B8 -0.82(18) . . . . ?
B10 B6 B7 B8 -37.87(13) . . . . ?
C15 B3 B7 B2 -38.37(13) . . . . ?
B4 B3 B7 B2 -100.74(14) . . . . ?
B6 B3 B7 B2 -138.15(15) . . . . ?
C15 B3 B7 B10 62.23(17) . . . . ?
B2 B3 B7 B10 100.60(15) . . . . ?
B4 B3 B7 B10 -0.13(18) . . . . ?
B6 B3 B7 B10 -37.54(13) . . . . ?
C15 B3 B7 B6 99.77(14) . . . . ?
B2 B3 B7 B6 138.15(15) . . . . ?
B4 B3 B7 B6 37.41(13) . . . . ?
C15 B3 B7 B8 -1.15(19) . . . . ?
B2 B3 B7 B8 37.22(14) . . . . ?
B4 B3 B7 B8 -63.52(18) . . . . ?
B6 B3 B7 B8 -100.93(16) . . . . ?
C15 B2 B8 B9 -0.59(18) . . . . ?
B1 B2 B8 B9 37.69(13) . . . . ?
B3 B2 B8 B9 -62.43(17) . . . . ?
B7 B2 B8 B9 -100.25(15) . . . . ?
C15 B2 B8 B1 -38.28(12) . . . . ?
B3 B2 B8 B1 -100.12(14) . . . . ?
B7 B2 B8 B1 -137.94(15) . . . . ?
C15 B2 B8 B10 62.72(17) . . . . ?
B1 B2 B8 B10 101.00(15) . . . . ?
B3 B2 B8 B10 0.88(18) . . . . ?
B7 B2 B8 B10 -36.94(14) . . . . ?
C15 B2 B8 B7 99.66(15) . . . . ?
B1 B2 B8 B7 137.94(15) . . . . ?
B3 B2 B8 B7 37.82(13) . . . . ?
C15 B1 B8 B9 -99.80(14) . . . . ?
C14 B1 B8 B9 -37.69(12) . . . . ?
B2 B1 B8 B9 -138.17(15) . . . . ?
C15 B1 B8 B2 38.38(13) . . . . ?
C14 B1 B8 B2 100.49(14) . . . . ?
B9 B1 B8 B2 138.17(15) . . . . ?
C15 B1 B8 B10 -61.90(17) . . . . ?
C14 B1 B8 B10 0.21(18) . . . . ?
B2 B1 B8 B10 -100.27(16) . . . . ?
B9 B1 B8 B10 37.90(14) . . . . ?
C15 B1 B8 B7 1.04(18) . . . . ?
C14 B1 B8 B7 63.15(17) . . . . ?
B2 B1 B8 B7 -37.34(14) . . . . ?
B9 B1 B8 B7 100.84(15) . . . . ?
B2 B7 B8 B9 101.21(15) . . . . ?
B10 B7 B8 B9 -37.19(13) . . . . ?
B6 B7 B8 B9 0.75(19) . . . . ?
B3 B7 B8 B9 63.92(18) . . . . ?
B10 B7 B8 B2 -138.40(15) . . . . ?
B6 B7 B8 B2 -100.46(15) . . . . ?
B3 B7 B8 B2 -37.30(14) . . . . ?
B2 B7 B8 B1 37.37(13) . . . . ?
B10 B7 B8 B1 -101.03(15) . . . . ?
B6 B7 B8 B1 -63.09(18) . . . . ?
B3 B7 B8 B1 0.07(19) . . . . ?
B2 B7 B8 B10 138.40(15) . . . . ?
B6 B7 B8 B10 37.94(13) . . . . ?
B3 B7 B8 B10 101.10(16) . . . . ?
B2 B8 B9 C14 0.89(18) . . . . ?
B1 B8 B9 C14 38.24(12) . . . . ?
B10 B8 B9 C14 -99.29(14) . . . . ?
B7 B8 B9 C14 -62.23(17) . . . . ?
B2 B8 B9 B10 100.18(15) . . . . ?
B1 B8 B9 B10 137.54(14) . . . . ?
B7 B8 B9 B10 37.06(13) . . . . ?
B2 B8 B9 B5 62.72(17) . . . . ?
B1 B8 B9 B5 100.08(14) . . . . ?
B10 B8 B9 B5 -37.46(13) . . . . ?
B7 B8 B9 B5 -0.40(18) . . . . ?
B2 B8 B9 B1 -37.36(13) . . . . ?
B10 B8 B9 B1 -137.54(14) . . . . ?
B7 B8 B9 B1 -100.48(15) . . . . ?
B6 B5 B9 C14 97.85(14) . . . . ?
B10 B5 B9 C14 135.57(14) . . . . ?
B4 B5 B9 C14 34.73(12) . . . . ?
C14 B5 B9 B8 -97.96(14) . . . . ?
B6 B5 B9 B8 -0.11(18) . . . . ?
B10 B5 B9 B8 37.61(14) . . . . ?
B4 B5 B9 B8 -63.23(17) . . . . ?
C14 B5 B9 B10 -135.57(14) . . . . ?
B6 B5 B9 B10 -37.72(13) . . . . ?
B4 B5 B9 B10 -100.84(15) . . . . ?
C14 B5 B9 B1 -34.75(12) . . . . ?
B6 B5 B9 B1 63.10(16) . . . . ?
B10 B5 B9 B1 100.82(15) . . . . ?
B4 B5 B9 B1 -0.02(18) . . . . ?
C15 B1 B9 C14 -36.52(11) . . . . ?
B2 B1 B9 C14 -98.75(14) . . . . ?
B8 B1 B9 C14 -136.12(14) . . . . ?
C15 B1 B9 B8 99.60(14) . . . . ?
C14 B1 B9 B8 136.12(14) . . . . ?
B2 B1 B9 B8 37.37(13) . . . . ?
C15 B1 B9 B10 61.52(16) . . . . ?
C14 B1 B9 B10 98.04(14) . . . . ?
B2 B1 B9 B10 -0.71(18) . . . . ?
B8 B1 B9 B10 -38.08(13) . . . . ?
C15 B1 B9 B5 -1.89(17) . . . . ?
C14 B1 B9 B5 34.62(12) . . . . ?
B2 B1 B9 B5 -64.12(17) . . . . ?
B8 B1 B9 B5 -101.50(15) . . . . ?
C14 B9 B10 B7 62.35(17) . . . . ?
B8 B9 B10 B7 -37.45(14) . . . . ?
B5 B9 B10 B7 100.83(15) . . . . ?
B1 B9 B10 B7 0.34(18) . . . . ?
C14 B9 B10 B5 -38.48(12) . . . . ?
B8 B9 B10 B5 -138.27(15) . . . . ?
B1 B9 B10 B5 -100.48(14) . . . . ?
C14 B9 B10 B6 -1.00(18) . . . . ?
B8 B9 B10 B6 -100.79(16) . . . . ?
B5 B9 B10 B6 37.48(13) . . . . ?
B1 B9 B10 B6 -63.00(17) . . . . ?
C14 B9 B10 B8 99.79(15) . . . . ?
B5 B9 B10 B8 138.27(15) . . . . ?
B1 B9 B10 B8 37.79(13) . . . . ?
B2 B7 B10 B9 0.15(19) . . . . ?
B6 B7 B10 B9 -100.45(15) . . . . ?
B3 B7 B10 B9 -63.05(18) . . . . ?
B8 B7 B10 B9 37.15(13) . . . . ?
B2 B7 B10 B5 63.56(18) . . . . ?
B6 B7 B10 B5 -37.04(13) . . . . ?
B3 B7 B10 B5 0.36(18) . . . . ?
B8 B7 B10 B5 100.56(15) . . . . ?
B2 B7 B10 B6 100.60(15) . . . . ?
B3 B7 B10 B6 37.40(13) . . . . ?
B8 B7 B10 B6 137.60(14) . . . . ?
B2 B7 B10 B8 -37.00(14) . . . . ?
B6 B7 B10 B8 -137.60(14) . . . . ?
B3 B7 B10 B8 -100.20(15) . . . . ?
C14 B5 B10 B9 38.39(12) . . . . ?
B6 B5 B10 B9 137.91(14) . . . . ?
B4 B5 B10 B9 100.37(14) . . . . ?
C14 B5 B10 B7 -62.42(17) . . . . ?
B9 B5 B10 B7 -100.82(15) . . . . ?
B6 B5 B10 B7 37.09(13) . . . . ?
B4 B5 B10 B7 -0.45(18) . . . . ?
C14 B5 B10 B6 -99.51(14) . . . . ?
B9 B5 B10 B6 -137.91(14) . . . . ?
B4 B5 B10 B6 -37.54(12) . . . . ?
C14 B5 B10 B8 1.30(18) . . . . ?
B9 B5 B10 B8 -37.09(14) . . . . ?
B6 B5 B10 B8 100.82(16) . . . . ?
B4 B5 B10 B8 63.28(17) . . . . ?
B4 B6 B10 B9 0.19(19) . . . . ?
B3 B6 B10 B9 63.52(18) . . . . ?
B5 B6 B10 B9 -37.53(13) . . . . ?
B7 B6 B10 B9 100.99(15) . . . . ?
B4 B6 B10 B7 -100.79(15) . . . . ?
B3 B6 B10 B7 -37.47(13) . . . . ?
B5 B6 B10 B7 -138.52(14) . . . . ?
B4 B6 B10 B5 37.73(13) . . . . ?
B3 B6 B10 B5 101.05(14) . . . . ?
B7 B6 B10 B5 138.52(14) . . . . ?
B4 B6 B10 B8 -62.79(18) . . . . ?
B3 B6 B10 B8 0.53(19) . . . . ?
B5 B6 B10 B8 -100.52(15) . . . . ?
B7 B6 B10 B8 38.00(13) . . . . ?
B2 B8 B10 B9 -101.30(15) . . . . ?
B1 B8 B10 B9 -38.18(13) . . . . ?
B7 B8 B10 B9 -138.28(15) . . . . ?
B9 B8 B10 B7 138.28(15) . . . . ?
B2 B8 B10 B7 36.98(13) . . . . ?
B1 B8 B10 B7 100.10(16) . . . . ?
B9 B8 B10 B5 37.23(13) . . . . ?
B2 B8 B10 B5 -64.08(18) . . . . ?
B1 B8 B10 B5 -1.0(2) . . . . ?
B7 B8 B10 B5 -101.05(15) . . . . ?
B9 B8 B10 B6 100.43(15) . . . . ?
B2 B8 B10 B6 -0.87(19) . . . . ?
B1 B8 B10 B6 62.26(18) . . . . ?
B7 B8 B10 B6 -37.84(14) . . . . ?
C10 C1 C2 C3 -2.2(2) . . . . ?
C10 C1 C2 C14 179.42(14) . . . . ?
C1 C2 C3 C4 1.4(2) . . . . ?
C14 C2 C3 C4 179.78(15) . . . . ?
C2 C3 C4 C11 0.0(3) . . . . ?
C12 C5 C6 C7 0.4(3) . . . . ?
C5 C6 C7 C8 -0.7(3) . . . . ?
C6 C7 C8 C13 0.2(3) . . . . ?
C2 C1 C10 C11 1.5(2) . . . . ?
C2 C1 C10 C9 -177.87(15) . . . . ?
C13 C9 C10 C1 179.64(15) . . . . ?
C16 C9 C10 C1 61.1(2) . . . . ?
C17 C9 C10 C1 -62.0(2) . . . . ?
C13 C9 C10 C11 0.19(17) . . . . ?
C16 C9 C10 C11 -118.34(16) . . . . ?
C17 C9 C10 C11 118.57(15) . . . . ?
C3 C4 C11 C10 -0.7(2) . . . . ?
C3 C4 C11 C12 179.58(16) . . . . ?
C1 C10 C11 C4 -0.1(2) . . . . ?
C9 C10 C11 C4 179.41(14) . . . . ?
C1 C10 C11 C12 179.70(14) . . . . ?
C9 C10 C11 C12 -0.80(18) . . . . ?
C6 C5 C12 C13 0.5(2) . . . . ?
C6 C5 C12 C11 -179.82(16) . . . . ?
C4 C11 C12 C5 1.2(3) . . . . ?
C10 C11 C12 C5 -178.58(16) . . . . ?
C4 C11 C12 C13 -179.12(17) . . . . ?
C10 C11 C12 C13 1.14(17) . . . . ?
C7 C8 C13 C12 0.7(2) . . . . ?
C7 C8 C13 C9 -179.01(16) . . . . ?
C5 C12 C13 C8 -1.0(2) . . . . ?
C11 C12 C13 C8 179.23(14) . . . . ?
C5 C12 C13 C9 178.71(14) . . . . ?
C11 C12 C13 C9 -1.05(18) . . . . ?
C10 C9 C13 C8 -179.77(16) . . . . ?
C16 C9 C13 C8 -61.9(2) . . . . ?
C17 C9 C13 C8 62.1(2) . . . . ?
C10 C9 C13 C12 0.54(17) . . . . ?
C16 C9 C13 C12 118.45(16) . . . . ?
C17 C9 C13 C12 -117.59(15) . . . . ?
C3 C2 C14 C15 82.12(18) . . . . ?
C1 C2 C14 C15 -99.51(17) . . . . ?
C3 C2 C14 B9 -136.17(16) . . . . ?
C1 C2 C14 B9 42.2(2) . . . . ?
C3 C2 C14 B5 -62.5(2) . . . . ?
C1 C2 C14 B5 115.86(16) . . . . ?
C3 C2 C14 B4 11.2(2) . . . . ?
C1 C2 C14 B4 -170.45(13) . . . . ?
C3 C2 C14 B1 151.55(15) . . . . ?
C1 C2 C14 B1 -30.1(2) . . . . ?
B8 B9 C14 C2 -146.01(14) . . . . ?
B10 B9 C14 C2 150.89(14) . . . . ?
B5 B9 C14 C2 111.81(15) . . . . ?
B1 B9 C14 C2 -107.46(15) . . . . ?
B8 B9 C14 C15 -0.86(16) . . . . ?
B10 B9 C14 C15 -63.96(16) . . . . ?
B5 B9 C14 C15 -103.04(13) . . . . ?
B1 B9 C14 C15 37.69(12) . . . . ?
B8 B9 C14 B5 102.18(15) . . . . ?
B10 B9 C14 B5 39.08(13) . . . . ?
B1 B9 C14 B5 140.73(14) . . . . ?
B8 B9 C14 B4 64.62(16) . . . . ?
B10 B9 C14 B4 1.52(18) . . . . ?
B5 B9 C14 B4 -37.57(13) . . . . ?
B1 B9 C14 B4 103.17(14) . . . . ?
B8 B9 C14 B1 -38.55(12) . . . . ?
B10 B9 C14 B1 -101.65(15) . . . . ?
B5 B9 C14 B1 -140.73(14) . . . . ?
B9 B5 C14 C2 -109.42(16) . . . . ?
B6 B5 C14 C2 148.79(14) . . . . ?
B10 B5 C14 C2 -148.40(14) . . . . ?
B4 B5 C14 C2 109.83(16) . . . . ?
B9 B5 C14 C15 102.87(14) . . . . ?
B6 B5 C14 C15 1.09(16) . . . . ?
B10 B5 C14 C15 63.89(16) . . . . ?
B4 B5 C14 C15 -37.87(12) . . . . ?
B6 B5 C14 B9 -101.79(15) . . . . ?
B10 B5 C14 B9 -38.98(13) . . . . ?
B4 B5 C14 B9 -140.74(14) . . . . ?
B9 B5 C14 B4 140.74(14) . . . . ?
B6 B5 C14 B4 38.96(12) . . . . ?
B10 B5 C14 B4 101.77(15) . . . . ?
B9 B5 C14 B1 37.74(13) . . . . ?
B6 B5 C14 B1 -64.05(16) . . . . ?
B10 B5 C14 B1 -1.24(18) . . . . ?
B4 B5 C14 B1 -103.01(14) . . . . ?
C15 B4 C14 C2 109.82(15) . . . . ?
B6 B4 C14 C2 -150.64(14) . . . . ?
B3 B4 C14 C2 146.59(13) . . . . ?
B5 B4 C14 C2 -111.64(15) . . . . ?
B6 B4 C14 C15 99.53(14) . . . . ?
B3 B4 C14 C15 36.77(11) . . . . ?
B5 B4 C14 C15 138.54(13) . . . . ?
C15 B4 C14 B9 -100.93(13) . . . . ?
B6 B4 C14 B9 -1.39(17) . . . . ?
B3 B4 C14 B9 -64.16(16) . . . . ?
B5 B4 C14 B9 37.61(13) . . . . ?
C15 B4 C14 B5 -138.54(13) . . . . ?
B6 B4 C14 B5 -39.01(13) . . . . ?
B3 B4 C14 B5 -101.77(14) . . . . ?
C15 B4 C14 B1 -32.61(12) . . . . ?
B6 B4 C14 B1 66.92(16) . . . . ?
B3 B4 C14 B1 4.16(16) . . . . ?
B5 B4 C14 B1 105.93(14) . . . . ?
C15 B1 C14 C2 -110.71(14) . . . . ?
B2 B1 C14 C2 -148.18(14) . . . . ?
B8 B1 C14 C2 149.10(14) . . . . ?
B9 B1 C14 C2 110.76(15) . . . . ?
B2 B1 C14 C15 -37.47(12) . . . . ?
B8 B1 C14 C15 -100.18(14) . . . . ?
B9 B1 C14 C15 -138.53(13) . . . . ?
C15 B1 C14 B9 138.53(13) . . . . ?
B2 B1 C14 B9 101.06(15) . . . . ?
B8 B1 C14 B9 38.34(13) . . . . ?
C15 B1 C14 B5 100.84(13) . . . . ?
B2 B1 C14 B5 63.37(17) . . . . ?
B8 B1 C14 B5 0.65(18) . . . . ?
B9 B1 C14 B5 -37.69(13) . . . . ?
C15 B1 C14 B4 32.75(12) . . . . ?
B2 B1 C14 B4 -4.72(17) . . . . ?
B8 B1 C14 B4 -67.43(16) . . . . ?
B9 B1 C14 B4 -105.78(14) . . . . ?
C2 C14 C15 B3 -148.39(14) . . . . ?
B9 C14 C15 B3 66.74(16) . . . . ?
B5 C14 C15 B3 -0.37(17) . . . . ?
B4 C14 C15 B3 -39.09(12) . . . . ?
B1 C14 C15 B3 105.54(14) . . . . ?
C2 C14 C15 B1 106.07(15) . . . . ?
B9 C14 C15 B1 -38.80(12) . . . . ?
B5 C14 C15 B1 -105.92(14) . . . . ?
B4 C14 C15 B1 -144.63(13) . . . . ?
C2 C14 C15 B2 145.38(14) . . . . ?
B9 C14 C15 B2 0.51(16) . . . . ?
B5 C14 C15 B2 -66.60(15) . . . . ?
B4 C14 C15 B2 -105.32(13) . . . . ?
B1 C14 C15 B2 39.31(12) . . . . ?
C2 C14 C15 B4 -109.30(15) . . . . ?
B9 C14 C15 B4 105.83(13) . . . . ?
B5 C14 C15 B4 38.72(12) . . . . ?
B1 C14 C15 B4 144.63(13) . . . . ?
C2 C14 C15 Si1 -2.15(19) . . . . ?
B9 C14 C15 Si1 -147.02(12) . . . . ?
B5 C14 C15 Si1 145.87(11) . . . . ?
B4 C14 C15 Si1 107.15(13) . . . . ?
B1 C14 C15 Si1 -108.22(13) . . . . ?
B2 B3 C15 C14 -102.01(14) . . . . ?
B4 B3 C15 C14 38.30(12) . . . . ?
B6 B3 C15 C14 -0.51(17) . . . . ?
B7 B3 C15 C14 -63.31(16) . . . . ?
B2 B3 C15 B1 -36.80(13) . . . . ?
B4 B3 C15 B1 103.51(14) . . . . ?
B6 B3 C15 B1 64.70(17) . . . . ?
B7 B3 C15 B1 1.91(18) . . . . ?
B4 B3 C15 B2 140.31(14) . . . . ?
B6 B3 C15 B2 101.50(15) . . . . ?
B7 B3 C15 B2 38.70(14) . . . . ?
B2 B3 C15 B4 -140.31(14) . . . . ?
B6 B3 C15 B4 -38.80(13) . . . . ?
B7 B3 C15 B4 -101.60(15) . . . . ?
B2 B3 C15 Si1 110.42(14) . . . . ?
B4 B3 C15 Si1 -109.27(13) . . . . ?
B6 B3 C15 Si1 -148.08(12) . . . . ?
B7 B3 C15 Si1 149.12(12) . . . . ?
B2 B1 C15 C14 137.23(13) . . . . ?
B8 B1 C15 C14 98.45(14) . . . . ?
B9 B1 C15 C14 35.97(11) . . . . ?
C14 B1 C15 B3 -100.32(13) . . . . ?
B2 B1 C15 B3 36.92(13) . . . . ?
B8 B1 C15 B3 -1.87(18) . . . . ?
B9 B1 C15 B3 -64.34(16) . . . . ?
C14 B1 C15 B2 -137.23(13) . . . . ?
B8 B1 C15 B2 -38.78(13) . . . . ?
B9 B1 C15 B2 -101.26(14) . . . . ?
C14 B1 C15 B4 -32.74(12) . . . . ?
B2 B1 C15 B4 104.49(14) . . . . ?
B8 B1 C15 B4 65.71(16) . . . . ?
B9 B1 C15 B4 3.23(17) . . . . ?
C14 B1 C15 Si1 112.70(12) . . . . ?
B2 B1 C15 Si1 -110.06(13) . . . . ?
B8 B1 C15 Si1 -148.85(12) . . . . ?
B9 B1 C15 Si1 148.68(11) . . . . ?
B1 B2 C15 C14 -38.73(12) . . . . ?
B8 B2 C15 C14 0.06(17) . . . . ?
B3 B2 C15 C14 102.38(13) . . . . ?
B7 B2 C15 C14 63.49(16) . . . . ?
B1 B2 C15 B3 -141.11(14) . . . . ?
B8 B2 C15 B3 -102.32(15) . . . . ?
B7 B2 C15 B3 -38.89(14) . . . . ?
B8 B2 C15 B1 38.80(13) . . . . ?
B3 B2 C15 B1 141.11(14) . . . . ?
B7 B2 C15 B1 102.22(15) . . . . ?
B1 B2 C15 B4 -103.55(14) . . . . ?
B8 B2 C15 B4 -64.75(17) . . . . ?
B3 B2 C15 B4 37.57(13) . . . . ?
B7 B2 C15 B4 -1.32(18) . . . . ?
B1 B2 C15 Si1 109.78(13) . . . . ?
B8 B2 C15 Si1 148.57(12) . . . . ?
B3 B2 C15 Si1 -109.11(13) . . . . ?
B7 B2 C15 Si1 -148.00(12) . . . . ?
B6 B4 C15 C14 -98.87(13) . . . . ?
B3 B4 C15 C14 -137.67(13) . . . . ?
B5 B4 C15 C14 -36.09(11) . . . . ?
C14 B4 C15 B3 137.67(13) . . . . ?
B6 B4 C15 B3 38.81(13) . . . . ?
B5 B4 C15 B3 101.59(14) . . . . ?
C14 B4 C15 B1 32.84(12) . . . . ?
B6 B4 C15 B1 -66.03(15) . . . . ?
B3 B4 C15 B1 -104.84(14) . . . . ?
B5 B4 C15 B1 -3.25(17) . . . . ?
C14 B4 C15 B2 100.08(14) . . . . ?
B6 B4 C15 B2 1.22(17) . . . . ?
B3 B4 C15 B2 -37.59(13) . . . . ?
B5 B4 C15 B2 64.00(16) . . . . ?
C14 B4 C15 Si1 -112.90(12) . . . . ?
B6 B4 C15 Si1 148.24(11) . . . . ?
B3 B4 C15 Si1 109.43(13) . . . . ?
B5 B4 C15 Si1 -148.98(11) . . . . ?

_refine_diff_density_max         0.219
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.036



####################################################################### 
# 
# 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_6CP
_audit_block_doi                 10.5517/ccdc.csd.cc2l61xs
_database_code_depnum_ccdc_archive 'CCDC 2389105'
loop_
_audit_author_name
_audit_author_address
'Kang Mun Lee'
;Kangwon National University
South Korea
;
_audit_update_record             
;
2024-10-07 deposited with the CCDC.	2024-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H38 B10 Si'
_chemical_formula_weight         594.84

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.5149(7)
_cell_length_b                   14.8401(10)
_cell_length_c                   21.6004(15)
_cell_angle_alpha                103.837(2)
_cell_angle_beta                 95.280(2)
_cell_angle_gamma                99.771(2)
_cell_volume                     3497.9(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    203(2)
_cell_measurement_reflns_used    9609
_cell_measurement_theta_min      2.72
_cell_measurement_theta_max      25.97

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_F_000             1248
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.159
_exptl_crystal_size_mid          0.132
_exptl_crystal_size_min          0.039
_exptl_absorpt_coefficient_mu    0.092
_shelx_estimated_absorpt_T_min   0.986
_shelx_estimated_absorpt_T_max   0.996
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6532
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      203(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'IuS 3.0 Microfocus'
_diffrn_measurement_device_type  'PHOTON II 14 CPAD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            101254
_diffrn_reflns_av_unetI/netI     0.0656
_diffrn_reflns_av_R_equivalents  0.1092
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.477
_diffrn_reflns_theta_max         25.983
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             13635
_reflns_number_gt                8887
_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.
 
 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.
;

_computing_data_collection       'Bruker APEX5 software'
_computing_cell_refinement       'Bruker APEX5 software'
_computing_data_reduction        'Bruker APEX5 software'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0282P)²+2.7221P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13635
_refine_ls_number_parameters     978
_refine_ls_number_restraints     954
_refine_ls_R_factor_all          0.1139
_refine_ls_R_factor_gt           0.0680
_refine_ls_wR_factor_ref         0.1368
_refine_ls_wR_factor_gt          0.1155
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.5301(3) 0.4215(2) 0.57848(15) 0.0352(7) Uani 1 1 d . . . . .
H1 H 0.475953 0.401111 0.529678 0.042 Uiso 1 1 calc R U . . .
B2 B 0.6382(3) 0.5292(2) 0.60628(15) 0.0376(7) Uani 1 1 d . . . . .
H2 H 0.653802 0.580905 0.576281 0.045 Uiso 1 1 calc R U . . .
B3 B 0.7566(3) 0.5069(2) 0.65594(15) 0.0362(7) Uani 1 1 d . . . . .
H3 H 0.850982 0.543847 0.658966 0.043 Uiso 1 1 calc R U . . .
B4 B 0.7190(3) 0.3864(2) 0.65808(14) 0.0335(7) Uani 1 1 d . . . . .
H4 H 0.788656 0.342849 0.661563 0.040 Uiso 1 1 calc R U . . .
B5 B 0.5887(3) 0.3710(2) 0.69526(14) 0.0351(7) Uani 1 1 d . . . . .
H5 H 0.572648 0.318141 0.724441 0.042 Uiso 1 1 calc R U . . .
B6 B 0.6986(3) 0.4772(2) 0.72344(15) 0.0365(7) Uani 1 1 d . . . . .
H6 H 0.754973 0.495019 0.771461 0.044 Uiso 1 1 calc R U . . .
B7 B 0.6478(3) 0.5660(2) 0.69165(16) 0.0401(8) Uani 1 1 d . . . . .
H7 H 0.670001 0.642613 0.718611 0.048 Uiso 1 1 calc R U . . .
B8 B 0.5080(3) 0.5134(2) 0.64324(16) 0.0409(8) Uani 1 1 d . . . . .
H8 H 0.437502 0.555661 0.637880 0.049 Uiso 1 1 calc R U . . .
B9 B 0.4708(3) 0.3936(2) 0.64615(15) 0.0370(7) Uani 1 1 d . . . . .
H9 H 0.376274 0.356673 0.642615 0.044 Uiso 1 1 calc R U . . .
B10 B 0.5447(3) 0.4822(2) 0.71641(15) 0.0382(7) Uani 1 1 d . . . . .
H10 H 0.499282 0.503618 0.759736 0.046 Uiso 1 1 calc R U . . .
C1 C 0.8546(2) 0.36591(18) 0.54041(13) 0.0341(6) Uani 1 1 d . . . . .
H1A H 0.890232 0.366276 0.581945 0.041 Uiso 1 1 calc R U . . .
C2 C 0.7445(2) 0.39255(18) 0.53265(12) 0.0318(6) Uani 1 1 d . . . . .
C3 C 0.6967(2) 0.39673(19) 0.47192(13) 0.0368(6) Uani 1 1 d . . . . .
H3A H 0.623153 0.416823 0.466905 0.044 Uiso 1 1 calc R U . . .
C4 C 0.7546(2) 0.37209(19) 0.41882(13) 0.0369(6) Uani 1 1 d . . . . .
H4A H 0.721647 0.375744 0.377743 0.044 Uiso 1 1 calc R U . . .
C5 C 0.9279(3) 0.2977(2) 0.31321(15) 0.0510(8) Uani 1 1 d . . . . .
H5A H 0.864308 0.316830 0.291728 0.061 Uiso 1 1 calc R U . . .
C6 C 1.0125(3) 0.2595(2) 0.27945(17) 0.0601(9) Uani 1 1 d . . . . .
H6A H 1.006841 0.252173 0.234295 0.072 Uiso 1 1 calc R U . . .
C7 C 1.1049(3) 0.2320(2) 0.31091(18) 0.0616(10) Uani 1 1 d . . . . .
H7A H 1.161497 0.205202 0.286932 0.074 Uiso 1 1 calc R U . . .
C8 C 1.1165(3) 0.2429(2) 0.37696(17) 0.0538(8) Uani 1 1 d . . . . .
H8A H 1.180476 0.223905 0.398249 0.065 Uiso 1 1 calc R U . . .
C9 C 1.0270(2) 0.3021(2) 0.48320(14) 0.0402(7) Uani 1 1 d . . . . .
C10 C 0.9115(2) 0.33893(18) 0.48707(13) 0.0350(6) Uani 1 1 d . . . . .
C11 C 0.8613(2) 0.34205(18) 0.42636(13) 0.0354(6) Uani 1 1 d . . . . .
C12 C 0.9382(2) 0.30738(19) 0.37895(14) 0.0407(7) Uani 1 1 d . . . . .
C13 C 1.0330(2) 0.28193(19) 0.41132(14) 0.0421(7) Uani 1 1 d . . . . .
C14 C 0.6813(2) 0.42200(18) 0.58995(12) 0.0307(6) Uani 1 1 d . . . . .
C15 C 0.5790(2) 0.33904(18) 0.61379(12) 0.0310(6) Uani 1 1 d . . . . .
C16 C 1.0206(3) 0.2127(2) 0.50722(18) 0.0618(9) Uani 1 1 d . . . . .
H16A H 1.092541 0.187017 0.499790 0.093 Uiso 1 1 calc R U . . .
H16B H 0.950526 0.165494 0.483885 0.093 Uiso 1 1 calc R U . . .
H16C H 1.014585 0.228369 0.553386 0.093 Uiso 1 1 calc R U . . .
C17 C 1.1330(2) 0.3789(2) 0.52144(15) 0.0564(9) Uani 1 1 d . . . . .
H17A H 1.206837 0.355088 0.516422 0.085 Uiso 1 1 calc R U . . .
H17B H 1.122967 0.395076 0.567091 0.085 Uiso 1 1 calc R U . . .
H17C H 1.136695 0.435406 0.505182 0.085 Uiso 1 1 calc R U . . .
Si1 Si 0.54054(6) 0.20501(5) 0.56942(3) 0.03297(18) Uani 1 1 d . . . . .
C18 C 0.5485(2) 0.18886(19) 0.48144(12) 0.0352(6) Uani 1 1 d . . . . .
C19 C 0.4663(2) 0.2188(2) 0.44272(13) 0.0429(7) Uani 1 1 d . . . . .
H19 H 0.405953 0.247768 0.461553 0.051 Uiso 1 1 calc R U . . .
C20 C 0.4714(3) 0.2068(2) 0.37739(14) 0.0519(8) Uani 1 1 d . . . . .
H20 H 0.415880 0.228190 0.351864 0.062 Uiso 1 1 calc R U . . .
C21 C 0.5583(3) 0.1633(2) 0.34969(15) 0.0572(9) Uani 1 1 d . . . . .
H21 H 0.562754 0.155426 0.305079 0.069 Uiso 1 1 calc R U . . .
C22 C 0.6378(3) 0.1315(2) 0.38642(15) 0.0538(8) Uani 1 1 d . . . . .
H22 H 0.695952 0.100496 0.366905 0.065 Uiso 1 1 calc R U . . .
C23 C 0.6337(2) 0.14439(19) 0.45175(14) 0.0419(7) Uani 1 1 d . . . . .
H23 H 0.689804 0.122618 0.476709 0.050 Uiso 1 1 calc R U . . .
C24 C 0.6470(2) 0.14506(18) 0.60752(12) 0.0348(6) Uani 1 1 d . . . . .
C25 C 0.7693(2) 0.1629(2) 0.60383(13) 0.0403(7) Uani 1 1 d . . . . .
H25 H 0.799538 0.206110 0.580345 0.048 Uiso 1 1 calc R U . . .
C26 C 0.8476(3) 0.1195(2) 0.63337(14) 0.0466(7) Uani 1 1 d . . . . .
H26 H 0.930168 0.133878 0.630528 0.056 Uiso 1 1 calc R U . . .
C27 C 0.8054(3) 0.0552(2) 0.66694(15) 0.0537(8) Uani 1 1 d . . . . .
H27 H 0.858630 0.025398 0.687389 0.064 Uiso 1 1 calc R U . . .
C28 C 0.6853(3) 0.0348(2) 0.67045(15) 0.0536(8) Uani 1 1 d . . . . .
H28 H 0.655707 -0.009952 0.692964 0.064 Uiso 1 1 calc R U . . .
C29 C 0.6072(3) 0.0790(2) 0.64146(13) 0.0439(7) Uani 1 1 d . . . . .
H29 H 0.524770 0.064125 0.644704 0.053 Uiso 1 1 calc R U . . .
C30 C 0.3849(2) 0.15239(18) 0.57910(13) 0.0351(6) Uani 1 1 d . . . . .
C31 C 0.3407(2) 0.1658(2) 0.63824(13) 0.0420(7) Uani 1 1 d . . . . .
H31 H 0.388583 0.207981 0.675434 0.050 Uiso 1 1 calc R U . . .
C32 C 0.2284(2) 0.1187(2) 0.64386(15) 0.0455(7) Uani 1 1 d . . . . .
H32 H 0.200115 0.129585 0.684409 0.055 Uiso 1 1 calc R U . . .
C33 C 0.1584(2) 0.0563(2) 0.59052(15) 0.0426(7) Uani 1 1 d . . . . .
H33 H 0.082143 0.023499 0.594367 0.051 Uiso 1 1 calc R U . . .
C34 C 0.1992(2) 0.04167(19) 0.53155(14) 0.0410(7) Uani 1 1 d . . . . .
H34 H 0.150536 -0.000621 0.494651 0.049 Uiso 1 1 calc R U . . .
C35 C 0.3117(2) 0.08873(19) 0.52595(13) 0.0374(6) Uani 1 1 d . . . . .
H35 H 0.339181 0.077311 0.485179 0.045 Uiso 1 1 calc R U . . .
B1B B 0.1551(3) 0.4555(2) 0.89401(16) 0.0391(7) Uani 1 1 d . . . . .
H1B H 0.180786 0.481495 0.947455 0.047 Uiso 1 1 calc R U . . .
B2B B 0.0190(3) 0.4702(3) 0.85488(17) 0.0438(8) Uani 1 1 d . . . . .
H2B H -0.044983 0.507216 0.882227 0.053 Uiso 1 1 calc R U . . .
B3B B -0.0302(3) 0.3708(3) 0.78749(15) 0.0418(8) Uani 1 1 d . . . . .
H3B H -0.127078 0.341648 0.769944 0.050 Uiso 1 1 calc R U . . .
B4B B 0.0755(3) 0.2963(2) 0.78655(14) 0.0376(7) Uani 1 1 d . . . . .
H4B H 0.048755 0.217301 0.769226 0.045 Uiso 1 1 calc R U . . .
B5B B 0.2136(3) 0.3580(2) 0.77389(15) 0.0387(7) Uani 1 1 d . . . . .
H5B H 0.278067 0.320437 0.747388 0.046 Uiso 1 1 calc R U . . .
B6B B 0.0770(3) 0.3710(3) 0.73387(16) 0.0434(8) Uani 1 1 d . . . . .
H6B H 0.050805 0.341959 0.680620 0.052 Uiso 1 1 calc R U . . .
B7B B 0.0435(3) 0.4798(3) 0.77610(17) 0.0473(9) Uani 1 1 d . . . . .
H7B H -0.004221 0.523607 0.750951 0.057 Uiso 1 1 calc R U . . .
B8B B 0.1574(3) 0.5322(3) 0.84256(17) 0.0433(8) Uani 1 1 d . . . . .
H8B H 0.184783 0.610843 0.861753 0.052 Uiso 1 1 calc R U . . .
B9B B 0.2623(3) 0.4574(2) 0.84057(15) 0.0388(7) Uani 1 1 d . . . . .
H9B H 0.359121 0.486240 0.858334 0.047 Uiso 1 1 calc R U . . .
B10B B 0.1930(3) 0.4718(3) 0.76720(17) 0.0443(8) Uani 1 1 d . . . . .
H10B H 0.243548 0.509917 0.736050 0.053 Uiso 1 1 calc R U . . .
C1B C -0.1072(17) 0.2133(12) 0.8662(9) 0.031(2) Uani 0.586(17) 1 d . U P A 1
H1BA H -0.119137 0.188382 0.820796 0.037 Uiso 0.586(17) 1 calc R U P A 1
C2B C -0.0293(19) 0.3004(13) 0.8942(7) 0.027(3) Uani 0.586(17) 1 d . U P A 1
C3B C -0.0232(16) 0.3371(10) 0.9621(10) 0.035(3) Uani 0.586(17) 1 d . U P A 1
H3BA H 0.023458 0.398168 0.982199 0.042 Uiso 0.586(17) 1 calc R U P A 1
C4B C -0.0843(13) 0.2853(9) 1.0000(7) 0.036(3) Uani 0.586(17) 1 d . U P A 1
H4BA H -0.078381 0.310998 1.045123 0.043 Uiso 0.586(17) 1 calc R U P A 1
C5B C -0.2305(8) 0.1249(7) 1.0613(4) 0.058(2) Uani 0.586(17) 1 d G U P A 1
H5BA H -0.190141 0.176198 1.096080 0.069 Uiso 0.586(17) 1 calc R U P A 1
C6B C -0.3016(8) 0.0472(7) 1.0734(4) 0.057(2) Uani 0.586(17) 1 d G U P A 1
H6BA H -0.309911 0.045365 1.116424 0.069 Uiso 0.586(17) 1 calc R U P A 1
C7B C -0.3607(7) -0.0279(6) 1.0224(4) 0.057(2) Uani 0.586(17) 1 d G U P A 1
H7BA H -0.409295 -0.080990 1.030697 0.069 Uiso 0.586(17) 1 calc R U P A 1
C8B C -0.3486(8) -0.0252(6) 0.9594(4) 0.0537(19) Uani 0.586(17) 1 d G U P A 1
H8BA H -0.388911 -0.076514 0.924625 0.064 Uiso 0.586(17) 1 calc R U P A 1
C13B C -0.2774(9) 0.0525(7) 0.9473(4) 0.0452(19) Uani 0.586(17) 1 d G U P A 1
C12B C -0.2184(8) 0.1276(7) 0.9983(4) 0.0403(19) Uani 0.586(17) 1 d G U P A 1
C9B C -0.2540(17) 0.0692(12) 0.8835(8) 0.045(3) Uani 0.586(17) 1 d . U P A 1
C10B C -0.1662(17) 0.1639(12) 0.9040(7) 0.034(3) Uani 0.586(17) 1 d . U P A 1
C11B C -0.1523(14) 0.1979(9) 0.9712(8) 0.039(3) Uani 0.586(17) 1 d . U P A 1
C16B C -0.2016(14) -0.0060(12) 0.8419(7) 0.050(3) Uani 0.586(17) 1 d . U P A 1
H16D H -0.184107 0.012083 0.802507 0.074 Uiso 0.586(17) 1 calc R U P A 1
H16E H -0.258697 -0.066407 0.830695 0.074 Uiso 0.586(17) 1 calc R U P A 1
H16F H -0.128055 -0.012731 0.865480 0.074 Uiso 0.586(17) 1 calc R U P A 1
C17B C -0.3643(15) 0.0916(19) 0.8499(12) 0.065(5) Uani 0.586(17) 1 d . U P A 1
H17D H -0.346396 0.106311 0.809460 0.097 Uiso 0.586(17) 1 calc R U P A 1
H17E H -0.387262 0.146148 0.877904 0.097 Uiso 0.586(17) 1 calc R U P A 1
H17F H -0.429838 0.036627 0.840638 0.097 Uiso 0.586(17) 1 calc R U P A 1
C18B C 0.2301(13) 0.2816(9) 0.9747(4) 0.033(2) Uani 0.58(3) 1 d G U P B 1
C19B C 0.1747(12) 0.2000(8) 0.9893(4) 0.044(2) Uani 0.58(3) 1 d G U P B 1
H19B H 0.152331 0.142220 0.956629 0.053 Uiso 0.58(3) 1 calc R U P B 1
C20B C 0.1520(11) 0.2029(9) 1.0518(5) 0.049(2) Uani 0.58(3) 1 d G U P B 1
H20B H 0.114139 0.147141 1.061806 0.059 Uiso 0.58(3) 1 calc R U P B 1
C21B C 0.1847(10) 0.2875(10) 1.0997(4) 0.047(2) Uani 0.58(3) 1 d G U P B 1
H21B H 0.169171 0.289485 1.142351 0.056 Uiso 0.58(3) 1 calc R U P B 1
C22B C 0.2401(11) 0.3691(9) 1.0850(4) 0.044(2) Uani 0.58(3) 1 d G U P B 1
H22B H 0.262396 0.426908 1.117719 0.052 Uiso 0.58(3) 1 calc R U P B 1
C23B C 0.2627(12) 0.3662(8) 1.0225(5) 0.0375(18) Uani 0.58(3) 1 d G U P B 1
H23B H 0.300590 0.421988 1.012542 0.045 Uiso 0.58(3) 1 calc R U P B 1
Si1B Si 0.27041(6) 0.27406(6) 0.89210(3) 0.03460(18) Uani 1 1 d . . . . .
C14B C 0.0407(2) 0.3605(2) 0.85766(13) 0.0360(6) Uani 1 1 d . . . . .
C15B C 0.1878(2) 0.35219(19) 0.84980(12) 0.0332(6) Uani 1 1 d . . . . .
C24B C 0.2419(2) 0.1516(2) 0.83733(13) 0.0378(6) Uani 1 1 d . . . . .
C25B C 0.3347(2) 0.1165(2) 0.80853(13) 0.0419(7) Uani 1 1 d . . . . .
H25B H 0.411689 0.155687 0.816518 0.050 Uiso 1 1 calc R U . . .
C26B C 0.3166(3) 0.0256(2) 0.76855(14) 0.0490(8) Uani 1 1 d . . . . .
H26B H 0.381210 0.003442 0.749706 0.059 Uiso 1 1 calc R U . . .
C27B C 0.2062(3) -0.0328(2) 0.75583(14) 0.0512(8) Uani 1 1 d . . . . .
H27B H 0.194112 -0.094814 0.728095 0.061 Uiso 1 1 calc R U . . .
C28B C 0.1130(3) 0.0000(2) 0.78399(15) 0.0524(8) Uani 1 1 d . . . . .
H28B H 0.036445 -0.039847 0.775873 0.063 Uiso 1 1 calc R U . . .
C29B C 0.1310(3) 0.0907(2) 0.82393(14) 0.0455(7) Uani 1 1 d . . . . .
H29B H 0.065936 0.112051 0.842770 0.055 Uiso 1 1 calc R U . . .
C30B C 0.4347(2) 0.3222(2) 0.90489(13) 0.0376(6) Uani 1 1 d . . . . .
C31B C 0.4990(2) 0.3476(2) 0.85779(14) 0.0445(7) Uani 1 1 d . . . . .
H31B H 0.457678 0.347058 0.817521 0.053 Uiso 1 1 calc R U . . .
C32B C 0.6218(2) 0.3735(2) 0.86876(15) 0.0486(8) Uani 1 1 d . . . . .
H32B H 0.663569 0.390204 0.835914 0.058 Uiso 1 1 calc R U . . .
C33B C 0.6841(3) 0.3754(2) 0.92670(15) 0.0520(8) Uani 1 1 d . . . . .
H33B H 0.768335 0.394142 0.934117 0.062 Uiso 1 1 calc R U . . .
C34B C 0.6233(3) 0.3499(2) 0.97383(15) 0.0544(9) Uani 1 1 d . . . . .
H34B H 0.665834 0.350478 1.013813 0.065 Uiso 1 1 calc R U . . .
C35B C 0.5007(2) 0.3234(2) 0.96318(14) 0.0475(8) Uani 1 1 d . . . . .
H35B H 0.460143 0.305650 0.996086 0.057 Uiso 1 1 calc R U . . .
C1C C -0.095(3) 0.2323(19) 0.8764(13) 0.036(4) Uani 0.414(17) 1 d . U P A 2
H1C H -0.104681 0.207219 0.831060 0.043 Uiso 0.414(17) 1 calc R U P A 2
C2C C -0.022(3) 0.3192(18) 0.9066(12) 0.030(4) Uani 0.414(17) 1 d . U P A 2
C3C C -0.008(2) 0.3605(15) 0.9697(14) 0.031(3) Uani 0.414(17) 1 d . U P A 2
H3C H 0.039818 0.421808 0.986883 0.037 Uiso 0.414(17) 1 calc R U P A 2
C4C C -0.0644(18) 0.3133(12) 1.0090(10) 0.032(3) Uani 0.414(17) 1 d . U P A 2
H4C H -0.054570 0.340772 1.054115 0.038 Uiso 0.414(17) 1 calc R U P A 2
C5C C -0.2119(12) 0.1592(9) 1.0758(5) 0.051(2) Uani 0.414(17) 1 d G U P A 2
H5C H -0.171427 0.213316 1.108513 0.061 Uiso 0.414(17) 1 calc R U P A 2
C6C C -0.2792(11) 0.0836(10) 1.0924(5) 0.062(3) Uani 0.414(17) 1 d G U P A 2
H6C H -0.284758 0.086177 1.136346 0.074 Uiso 0.414(17) 1 calc R U P A 2
C7C C -0.3385(11) 0.0044(9) 1.0446(6) 0.057(3) Uani 0.414(17) 1 d G U P A 2
H7C H -0.384489 -0.047237 1.055862 0.068 Uiso 0.414(17) 1 calc R U P A 2
C8C C -0.3304(12) 0.0007(8) 0.9802(6) 0.063(3) Uani 0.414(17) 1 d G U P A 2
H8C H -0.370891 -0.053513 0.947545 0.076 Uiso 0.414(17) 1 calc R U P A 2
C13C C -0.2631(13) 0.0762(9) 0.9637(5) 0.045(3) Uani 0.414(17) 1 d G U P A 2
C12C C -0.2038(13) 0.1554(8) 1.0115(5) 0.045(3) Uani 0.414(17) 1 d G U P A 2
C9C C -0.242(2) 0.0881(17) 0.8964(11) 0.043(3) Uani 0.414(17) 1 d . U P A 2
C10C C -0.155(2) 0.1830(16) 0.9167(11) 0.035(3) Uani 0.414(17) 1 d . U P A 2
C11C C -0.1368(18) 0.2237(13) 0.9820(9) 0.031(3) Uani 0.414(17) 1 d . U P A 2
C14C C -0.182(2) 0.005(2) 0.8615(10) 0.067(5) Uani 0.414(17) 1 d . U P A 2
H14A H -0.168082 0.011278 0.818608 0.100 Uiso 0.414(17) 1 calc R U P A 2
H14B H -0.234599 -0.056311 0.857539 0.100 Uiso 0.414(17) 1 calc R U P A 2
H14C H -0.105665 0.007199 0.886940 0.100 Uiso 0.414(17) 1 calc R U P A 2
C15C C -0.363(2) 0.079(3) 0.8529(16) 0.059(6) Uani 0.414(17) 1 d . U P A 2
H15A H -0.346888 0.093484 0.812240 0.089 Uiso 0.414(17) 1 calc R U P A 2
H15B H -0.408618 0.123554 0.875408 0.089 Uiso 0.414(17) 1 calc R U P A 2
H15C H -0.408934 0.014245 0.844141 0.089 Uiso 0.414(17) 1 calc R U P A 2
C18C C 0.2181(17) 0.2623(12) 0.9731(6) 0.033(3) Uani 0.42(3) 1 d G U P B 2
C19C C 0.1580(16) 0.1777(11) 0.9817(6) 0.039(2) Uani 0.42(3) 1 d G U P B 2
H19C H 0.137758 0.122825 0.946486 0.047 Uiso 0.42(3) 1 calc R U P B 2
C20C C 0.1275(14) 0.1733(11) 1.0418(7) 0.053(3) Uani 0.42(3) 1 d G U P B 2
H20C H 0.086431 0.115474 1.047747 0.064 Uiso 0.42(3) 1 calc R U P B 2
C21C C 0.1571(13) 0.2536(13) 1.0934(6) 0.049(3) Uani 0.42(3) 1 d G U P B 2
H21C H 0.136252 0.250618 1.134478 0.059 Uiso 0.42(3) 1 calc R U P B 2
C22C C 0.2172(14) 0.3382(12) 1.0847(6) 0.042(3) Uani 0.42(3) 1 d G U P B 2
H22C H 0.237399 0.393113 1.119947 0.050 Uiso 0.42(3) 1 calc R U P B 2
C23C C 0.2477(16) 0.3426(11) 1.0246(6) 0.034(2) Uani 0.42(3) 1 d G U P B 2
H23C H 0.288728 0.400466 1.018686 0.041 Uiso 0.42(3) 1 calc R U P B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
B1 C15 1.732(4) . ?
B1 C14 1.734(4) . ?
B1 B9 1.775(4) . ?
B1 B8 1.776(4) . ?
B1 B2 1.786(4) . ?
B1 H1 1.1200 . ?
B2 C14 1.712(4) . ?
B2 B8 1.770(4) . ?
B2 B3 1.780(4) . ?
B2 B7 1.781(4) . ?
B2 H2 1.1200 . ?
B3 C14 1.707(4) . ?
B3 B6 1.775(4) . ?
B3 B7 1.777(4) . ?
B3 B4 1.780(4) . ?
B3 H3 1.1200 . ?
B4 C14 1.723(4) . ?
B4 C15 1.736(4) . ?
B4 B6 1.768(4) . ?
B4 B5 1.772(4) . ?
B4 H4 1.1200 . ?
B5 C15 1.697(4) . ?
B5 B9 1.773(4) . ?
B5 B10 1.777(4) . ?
B5 B6 1.783(4) . ?
B5 H5 1.1200 . ?
B6 B7 1.780(4) . ?
B6 B10 1.780(4) . ?
B6 H6 1.1200 . ?
B7 B8 1.780(5) . ?
B7 B10 1.782(4) . ?
B7 H7 1.1200 . ?
B8 B9 1.774(5) . ?
B8 B10 1.785(4) . ?
B8 H8 1.1200 . ?
B9 C15 1.712(4) . ?
B9 B10 1.784(4) . ?
B9 H9 1.1200 . ?
B10 H10 1.1200 . ?
C1 C10 1.387(4) . ?
C1 C2 1.398(3) . ?
C1 H1A 0.9500 . ?
C2 C3 1.395(3) . ?
C2 C14 1.506(3) . ?
C3 C4 1.385(4) . ?
C3 H3A 0.9500 . ?
C4 C11 1.384(4) . ?
C4 H4A 0.9500 . ?
C5 C12 1.384(4) . ?
C5 C6 1.387(4) . ?
C5 H5A 0.9500 . ?
C6 C7 1.381(5) . ?
C6 H6A 0.9500 . ?
C7 C8 1.388(5) . ?
C7 H7A 0.9500 . ?
C8 C13 1.389(4) . ?
C8 H8A 0.9500 . ?
C9 C13 1.520(4) . ?
C9 C10 1.523(4) . ?
C9 C16 1.529(4) . ?
C9 C17 1.537(4) . ?
C10 C11 1.398(4) . ?
C11 C12 1.472(4) . ?
C12 C13 1.396(4) . ?
C14 C15 1.758(3) . ?
C15 Si1 1.945(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
Si1 C18 1.870(3) . ?
Si1 C24 1.872(3) . ?
Si1 C30 1.881(3) . ?
C18 C23 1.394(4) . ?
C18 C19 1.402(4) . ?
C19 C20 1.388(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.372(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(4) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C29 1.400(4) . ?
C24 C25 1.401(4) . ?
C25 C26 1.387(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.382(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.377(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.387(4) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C35 1.398(4) . ?
C30 C31 1.401(4) . ?
C31 C32 1.391(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.379(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.380(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.393(4) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
B1B C15B 1.722(4) . ?
B1B C14B 1.729(4) . ?
B1B B9B 1.767(4) . ?
B1B B8B 1.769(5) . ?
B1B B2B 1.783(4) . ?
B1B H1B 1.1200 . ?
B2B C14B 1.703(4) . ?
B2B B8B 1.776(5) . ?
B2B B3B 1.776(5) . ?
B2B B7B 1.785(5) . ?
B2B H2B 1.1200 . ?
B3B C14B 1.707(4) . ?
B3B B6B 1.769(4) . ?
B3B B4B 1.777(4) . ?
B3B B7B 1.778(5) . ?
B3B H3B 1.1200 . ?
B4B C14B 1.724(4) . ?
B4B C15B 1.731(4) . ?
B4B B6B 1.768(5) . ?
B4B B5B 1.774(4) . ?
B4B H4B 1.1200 . ?
B5B C15B 1.712(4) . ?
B5B B9B 1.766(5) . ?
B5B B10B 1.782(5) . ?
B5B B6B 1.787(4) . ?
B5B H5B 1.1200 . ?
B6B B7B 1.778(5) . ?
B6B B10B 1.781(5) . ?
B6B H6B 1.1200 . ?
B7B B10B 1.771(5) . ?
B7B B8B 1.777(5) . ?
B7B H7B 1.1200 . ?
B8B B9B 1.770(4) . ?
B8B B10B 1.781(5) . ?
B8B H8B 1.1200 . ?
B9B C15B 1.714(4) . ?
B9B B10B 1.783(4) . ?
B9B H9B 1.1200 . ?
B10B H10B 1.1200 . ?
C1B C10B 1.37(2) . ?
C1B C2B 1.405(18) . ?
C1B H1BA 0.9500 . ?
C2B C3B 1.43(2) . ?
C2B C14B 1.51(2) . ?
C3B C4B 1.41(2) . ?
C3B H3BA 0.9500 . ?
C4B C11B 1.364(12) . ?
C4B H4BA 0.9500 . ?
C5B C6B 1.3900 . ?
C5B C12B 1.3900 . ?
C5B H5BA 0.9500 . ?
C6B C7B 1.3900 . ?
C6B H6BA 0.9500 . ?
C7B C8B 1.3900 . ?
C7B H7BA 0.9500 . ?
C8B C13B 1.3900 . ?
C8B H8BA 0.9500 . ?
C13B C12B 1.3900 . ?
C13B C9B 1.498(18) . ?
C12B C11B 1.455(16) . ?
C9B C16B 1.50(2) . ?
C9B C10B 1.526(17) . ?
C9B C17B 1.53(3) . ?
C10B C11B 1.402(18) . ?
C16B H16D 0.9800 . ?
C16B H16E 0.9800 . ?
C16B H16F 0.9800 . ?
C17B H17D 0.9800 . ?
C17B H17E 0.9800 . ?
C17B H17F 0.9800 . ?
C18B C19B 1.3900 . ?
C18B C23B 1.3900 . ?
C18B Si1B 1.867(8) . ?
C19B C20B 1.3900 . ?
C19B H19B 0.9500 . ?
C20B C21B 1.3900 . ?
C20B H20B 0.9500 . ?
C21B C22B 1.3900 . ?
C21B H21B 0.9500 . ?
C22B C23B 1.3900 . ?
C22B H22B 0.9500 . ?
C23B H23B 0.9500 . ?
Si1B C24B 1.873(3) . ?
Si1B C30B 1.875(3) . ?
Si1B C18C 1.938(11) . ?
Si1B C15B 1.951(3) . ?
C14B C2C 1.52(3) . ?
C14B C15B 1.740(3) . ?
C24B C29B 1.396(4) . ?
C24B C25B 1.398(4) . ?
C25B C26B 1.386(4) . ?
C25B H25B 0.9500 . ?
C26B C27B 1.375(4) . ?
C26B H26B 0.9500 . ?
C27B C28B 1.384(4) . ?
C27B H27B 0.9500 . ?
C28B C29B 1.384(4) . ?
C28B H28B 0.9500 . ?
C29B H29B 0.9500 . ?
C30B C31B 1.398(4) . ?
C30B C35B 1.404(4) . ?
C31B C32B 1.383(4) . ?
C31B H31B 0.9500 . ?
C32B C33B 1.376(4) . ?
C32B H32B 0.9500 . ?
C33B C34B 1.376(4) . ?
C33B H33B 0.9500 . ?
C34B C35B 1.382(4) . ?
C34B H34B 0.9500 . ?
C35B H35B 0.9500 . ?
C1C C2C 1.39(3) . ?
C1C C10C 1.42(4) . ?
C1C H1C 0.9500 . ?
C2C C3C 1.34(3) . ?
C3C C4C 1.37(3) . ?
C3C H3C 0.9500 . ?
C4C C11C 1.402(17) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.3900 . ?
C5C C12C 1.3900 . ?
C5C H5C 0.9500 . ?
C6C C7C 1.3900 . ?
C6C H6C 0.9500 . ?
C7C C8C 1.3900 . ?
C7C H7C 0.9500 . ?
C8C C13C 1.3900 . ?
C8C H8C 0.9500 . ?
C13C C12C 1.3900 . ?
C13C C9C 1.54(3) . ?
C12C C11C 1.47(2) . ?
C9C C10C 1.52(3) . ?
C9C C15C 1.58(4) . ?
C9C C14C 1.59(4) . ?
C10C C11C 1.38(2) . ?
C14C H14A 0.9800 . ?
C14C H14B 0.9800 . ?
C14C H14C 0.9800 . ?
C15C H15A 0.9800 . ?
C15C H15B 0.9800 . ?
C15C H15C 0.9800 . ?
C18C C19C 1.3900 . ?
C18C C23C 1.3900 . ?
C19C C20C 1.3900 . ?
C19C H19C 0.9500 . ?
C20C C21C 1.3900 . ?
C20C H20C 0.9500 . ?
C21C C22C 1.3900 . ?
C21C H21C 0.9500 . ?
C22C C23C 1.3900 . ?
C22C H22C 0.9500 . ?
C23C H23C 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C15 B1 C14 60.96(15) . . ?
C15 B1 B9 58.42(16) . . ?
C14 B1 B9 107.1(2) . . ?
C15 B1 B8 105.5(2) . . ?
C14 B1 B8 104.9(2) . . ?
B9 B1 B8 59.96(18) . . ?
C15 B1 B2 107.4(2) . . ?
C14 B1 B2 58.17(16) . . ?
B9 B1 B2 108.2(2) . . ?
B8 B1 B2 59.58(18) . . ?
C15 B1 H1 122.4 . . ?
C14 B1 H1 122.9 . . ?
B9 B1 H1 121.9 . . ?
B8 B1 H1 123.4 . . ?
B2 B1 H1 122.0 . . ?
C14 B2 B8 106.1(2) . . ?
C14 B2 B3 58.48(16) . . ?
B8 B2 B3 107.9(2) . . ?
C14 B2 B7 105.5(2) . . ?
B8 B2 B7 60.18(18) . . ?
B3 B2 B7 59.88(17) . . ?
C14 B2 B1 59.38(16) . . ?
B8 B2 B1 59.92(18) . . ?
B3 B2 B1 107.4(2) . . ?
B7 B2 B1 107.8(2) . . ?
C14 B2 H2 123.8 . . ?
B8 B2 H2 121.9 . . ?
B3 B2 H2 122.0 . . ?
B7 B2 H2 122.2 . . ?
B1 B2 H2 121.7 . . ?
C14 B3 B6 106.0(2) . . ?
C14 B3 B7 105.9(2) . . ?
B6 B3 B7 60.12(18) . . ?
C14 B3 B4 59.16(16) . . ?
B6 B3 B4 59.63(17) . . ?
B7 B3 B4 107.5(2) . . ?
C14 B3 B2 58.74(16) . . ?
B6 B3 B2 108.0(2) . . ?
B7 B3 B2 60.07(18) . . ?
B4 B3 B2 107.2(2) . . ?
C14 B3 H3 123.7 . . ?
B6 B3 H3 122.0 . . ?
B7 B3 H3 122.1 . . ?
B4 B3 H3 122.1 . . ?
B2 B3 H3 121.9 . . ?
C14 B4 C15 61.08(15) . . ?
C14 B4 B6 105.6(2) . . ?
C15 B4 B6 106.0(2) . . ?
C14 B4 B5 106.9(2) . . ?
C15 B4 B5 57.86(15) . . ?
B6 B4 B5 60.50(17) . . ?
C14 B4 B3 58.30(16) . . ?
C15 B4 B3 107.6(2) . . ?
B6 B4 B3 60.05(17) . . ?
B5 B4 B3 108.6(2) . . ?
C14 B4 H4 122.8 . . ?
C15 B4 H4 122.5 . . ?
B6 B4 H4 122.8 . . ?
B5 B4 H4 121.9 . . ?
B3 B4 H4 121.6 . . ?
C15 B5 B4 60.03(16) . . ?
C15 B5 B9 59.06(16) . . ?
B4 B5 B9 108.0(2) . . ?
C15 B5 B10 106.8(2) . . ?
B4 B5 B10 107.7(2) . . ?
B9 B5 B10 60.34(18) . . ?
C15 B5 B6 107.0(2) . . ?
B4 B5 B6 59.65(17) . . ?
B9 B5 B6 108.2(2) . . ?
B10 B5 B6 59.99(17) . . ?
C15 B5 H5 122.8 . . ?
B4 B5 H5 121.7 . . ?
B9 B5 H5 121.6 . . ?
B10 B5 H5 122.0 . . ?
B6 B5 H5 121.9 . . ?
B4 B6 B3 60.32(17) . . ?
B4 B6 B7 107.9(2) . . ?
B3 B6 B7 60.00(18) . . ?
B4 B6 B10 107.8(2) . . ?
B3 B6 B10 108.3(2) . . ?
B7 B6 B10 60.10(18) . . ?
B4 B6 B5 59.85(17) . . ?
B3 B6 B5 108.3(2) . . ?
B7 B6 B5 107.9(2) . . ?
B10 B6 B5 59.84(17) . . ?
B4 B6 H6 121.8 . . ?
B3 B6 H6 121.3 . . ?
B7 B6 H6 121.8 . . ?
B10 B6 H6 121.7 . . ?
B5 B6 H6 121.8 . . ?
B3 B7 B6 59.88(17) . . ?
B3 B7 B8 107.6(2) . . ?
B6 B7 B8 107.6(2) . . ?
B3 B7 B2 60.05(17) . . ?
B6 B7 B2 107.8(2) . . ?
B8 B7 B2 59.60(18) . . ?
B3 B7 B10 108.1(2) . . ?
B6 B7 B10 59.95(17) . . ?
B8 B7 B10 60.13(18) . . ?
B2 B7 B10 108.0(2) . . ?
B3 B7 H7 121.8 . . ?
B6 B7 H7 122.0 . . ?
B8 B7 H7 122.1 . . ?
B2 B7 H7 121.8 . . ?
B10 B7 H7 121.5 . . ?
B2 B8 B9 109.0(2) . . ?
B2 B8 B1 60.50(18) . . ?
B9 B8 B1 60.00(18) . . ?
B2 B8 B7 60.22(18) . . ?
B9 B8 B7 108.5(2) . . ?
B1 B8 B7 108.3(2) . . ?
B2 B8 B10 108.4(2) . . ?
B9 B8 B10 60.17(18) . . ?
B1 B8 B10 107.9(2) . . ?
B7 B8 B10 59.99(18) . . ?
B2 B8 H8 121.1 . . ?
B9 B8 H8 121.3 . . ?
B1 B8 H8 121.7 . . ?
B7 B8 H8 121.5 . . ?
B10 B8 H8 121.8 . . ?
C15 B9 B5 58.27(16) . . ?
C15 B9 B8 106.5(2) . . ?
B5 B9 B8 107.8(2) . . ?
C15 B9 B1 59.52(16) . . ?
B5 B9 B1 107.1(2) . . ?
B8 B9 B1 60.05(18) . . ?
C15 B9 B10 105.8(2) . . ?
B5 B9 B10 59.94(17) . . ?
B8 B9 B10 60.21(18) . . ?
B1 B9 B10 108.0(2) . . ?
C15 B9 H9 123.6 . . ?
B5 B9 H9 122.3 . . ?
B8 B9 H9 121.8 . . ?
B1 B9 H9 121.7 . . ?
B10 B9 H9 122.0 . . ?
B5 B10 B6 60.18(17) . . ?
B5 B10 B7 108.0(2) . . ?
B6 B10 B7 59.95(18) . . ?
B5 B10 B9 59.72(17) . . ?
B6 B10 B9 107.9(2) . . ?
B7 B10 B9 108.0(2) . . ?
B5 B10 B8 107.1(2) . . ?
B6 B10 B8 107.4(2) . . ?
B7 B10 B8 59.87(18) . . ?
B9 B10 B8 59.62(18) . . ?
B5 B10 H10 121.9 . . ?
B6 B10 H10 121.8 . . ?
B7 B10 H10 121.6 . . ?
B9 B10 H10 121.8 . . ?
B8 B10 H10 122.4 . . ?
C10 C1 C2 119.6(2) . . ?
C10 C1 H1A 120.2 . . ?
C2 C1 H1A 120.2 . . ?
C3 C2 C1 119.4(2) . . ?
C3 C2 C14 120.1(2) . . ?
C1 C2 C14 120.4(2) . . ?
C4 C3 C2 121.1(2) . . ?
C4 C3 H3A 119.4 . . ?
C2 C3 H3A 119.4 . . ?
C11 C4 C3 119.1(2) . . ?
C11 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
C12 C5 C6 118.5(3) . . ?
C12 C5 H5A 120.8 . . ?
C6 C5 H5A 120.8 . . ?
C7 C6 C5 120.6(3) . . ?
C7 C6 H6A 119.7 . . ?
C5 C6 H6A 119.7 . . ?
C6 C7 C8 121.1(3) . . ?
C6 C7 H7A 119.4 . . ?
C8 C7 H7A 119.4 . . ?
C7 C8 C13 118.8(3) . . ?
C7 C8 H8A 120.6 . . ?
C13 C8 H8A 120.6 . . ?
C13 C9 C10 101.0(2) . . ?
C13 C9 C16 112.0(3) . . ?
C10 C9 C16 111.5(2) . . ?
C13 C9 C17 111.1(2) . . ?
C10 C9 C17 110.7(2) . . ?
C16 C9 C17 110.3(3) . . ?
C1 C10 C11 120.2(2) . . ?
C1 C10 C9 128.8(2) . . ?
C11 C10 C9 111.0(2) . . ?
C4 C11 C10 120.5(2) . . ?
C4 C11 C12 131.0(3) . . ?
C10 C11 C12 108.5(2) . . ?
C5 C12 C13 121.3(3) . . ?
C5 C12 C11 130.7(3) . . ?
C13 C12 C11 108.0(2) . . ?
C8 C13 C12 119.8(3) . . ?
C8 C13 C9 128.8(3) . . ?
C12 C13 C9 111.4(2) . . ?
C2 C14 B3 119.1(2) . . ?
C2 C14 B2 120.2(2) . . ?
B3 C14 B2 62.78(17) . . ?
C2 C14 B4 118.3(2) . . ?
B3 C14 B4 62.54(17) . . ?
B2 C14 B4 113.2(2) . . ?
C2 C14 B1 119.7(2) . . ?
B3 C14 B1 113.4(2) . . ?
B2 C14 B1 62.45(17) . . ?
B4 C14 B1 110.7(2) . . ?
C2 C14 C15 121.2(2) . . ?
B3 C14 C15 110.01(19) . . ?
B2 C14 C15 109.60(19) . . ?
B4 C14 C15 59.85(15) . . ?
B1 C14 C15 59.46(15) . . ?
B5 C15 B9 62.68(17) . . ?
B5 C15 B1 112.7(2) . . ?
B9 C15 B1 62.06(17) . . ?
B5 C15 B4 62.11(16) . . ?
B9 C15 B4 112.6(2) . . ?
B1 C15 B4 110.1(2) . . ?
B5 C15 C14 108.66(19) . . ?
B9 C15 C14 108.83(19) . . ?
B1 C15 C14 59.58(15) . . ?
B4 C15 C14 59.07(15) . . ?
B5 C15 Si1 118.56(18) . . ?
B9 C15 Si1 119.76(17) . . ?
B1 C15 Si1 120.61(17) . . ?
B4 C15 Si1 118.94(17) . . ?
C14 C15 Si1 123.10(16) . . ?
C9 C16 H16A 109.5 . . ?
C9 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C9 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C9 C17 H17A 109.5 . . ?
C9 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C9 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C18 Si1 C24 112.23(12) . . ?
C18 Si1 C30 108.09(12) . . ?
C24 Si1 C30 108.67(12) . . ?
C18 Si1 C15 109.97(11) . . ?
C24 Si1 C15 107.80(11) . . ?
C30 Si1 C15 110.06(11) . . ?
C23 C18 C19 117.7(3) . . ?
C23 C18 Si1 121.4(2) . . ?
C19 C18 Si1 120.9(2) . . ?
C20 C19 C18 121.2(3) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C21 C20 C19 119.5(3) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 120.4(3) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C18 120.9(3) . . ?
C22 C23 H23 119.5 . . ?
C18 C23 H23 119.5 . . ?
C29 C24 C25 116.4(2) . . ?
C29 C24 Si1 121.0(2) . . ?
C25 C24 Si1 122.7(2) . . ?
C26 C25 C24 122.1(3) . . ?
C26 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
C27 C26 C25 120.0(3) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 119.3(3) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C27 C28 C29 120.7(3) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C28 C29 C24 121.5(3) . . ?
C28 C29 H29 119.2 . . ?
C24 C29 H29 119.2 . . ?
C35 C30 C31 117.0(2) . . ?
C35 C30 Si1 118.9(2) . . ?
C31 C30 Si1 123.8(2) . . ?
C32 C31 C30 121.6(3) . . ?
C32 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
C33 C32 C31 119.9(3) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 119.9(3) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C33 C34 C35 120.2(3) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C34 C35 C30 121.3(3) . . ?
C34 C35 H35 119.3 . . ?
C30 C35 H35 119.3 . . ?
C15B B1B C14B 60.56(16) . . ?
C15B B1B B9B 58.82(17) . . ?
C14B B1B B9B 107.0(2) . . ?
C15B B1B B8B 106.1(2) . . ?
C14B B1B B8B 105.1(2) . . ?
B9B B1B B8B 60.08(18) . . ?
C15B B1B B2B 107.2(2) . . ?
C14B B1B B2B 57.99(17) . . ?
B9B B1B B2B 108.4(2) . . ?
B8B B1B B2B 59.97(18) . . ?
C15B B1B H1B 122.4 . . ?
C14B B1B H1B 123.2 . . ?
B9B B1B H1B 121.7 . . ?
B8B B1B H1B 123.0 . . ?
B2B B1B H1B 121.9 . . ?
C14B B2B B8B 106.0(2) . . ?
C14B B2B B3B 58.70(18) . . ?
B8B B2B B3B 107.7(2) . . ?
C14B B2B B1B 59.41(17) . . ?
B8B B2B B1B 59.62(18) . . ?
B3B B2B B1B 107.4(2) . . ?
C14B B2B B7B 105.6(2) . . ?
B8B B2B B7B 59.89(19) . . ?
B3B B2B B7B 59.90(19) . . ?
B1B B2B B7B 107.3(2) . . ?
C14B B2B H2B 123.6 . . ?
B8B B2B H2B 122.2 . . ?
B3B B2B H2B 121.9 . . ?
B1B B2B H2B 121.9 . . ?
B7B B2B H2B 122.4 . . ?
C14B B3B B6B 106.3(2) . . ?
C14B B3B B2B 58.51(17) . . ?
B6B B3B B2B 108.3(2) . . ?
C14B B3B B4B 59.28(16) . . ?
B6B B3B B4B 59.83(18) . . ?
B2B B3B B4B 107.3(2) . . ?
C14B B3B B7B 105.8(2) . . ?
B6B B3B B7B 60.2(2) . . ?
B2B B3B B7B 60.3(2) . . ?
B4B B3B B7B 107.6(2) . . ?
C14B B3B H3B 123.7 . . ?
B6B B3B H3B 121.8 . . ?
B2B B3B H3B 121.8 . . ?
B4B B3B H3B 122.0 . . ?
B7B B3B H3B 122.1 . . ?
C14B B4B C15B 60.50(15) . . ?
C14B B4B B6B 105.6(2) . . ?
C15B B4B B6B 106.3(2) . . ?
C14B B4B B5B 106.9(2) . . ?
C15B B4B B5B 58.47(16) . . ?
B6B B4B B5B 60.59(18) . . ?
C14B B4B B3B 58.34(17) . . ?
C15B B4B B3B 107.3(2) . . ?
B6B B4B B3B 59.86(18) . . ?
B5B B4B B3B 108.6(2) . . ?
C14B B4B H4B 123.0 . . ?
C15B B4B H4B 122.5 . . ?
B6B B4B H4B 122.7 . . ?
B5B B4B H4B 121.7 . . ?
B3B B4B H4B 121.8 . . ?
C15B B5B B9B 59.02(17) . . ?
C15B B5B B4B 59.50(16) . . ?
B9B B5B B4B 107.6(2) . . ?
C15B B5B B10B 106.4(2) . . ?
B9B B5B B10B 60.33(19) . . ?
B4B B5B B10B 107.4(2) . . ?
C15B B5B B6B 106.3(2) . . ?
B9B B5B B6B 108.0(2) . . ?
B4B B5B B6B 59.53(17) . . ?
B10B B5B B6B 59.85(19) . . ?
C15B B5B H5B 123.2 . . ?
B9B B5B H5B 121.7 . . ?
B4B B5B H5B 122.0 . . ?
B10B B5B H5B 122.1 . . ?
B6B B5B H5B 122.2 . . ?
B4B B6B B3B 60.31(18) . . ?
B4B B6B B7B 108.0(2) . . ?
B3B B6B B7B 60.18(19) . . ?
B4B B6B B10B 107.8(2) . . ?
B3B B6B B10B 108.1(2) . . ?
B7B B6B B10B 59.69(19) . . ?
B4B B6B B5B 59.88(17) . . ?
B3B B6B B5B 108.4(2) . . ?
B7B B6B B5B 107.7(2) . . ?
B10B B6B B5B 59.93(18) . . ?
B4B B6B H6B 121.8 . . ?
B3B B6B H6B 121.3 . . ?
B7B B6B H6B 121.9 . . ?
B10B B6B H6B 121.9 . . ?
B5B B6B H6B 121.8 . . ?
B10B B7B B8B 60.26(19) . . ?
B10B B7B B6B 60.23(19) . . ?
B8B B7B B6B 107.8(2) . . ?
B10B B7B B3B 108.2(2) . . ?
B8B B7B B3B 107.5(2) . . ?
B6B B7B B3B 59.66(19) . . ?
B10B B7B B2B 108.3(2) . . ?
B8B B7B B2B 59.80(19) . . ?
B6B B7B B2B 107.6(2) . . ?
B3B B7B B2B 59.81(19) . . ?
B10B B7B H7B 121.3 . . ?
B8B B7B H7B 121.9 . . ?
B6B B7B H7B 121.9 . . ?
B3B B7B H7B 122.0 . . ?
B2B B7B H7B 121.9 . . ?
B1B B8B B9B 59.91(18) . . ?
B1B B8B B2B 60.41(18) . . ?
B9B B8B B2B 108.6(2) . . ?
B1B B8B B7B 108.3(2) . . ?
B9B B8B B7B 108.2(2) . . ?
B2B B8B B7B 60.32(19) . . ?
B1B B8B B10B 108.0(2) . . ?
B9B B8B B10B 60.28(18) . . ?
B2B B8B B10B 108.3(2) . . ?
B7B B8B B10B 59.70(19) . . ?
B1B B8B H8B 121.6 . . ?
B9B B8B H8B 121.5 . . ?
B2B B8B H8B 121.2 . . ?
B7B B8B H8B 121.7 . . ?
B10B B8B H8B 121.8 . . ?
C15B B9B B5B 58.92(17) . . ?
C15B B9B B1B 59.28(17) . . ?
B5B B9B B1B 107.7(2) . . ?
C15B B9B B8B 106.4(2) . . ?
B5B B9B B8B 108.3(2) . . ?
B1B B9B B8B 60.01(18) . . ?
C15B B9B B10B 106.3(2) . . ?
B5B B9B B10B 60.26(18) . . ?
B1B B9B B10B 108.0(2) . . ?
B8B B9B B10B 60.15(18) . . ?
C15B B9B H9B 123.4 . . ?
B5B B9B H9B 121.7 . . ?
B1B B9B H9B 121.7 . . ?
B8B B9B H9B 121.8 . . ?
B10B B9B H9B 121.9 . . ?
B7B B10B B6B 60.1(2) . . ?
B7B B10B B8B 60.05(19) . . ?
B6B B10B B8B 107.5(2) . . ?
B7B B10B B5B 108.3(2) . . ?
B6B B10B B5B 60.22(18) . . ?
B8B B10B B5B 107.1(2) . . ?
B7B B10B B9B 107.9(2) . . ?
B6B B10B B9B 107.5(2) . . ?
B8B B10B B9B 59.56(18) . . ?
B5B B10B B9B 59.40(18) . . ?
B7B B10B H10B 121.4 . . ?
B6B B10B H10B 121.8 . . ?
B8B B10B H10B 122.3 . . ?
B5B B10B H10B 121.9 . . ?
B9B B10B H10B 122.2 . . ?
C10B C1B C2B 120.5(13) . . ?
C10B C1B H1BA 119.8 . . ?
C2B C1B H1BA 119.8 . . ?
C1B C2B C3B 116.7(15) . . ?
C1B C2B C14B 125.1(12) . . ?
C3B C2B C14B 118.1(12) . . ?
C4B C3B C2B 121.8(10) . . ?
C4B C3B H3BA 119.1 . . ?
C2B C3B H3BA 119.1 . . ?
C11B C4B C3B 119.3(12) . . ?
C11B C4B H4BA 120.3 . . ?
C3B C4B H4BA 120.3 . . ?
C6B C5B C12B 120.0 . . ?
C6B C5B H5BA 120.0 . . ?
C12B C5B H5BA 120.0 . . ?
C5B C6B C7B 120.0 . . ?
C5B C6B H6BA 120.0 . . ?
C7B C6B H6BA 120.0 . . ?
C8B C7B C6B 120.0 . . ?
C8B C7B H7BA 120.0 . . ?
C6B C7B H7BA 120.0 . . ?
C7B C8B C13B 120.0 . . ?
C7B C8B H8BA 120.0 . . ?
C13B C8B H8BA 120.0 . . ?
C12B C13B C8B 120.0 . . ?
C12B C13B C9B 111.9(6) . . ?
C8B C13B C9B 128.1(6) . . ?
C13B C12B C5B 120.0 . . ?
C13B C12B C11B 107.7(6) . . ?
C5B C12B C11B 132.3(6) . . ?
C13B C9B C16B 114.5(14) . . ?
C13B C9B C10B 101.5(9) . . ?
C16B C9B C10B 111.2(14) . . ?
C13B C9B C17B 110.1(16) . . ?
C16B C9B C17B 114.2(13) . . ?
C10B C9B C17B 104.0(15) . . ?
C1B C10B C11B 121.9(11) . . ?
C1B C10B C9B 128.7(11) . . ?
C11B C10B C9B 109.3(13) . . ?
C4B C11B C10B 119.5(13) . . ?
C4B C11B C12B 131.1(12) . . ?
C10B C11B C12B 109.4(9) . . ?
C9B C16B H16D 109.5 . . ?
C9B C16B H16E 109.5 . . ?
H16D C16B H16E 109.5 . . ?
C9B C16B H16F 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
C9B C17B H17D 109.5 . . ?
C9B C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
C9B C17B H17F 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?
C19B C18B C23B 120.0 . . ?
C19B C18B Si1B 119.2(5) . . ?
C23B C18B Si1B 120.6(5) . . ?
C18B C19B C20B 120.0 . . ?
C18B C19B H19B 120.0 . . ?
C20B C19B H19B 120.0 . . ?
C21B C20B C19B 120.0 . . ?
C21B C20B H20B 120.0 . . ?
C19B C20B H20B 120.0 . . ?
C20B C21B C22B 120.0 . . ?
C20B C21B H21B 120.0 . . ?
C22B C21B H21B 120.0 . . ?
C23B C22B C21B 120.0 . . ?
C23B C22B H22B 120.0 . . ?
C21B C22B H22B 120.0 . . ?
C22B C23B C18B 120.0 . . ?
C22B C23B H23B 120.0 . . ?
C18B C23B H23B 120.0 . . ?
C18B Si1B C24B 115.2(4) . . ?
C18B Si1B C30B 104.8(4) . . ?
C24B Si1B C30B 108.01(12) . . ?
C24B Si1B C18C 106.9(5) . . ?
C30B Si1B C18C 109.8(6) . . ?
C18B Si1B C15B 110.9(5) . . ?
C24B Si1B C15B 108.24(12) . . ?
C30B Si1B C15B 109.44(12) . . ?
C18C Si1B C15B 114.3(6) . . ?
C2B C14B B2B 123.5(8) . . ?
C2C C14B B2B 115.4(11) . . ?
C2B C14B B3B 117.3(7) . . ?
C2C C14B B3B 124.2(11) . . ?
B2B C14B B3B 62.79(19) . . ?
C2B C14B B4B 113.7(6) . . ?
C2C C14B B4B 125.7(9) . . ?
B2B C14B B4B 113.3(2) . . ?
B3B C14B B4B 62.38(18) . . ?
C2B C14B B1B 123.6(6) . . ?
C2C C14B B1B 112.1(9) . . ?
B2B C14B B1B 62.59(18) . . ?
B3B C14B B1B 113.2(2) . . ?
B4B C14B B1B 110.6(2) . . ?
C2B C14B C15B 119.6(9) . . ?
C2C C14B C15B 120.2(12) . . ?
B2B C14B C15B 110.1(2) . . ?
B3B C14B C15B 110.1(2) . . ?
B4B C14B C15B 59.96(15) . . ?
B1B C14B C15B 59.53(16) . . ?
B5B C15B B9B 62.06(18) . . ?
B5B C15B B1B 112.3(2) . . ?
B9B C15B B1B 61.89(18) . . ?
B5B C15B B4B 62.04(17) . . ?
B9B C15B B4B 112.1(2) . . ?
B1B C15B B4B 110.6(2) . . ?
B5B C15B C14B 108.96(19) . . ?
B9B C15B C14B 108.9(2) . . ?
B1B C15B C14B 59.91(16) . . ?
B4B C15B C14B 59.54(15) . . ?
B5B C15B Si1B 119.12(18) . . ?
B9B C15B Si1B 120.78(17) . . ?
B1B C15B Si1B 120.53(18) . . ?
B4B C15B Si1B 118.40(19) . . ?
C14B C15B Si1B 122.11(17) . . ?
C29B C24B C25B 116.8(3) . . ?
C29B C24B Si1B 123.2(2) . . ?
C25B C24B Si1B 120.1(2) . . ?
C26B C25B C24B 121.3(3) . . ?
C26B C25B H25B 119.4 . . ?
C24B C25B H25B 119.4 . . ?
C27B C26B C25B 120.8(3) . . ?
C27B C26B H26B 119.6 . . ?
C25B C26B H26B 119.6 . . ?
C26B C27B C28B 119.1(3) . . ?
C26B C27B H27B 120.5 . . ?
C28B C27B H27B 120.5 . . ?
C29B C28B C27B 120.2(3) . . ?
C29B C28B H28B 119.9 . . ?
C27B C28B H28B 119.9 . . ?
C28B C29B C24B 121.9(3) . . ?
C28B C29B H29B 119.1 . . ?
C24B C29B H29B 119.1 . . ?
C31B C30B C35B 116.8(2) . . ?
C31B C30B Si1B 124.6(2) . . ?
C35B C30B Si1B 118.3(2) . . ?
C32B C31B C30B 121.2(3) . . ?
C32B C31B H31B 119.4 . . ?
C30B C31B H31B 119.4 . . ?
C33B C32B C31B 120.7(3) . . ?
C33B C32B H32B 119.6 . . ?
C31B C32B H32B 119.6 . . ?
C32B C33B C34B 119.4(3) . . ?
C32B C33B H33B 120.3 . . ?
C34B C33B H33B 120.3 . . ?
C33B C34B C35B 120.2(3) . . ?
C33B C34B H34B 119.9 . . ?
C35B C34B H34B 119.9 . . ?
C34B C35B C30B 121.6(3) . . ?
C34B C35B H35B 119.2 . . ?
C30B C35B H35B 119.2 . . ?
C2C C1C C10C 117(2) . . ?
C2C C1C H1C 121.7 . . ?
C10C C1C H1C 121.7 . . ?
C3C C2C C1C 125(2) . . ?
C3C C2C C14B 124.9(19) . . ?
C1C C2C C14B 110.3(18) . . ?
C2C C3C C4C 119.1(17) . . ?
C2C C3C H3C 120.5 . . ?
C4C C3C H3C 120.5 . . ?
C3C C4C C11C 119.2(17) . . ?
C3C C4C H4C 120.4 . . ?
C11C C4C H4C 120.4 . . ?
C6C C5C C12C 120.0 . . ?
C6C C5C H5C 120.0 . . ?
C12C C5C H5C 120.0 . . ?
C5C C6C C7C 120.0 . . ?
C5C C6C H6C 120.0 . . ?
C7C C6C H6C 120.0 . . ?
C8C C7C C6C 120.0 . . ?
C8C C7C H7C 120.0 . . ?
C6C C7C H7C 120.0 . . ?
C7C C8C C13C 120.0 . . ?
C7C C8C H8C 120.0 . . ?
C13C C8C H8C 120.0 . . ?
C12C C13C C8C 120.0 . . ?
C12C C13C C9C 110.8(9) . . ?
C8C C13C C9C 129.2(9) . . ?
C13C C12C C5C 120.0 . . ?
C13C C12C C11C 109.6(8) . . ?
C5C C12C C11C 130.4(8) . . ?
C10C C9C C13C 99.0(14) . . ?
C10C C9C C15C 119(2) . . ?
C13C C9C C15C 111(2) . . ?
C10C C9C C14C 112(2) . . ?
C13C C9C C14C 108.8(18) . . ?
C15C C9C C14C 106.4(18) . . ?
C11C C10C C1C 118.6(16) . . ?
C11C C10C C9C 114(2) . . ?
C1C C10C C9C 127.6(17) . . ?
C10C C11C C4C 121.7(18) . . ?
C10C C11C C12C 106.6(14) . . ?
C4C C11C C12C 131.7(15) . . ?
C9C C14C H14A 109.5 . . ?
C9C C14C H14B 109.5 . . ?
H14A C14C H14B 109.5 . . ?
C9C C14C H14C 109.5 . . ?
H14A C14C H14C 109.5 . . ?
H14B C14C H14C 109.5 . . ?
C9C C15C H15A 109.5 . . ?
C9C C15C H15B 109.5 . . ?
H15A C15C H15B 109.5 . . ?
C9C C15C H15C 109.5 . . ?
H15A C15C H15C 109.5 . . ?
H15B C15C H15C 109.5 . . ?
C19C C18C C23C 120.0 . . ?
C19C C18C Si1B 123.0(7) . . ?
C23C C18C Si1B 116.9(7) . . ?
C18C C19C C20C 120.0 . . ?
C18C C19C H19C 120.0 . . ?
C20C C19C H19C 120.0 . . ?
C21C C20C C19C 120.0 . . ?
C21C C20C H20C 120.0 . . ?
C19C C20C H20C 120.0 . . ?
C22C C21C C20C 120.0 . . ?
C22C C21C H21C 120.0 . . ?
C20C C21C H21C 120.0 . . ?
C21C C22C C23C 120.0 . . ?
C21C C22C H22C 120.0 . . ?
C23C C22C H22C 120.0 . . ?
C22C C23C C18C 120.0 . . ?
C22C C23C H23C 120.0 . . ?
C18C C23C H23C 120.0 . . ?

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
C15 B1 B2 C14 37.53(18) . . . . ?
B9 B1 B2 C14 99.2(2) . . . . ?
B8 B1 B2 C14 135.7(2) . . . . ?
C15 B1 B2 B8 -98.1(2) . . . . ?
C14 B1 B2 B8 -135.7(2) . . . . ?
B9 B1 B2 B8 -36.5(2) . . . . ?
C15 B1 B2 B3 2.9(3) . . . . ?
C14 B1 B2 B3 -34.67(19) . . . . ?
B9 B1 B2 B3 64.5(3) . . . . ?
B8 B1 B2 B3 101.0(2) . . . . ?
C15 B1 B2 B7 -60.3(3) . . . . ?
C14 B1 B2 B7 -97.8(2) . . . . ?
B9 B1 B2 B7 1.4(3) . . . . ?
B8 B1 B2 B7 37.9(2) . . . . ?
B8 B2 B3 C14 98.3(2) . . . . ?
B7 B2 B3 C14 135.9(2) . . . . ?
B1 B2 B3 C14 35.04(19) . . . . ?
C14 B2 B3 B6 -98.2(2) . . . . ?
B8 B2 B3 B6 0.1(3) . . . . ?
B7 B2 B3 B6 37.7(2) . . . . ?
B1 B2 B3 B6 -63.1(3) . . . . ?
C14 B2 B3 B7 -135.9(2) . . . . ?
B8 B2 B3 B7 -37.6(2) . . . . ?
B1 B2 B3 B7 -100.9(2) . . . . ?
C14 B2 B3 B4 -35.28(19) . . . . ?
B8 B2 B3 B4 63.0(3) . . . . ?
B7 B2 B3 B4 100.6(2) . . . . ?
B1 B2 B3 B4 -0.2(3) . . . . ?
B6 B3 B4 C14 136.2(2) . . . . ?
B7 B3 B4 C14 98.4(2) . . . . ?
B2 B3 B4 C14 35.10(19) . . . . ?
C14 B3 B4 C15 -37.57(18) . . . . ?
B6 B3 B4 C15 98.6(2) . . . . ?
B7 B3 B4 C15 60.8(3) . . . . ?
B2 B3 B4 C15 -2.5(3) . . . . ?
C14 B3 B4 B6 -136.2(2) . . . . ?
B7 B3 B4 B6 -37.8(2) . . . . ?
B2 B3 B4 B6 -101.1(2) . . . . ?
C14 B3 B4 B5 -98.8(2) . . . . ?
B6 B3 B4 B5 37.4(2) . . . . ?
B7 B3 B4 B5 -0.4(3) . . . . ?
B2 B3 B4 B5 -63.7(3) . . . . ?
C14 B4 B5 C15 38.03(19) . . . . ?
B6 B4 B5 C15 136.8(2) . . . . ?
B3 B4 B5 C15 99.5(2) . . . . ?
C14 B4 B5 B9 2.3(3) . . . . ?
C15 B4 B5 B9 -35.75(19) . . . . ?
B6 B4 B5 B9 101.0(2) . . . . ?
B3 B4 B5 B9 63.8(3) . . . . ?
C14 B4 B5 B10 -61.5(3) . . . . ?
C15 B4 B5 B10 -99.5(2) . . . . ?
B6 B4 B5 B10 37.3(2) . . . . ?
B3 B4 B5 B10 0.0(3) . . . . ?
C14 B4 B5 B6 -98.7(2) . . . . ?
C15 B4 B5 B6 -136.8(2) . . . . ?
B3 B4 B5 B6 -37.2(2) . . . . ?
C14 B4 B6 B3 -37.71(19) . . . . ?
C15 B4 B6 B3 -101.5(2) . . . . ?
B5 B4 B6 B3 -138.6(2) . . . . ?
C14 B4 B6 B7 0.2(3) . . . . ?
C15 B4 B6 B7 -63.6(3) . . . . ?
B5 B4 B6 B7 -100.7(2) . . . . ?
B3 B4 B6 B7 37.9(2) . . . . ?
C14 B4 B6 B10 63.7(3) . . . . ?
C15 B4 B6 B10 -0.1(3) . . . . ?
B5 B4 B6 B10 -37.2(2) . . . . ?
B3 B4 B6 B10 101.4(2) . . . . ?
C14 B4 B6 B5 100.9(2) . . . . ?
C15 B4 B6 B5 37.11(19) . . . . ?
B3 B4 B6 B5 138.6(2) . . . . ?
C14 B3 B6 B4 38.19(19) . . . . ?
B7 B3 B6 B4 137.6(2) . . . . ?
B2 B3 B6 B4 99.9(2) . . . . ?
C14 B3 B6 B7 -99.4(2) . . . . ?
B4 B3 B6 B7 -137.6(2) . . . . ?
B2 B3 B6 B7 -37.7(2) . . . . ?
C14 B3 B6 B10 -62.3(3) . . . . ?
B7 B3 B6 B10 37.1(2) . . . . ?
B4 B3 B6 B10 -100.5(2) . . . . ?
B2 B3 B6 B10 -0.6(3) . . . . ?
C14 B3 B6 B5 1.1(3) . . . . ?
B7 B3 B6 B5 100.5(2) . . . . ?
B4 B3 B6 B5 -37.1(2) . . . . ?
B2 B3 B6 B5 62.8(3) . . . . ?
C15 B5 B6 B4 -38.36(19) . . . . ?
B9 B5 B6 B4 -100.6(2) . . . . ?
B10 B5 B6 B4 -138.2(2) . . . . ?
C15 B5 B6 B3 -1.1(3) . . . . ?
B4 B5 B6 B3 37.3(2) . . . . ?
B9 B5 B6 B3 -63.3(3) . . . . ?
B10 B5 B6 B3 -101.0(2) . . . . ?
C15 B5 B6 B7 62.4(3) . . . . ?
B4 B5 B6 B7 100.8(2) . . . . ?
B9 B5 B6 B7 0.1(3) . . . . ?
B10 B5 B6 B7 -37.5(2) . . . . ?
C15 B5 B6 B10 99.9(2) . . . . ?
B4 B5 B6 B10 138.2(2) . . . . ?
B9 B5 B6 B10 37.6(2) . . . . ?
C14 B3 B7 B6 99.6(2) . . . . ?
B4 B3 B7 B6 37.6(2) . . . . ?
B2 B3 B7 B6 137.8(2) . . . . ?
C14 B3 B7 B8 -0.9(3) . . . . ?
B6 B3 B7 B8 -100.5(2) . . . . ?
B4 B3 B7 B8 -62.9(3) . . . . ?
B2 B3 B7 B8 37.3(2) . . . . ?
C14 B3 B7 B2 -38.2(2) . . . . ?
B6 B3 B7 B2 -137.8(2) . . . . ?
B4 B3 B7 B2 -100.2(2) . . . . ?
C14 B3 B7 B10 62.6(3) . . . . ?
B6 B3 B7 B10 -37.0(2) . . . . ?
B4 B3 B7 B10 0.6(3) . . . . ?
B2 B3 B7 B10 100.8(2) . . . . ?
B4 B6 B7 B3 -38.0(2) . . . . ?
B10 B6 B7 B3 -138.6(2) . . . . ?
B5 B6 B7 B3 -101.3(2) . . . . ?
B4 B6 B7 B8 62.5(3) . . . . ?
B3 B6 B7 B8 100.5(2) . . . . ?
B10 B6 B7 B8 -38.1(2) . . . . ?
B5 B6 B7 B8 -0.7(3) . . . . ?
B4 B6 B7 B2 -0.4(3) . . . . ?
B3 B6 B7 B2 37.7(2) . . . . ?
B10 B6 B7 B2 -101.0(2) . . . . ?
B5 B6 B7 B2 -63.6(3) . . . . ?
B4 B6 B7 B10 100.6(2) . . . . ?
B3 B6 B7 B10 138.6(2) . . . . ?
B5 B6 B7 B10 37.4(2) . . . . ?
C14 B2 B7 B3 38.00(19) . . . . ?
B8 B2 B7 B3 138.0(2) . . . . ?
B1 B2 B7 B3 100.2(2) . . . . ?
C14 B2 B7 B6 0.4(3) . . . . ?
B8 B2 B7 B6 100.4(2) . . . . ?
B3 B2 B7 B6 -37.6(2) . . . . ?
B1 B2 B7 B6 62.6(3) . . . . ?
C14 B2 B7 B8 -100.0(2) . . . . ?
B3 B2 B7 B8 -138.0(2) . . . . ?
B1 B2 B7 B8 -37.7(2) . . . . ?
C14 B2 B7 B10 -62.9(3) . . . . ?
B8 B2 B7 B10 37.0(2) . . . . ?
B3 B2 B7 B10 -100.9(2) . . . . ?
B1 B2 B7 B10 -0.7(3) . . . . ?
C14 B2 B8 B9 -2.0(3) . . . . ?
B3 B2 B8 B9 -63.5(3) . . . . ?
B7 B2 B8 B9 -101.0(2) . . . . ?
B1 B2 B8 B9 36.7(2) . . . . ?
C14 B2 B8 B1 -38.74(19) . . . . ?
B3 B2 B8 B1 -100.2(2) . . . . ?
B7 B2 B8 B1 -137.7(2) . . . . ?
C14 B2 B8 B7 98.9(2) . . . . ?
B3 B2 B8 B7 37.5(2) . . . . ?
B1 B2 B8 B7 137.7(2) . . . . ?
C14 B2 B8 B10 61.9(3) . . . . ?
B3 B2 B8 B10 0.4(3) . . . . ?
B7 B2 B8 B10 -37.1(2) . . . . ?
B1 B2 B8 B10 100.6(2) . . . . ?
C15 B1 B8 B2 101.3(2) . . . . ?
C14 B1 B8 B2 37.90(19) . . . . ?
B9 B1 B8 B2 139.3(2) . . . . ?
C15 B1 B8 B9 -37.92(19) . . . . ?
C14 B1 B8 B9 -101.4(2) . . . . ?
B2 B1 B8 B9 -139.3(2) . . . . ?
C15 B1 B8 B7 63.3(3) . . . . ?
C14 B1 B8 B7 -0.1(3) . . . . ?
B9 B1 B8 B7 101.3(2) . . . . ?
B2 B1 B8 B7 -38.0(2) . . . . ?
C15 B1 B8 B10 -0.1(3) . . . . ?
C14 B1 B8 B10 -63.6(3) . . . . ?
B9 B1 B8 B10 37.8(2) . . . . ?
B2 B1 B8 B10 -101.5(2) . . . . ?
B3 B7 B8 B2 -37.5(2) . . . . ?
B6 B7 B8 B2 -100.7(2) . . . . ?
B10 B7 B8 B2 -138.7(2) . . . . ?
B3 B7 B8 B9 64.2(3) . . . . ?
B6 B7 B8 B9 1.1(3) . . . . ?
B2 B7 B8 B9 101.7(2) . . . . ?
B10 B7 B8 B9 -37.0(2) . . . . ?
B3 B7 B8 B1 0.6(3) . . . . ?
B6 B7 B8 B1 -62.5(3) . . . . ?
B2 B7 B8 B1 38.1(2) . . . . ?
B10 B7 B8 B1 -100.6(2) . . . . ?
B3 B7 B8 B10 101.2(2) . . . . ?
B6 B7 B8 B10 38.0(2) . . . . ?
B2 B7 B8 B10 138.7(2) . . . . ?
B4 B5 B9 C15 36.2(2) . . . . ?
B10 B5 B9 C15 136.7(2) . . . . ?
B6 B5 B9 C15 99.3(2) . . . . ?
C15 B5 B9 B8 -98.7(2) . . . . ?
B4 B5 B9 B8 -62.6(3) . . . . ?
B10 B5 B9 B8 38.0(2) . . . . ?
B6 B5 B9 B8 0.5(3) . . . . ?
C15 B5 B9 B1 -35.5(2) . . . . ?
B4 B5 B9 B1 0.7(3) . . . . ?
B10 B5 B9 B1 101.3(2) . . . . ?
B6 B5 B9 B1 63.8(3) . . . . ?
C15 B5 B9 B10 -136.7(2) . . . . ?
B4 B5 B9 B10 -100.6(2) . . . . ?
B6 B5 B9 B10 -37.5(2) . . . . ?
B2 B8 B9 C15 1.7(3) . . . . ?
B1 B8 B9 C15 38.66(19) . . . . ?
B7 B8 B9 C15 -62.2(3) . . . . ?
B10 B8 B9 C15 -99.1(2) . . . . ?
B2 B8 B9 B5 63.0(3) . . . . ?
B1 B8 B9 B5 99.9(2) . . . . ?
B7 B8 B9 B5 -1.0(3) . . . . ?
B10 B8 B9 B5 -37.9(2) . . . . ?
B2 B8 B9 B1 -36.9(2) . . . . ?
B7 B8 B9 B1 -100.9(2) . . . . ?
B10 B8 B9 B1 -137.8(2) . . . . ?
B2 B8 B9 B10 100.9(2) . . . . ?
B1 B8 B9 B10 137.8(2) . . . . ?
B7 B8 B9 B10 36.9(2) . . . . ?
C14 B1 B9 C15 -38.31(19) . . . . ?
B8 B1 B9 C15 -136.0(2) . . . . ?
B2 B1 B9 C15 -99.6(2) . . . . ?
C15 B1 B9 B5 34.95(19) . . . . ?
C14 B1 B9 B5 -3.4(3) . . . . ?
B8 B1 B9 B5 -101.0(2) . . . . ?
B2 B1 B9 B5 -64.7(3) . . . . ?
C15 B1 B9 B8 136.0(2) . . . . ?
C14 B1 B9 B8 97.7(2) . . . . ?
B2 B1 B9 B8 36.3(2) . . . . ?
C15 B1 B9 B10 98.1(2) . . . . ?
C14 B1 B9 B10 59.8(3) . . . . ?
B8 B1 B9 B10 -37.8(2) . . . . ?
B2 B1 B9 B10 -1.5(3) . . . . ?
C15 B5 B10 B6 -100.3(2) . . . . ?
B4 B5 B10 B6 -37.1(2) . . . . ?
B9 B5 B10 B6 -138.2(2) . . . . ?
C15 B5 B10 B7 -62.8(3) . . . . ?
B4 B5 B10 B7 0.3(3) . . . . ?
B9 B5 B10 B7 -100.7(2) . . . . ?
B6 B5 B10 B7 37.5(2) . . . . ?
C15 B5 B10 B9 37.87(19) . . . . ?
B4 B5 B10 B9 101.0(2) . . . . ?
B6 B5 B10 B9 138.2(2) . . . . ?
C15 B5 B10 B8 0.3(3) . . . . ?
B4 B5 B10 B8 63.5(3) . . . . ?
B9 B5 B10 B8 -37.6(2) . . . . ?
B6 B5 B10 B8 100.6(2) . . . . ?
B4 B6 B10 B5 37.2(2) . . . . ?
B3 B6 B10 B5 101.0(2) . . . . ?
B7 B6 B10 B5 138.1(2) . . . . ?
B4 B6 B10 B7 -100.9(2) . . . . ?
B3 B6 B10 B7 -37.1(2) . . . . ?
B5 B6 B10 B7 -138.1(2) . . . . ?
B4 B6 B10 B9 0.0(3) . . . . ?
B3 B6 B10 B9 63.7(3) . . . . ?
B7 B6 B10 B9 100.8(2) . . . . ?
B5 B6 B10 B9 -37.3(2) . . . . ?
B4 B6 B10 B8 -62.9(3) . . . . ?
B3 B6 B10 B8 0.9(3) . . . . ?
B7 B6 B10 B8 37.9(2) . . . . ?
B5 B6 B10 B8 -100.1(2) . . . . ?
B3 B7 B10 B5 -0.6(3) . . . . ?
B6 B7 B10 B5 -37.6(2) . . . . ?
B8 B7 B10 B5 99.7(2) . . . . ?
B2 B7 B10 B5 62.9(3) . . . . ?
B3 B7 B10 B6 37.0(2) . . . . ?
B8 B7 B10 B6 137.3(2) . . . . ?
B2 B7 B10 B6 100.5(2) . . . . ?
B3 B7 B10 B9 -63.7(3) . . . . ?
B6 B7 B10 B9 -100.7(2) . . . . ?
B8 B7 B10 B9 36.6(2) . . . . ?
B2 B7 B10 B9 -0.2(3) . . . . ?
B3 B7 B10 B8 -100.3(2) . . . . ?
B6 B7 B10 B8 -137.3(2) . . . . ?
B2 B7 B10 B8 -36.8(2) . . . . ?
C15 B9 B10 B5 -37.3(2) . . . . ?
B8 B9 B10 B5 -137.5(2) . . . . ?
B1 B9 B10 B5 -99.8(2) . . . . ?
C15 B9 B10 B6 0.2(3) . . . . ?
B5 B9 B10 B6 37.5(2) . . . . ?
B8 B9 B10 B6 -100.1(2) . . . . ?
B1 B9 B10 B6 -62.3(3) . . . . ?
C15 B9 B10 B7 63.5(3) . . . . ?
B5 B9 B10 B7 100.8(2) . . . . ?
B8 B9 B10 B7 -36.7(2) . . . . ?
B1 B9 B10 B7 1.1(3) . . . . ?
C15 B9 B10 B8 100.2(2) . . . . ?
B5 B9 B10 B8 137.5(2) . . . . ?
B1 B9 B10 B8 37.8(2) . . . . ?
B2 B8 B10 B5 -64.1(3) . . . . ?
B9 B8 B10 B5 37.6(2) . . . . ?
B1 B8 B10 B5 -0.1(3) . . . . ?
B7 B8 B10 B5 -101.3(2) . . . . ?
B2 B8 B10 B6 -0.8(3) . . . . ?
B9 B8 B10 B6 100.9(2) . . . . ?
B1 B8 B10 B6 63.2(3) . . . . ?
B7 B8 B10 B6 -38.0(2) . . . . ?
B2 B8 B10 B7 37.2(2) . . . . ?
B9 B8 B10 B7 138.9(2) . . . . ?
B1 B8 B10 B7 101.2(2) . . . . ?
B2 B8 B10 B9 -101.7(2) . . . . ?
B1 B8 B10 B9 -37.7(2) . . . . ?
B7 B8 B10 B9 -138.9(2) . . . . ?
C10 C1 C2 C3 -3.6(4) . . . . ?
C10 C1 C2 C14 180.0(2) . . . . ?
C1 C2 C3 C4 2.0(4) . . . . ?
C14 C2 C3 C4 178.5(2) . . . . ?
C2 C3 C4 C11 0.6(4) . . . . ?
C12 C5 C6 C7 -0.1(5) . . . . ?
C5 C6 C7 C8 -0.8(5) . . . . ?
C6 C7 C8 C13 0.2(5) . . . . ?
C2 C1 C10 C11 2.6(4) . . . . ?
C2 C1 C10 C9 -176.1(2) . . . . ?
C13 C9 C10 C1 177.1(3) . . . . ?
C16 C9 C10 C1 58.0(4) . . . . ?
C17 C9 C10 C1 -65.2(4) . . . . ?
C13 C9 C10 C11 -1.7(3) . . . . ?
C16 C9 C10 C11 -120.8(3) . . . . ?
C17 C9 C10 C11 116.0(3) . . . . ?
C3 C4 C11 C10 -1.6(4) . . . . ?
C3 C4 C11 C12 176.5(3) . . . . ?
C1 C10 C11 C4 0.1(4) . . . . ?
C9 C10 C11 C4 179.0(2) . . . . ?
C1 C10 C11 C12 -178.5(2) . . . . ?
C9 C10 C11 C12 0.5(3) . . . . ?
C6 C5 C12 C13 1.8(4) . . . . ?
C6 C5 C12 C11 -177.8(3) . . . . ?
C4 C11 C12 C5 2.4(5) . . . . ?
C10 C11 C12 C5 -179.3(3) . . . . ?
C4 C11 C12 C13 -177.2(3) . . . . ?
C10 C11 C12 C13 1.1(3) . . . . ?
C7 C8 C13 C12 1.4(4) . . . . ?
C7 C8 C13 C9 -179.2(3) . . . . ?
C5 C12 C13 C8 -2.4(4) . . . . ?
C11 C12 C13 C8 177.2(2) . . . . ?
C5 C12 C13 C9 178.1(3) . . . . ?
C11 C12 C13 C9 -2.3(3) . . . . ?
C10 C9 C13 C8 -177.0(3) . . . . ?
C16 C9 C13 C8 -58.3(4) . . . . ?
C17 C9 C13 C8 65.6(4) . . . . ?
C10 C9 C13 C12 2.4(3) . . . . ?
C16 C9 C13 C12 121.2(3) . . . . ?
C17 C9 C13 C12 -115.0(3) . . . . ?
C3 C2 C14 B3 -124.9(3) . . . . ?
C1 C2 C14 B3 51.5(3) . . . . ?
C3 C2 C14 B2 -51.2(3) . . . . ?
C1 C2 C14 B2 125.2(3) . . . . ?
C3 C2 C14 B4 162.6(2) . . . . ?
C1 C2 C14 B4 -21.0(3) . . . . ?
C3 C2 C14 B1 22.3(4) . . . . ?
C1 C2 C14 B1 -161.3(2) . . . . ?
C3 C2 C14 C15 92.5(3) . . . . ?
C1 C2 C14 C15 -91.1(3) . . . . ?
B6 B3 C14 C2 -147.2(2) . . . . ?
B7 B3 C14 C2 150.0(2) . . . . ?
B4 B3 C14 C2 -108.8(2) . . . . ?
B2 B3 C14 C2 111.2(3) . . . . ?
B6 B3 C14 B2 101.6(2) . . . . ?
B7 B3 C14 B2 38.8(2) . . . . ?
B4 B3 C14 B2 140.0(2) . . . . ?
B6 B3 C14 B4 -38.41(19) . . . . ?
B7 B3 C14 B4 -101.2(2) . . . . ?
B2 B3 C14 B4 -140.0(2) . . . . ?
B6 B3 C14 B1 63.7(3) . . . . ?
B7 B3 C14 B1 0.9(3) . . . . ?
B4 B3 C14 B1 102.1(2) . . . . ?
B2 B3 C14 B1 -37.9(2) . . . . ?
B6 B3 C14 C15 -0.8(3) . . . . ?
B7 B3 C14 C15 -63.5(2) . . . . ?
B4 B3 C14 C15 37.66(19) . . . . ?
B2 B3 C14 C15 -102.4(2) . . . . ?
B8 B2 C14 C2 149.1(2) . . . . ?
B3 B2 C14 C2 -109.4(2) . . . . ?
B7 B2 C14 C2 -148.1(2) . . . . ?
B1 B2 C14 C2 110.1(2) . . . . ?
B8 B2 C14 B3 -101.5(2) . . . . ?
B7 B2 C14 B3 -38.7(2) . . . . ?
B1 B2 C14 B3 -140.5(2) . . . . ?
B8 B2 C14 B4 -63.1(3) . . . . ?
B3 B2 C14 B4 38.3(2) . . . . ?
B7 B2 C14 B4 -0.3(3) . . . . ?
B1 B2 C14 B4 -102.1(2) . . . . ?
B8 B2 C14 B1 39.0(2) . . . . ?
B3 B2 C14 B1 140.5(2) . . . . ?
B7 B2 C14 B1 101.8(2) . . . . ?
B8 B2 C14 C15 1.6(3) . . . . ?
B3 B2 C14 C15 103.0(2) . . . . ?
B7 B2 C14 C15 64.4(2) . . . . ?
B1 B2 C14 C15 -37.43(19) . . . . ?
C15 B4 C14 C2 -111.6(2) . . . . ?
B6 B4 C14 C2 148.6(2) . . . . ?
B5 B4 C14 C2 -148.1(2) . . . . ?
B3 B4 C14 C2 110.0(2) . . . . ?
C15 B4 C14 B3 138.4(2) . . . . ?
B6 B4 C14 B3 38.53(19) . . . . ?
B5 B4 C14 B3 101.8(2) . . . . ?
C15 B4 C14 B2 100.0(2) . . . . ?
B6 B4 C14 B2 0.1(3) . . . . ?
B5 B4 C14 B2 63.4(3) . . . . ?
B3 B4 C14 B2 -38.4(2) . . . . ?
C15 B4 C14 B1 32.1(2) . . . . ?
B6 B4 C14 B1 -67.8(2) . . . . ?
B5 B4 C14 B1 -4.5(3) . . . . ?
B3 B4 C14 B1 -106.3(2) . . . . ?
B6 B4 C14 C15 -99.9(2) . . . . ?
B5 B4 C14 C15 -36.58(18) . . . . ?
B3 B4 C14 C15 -138.4(2) . . . . ?
C15 B1 C14 C2 110.8(2) . . . . ?
B9 B1 C14 C2 148.0(2) . . . . ?
B8 B1 C14 C2 -149.4(2) . . . . ?
B2 B1 C14 C2 -110.9(3) . . . . ?
C15 B1 C14 B3 -100.3(2) . . . . ?
B9 B1 C14 B3 -63.1(3) . . . . ?
B8 B1 C14 B3 -0.5(3) . . . . ?
B2 B1 C14 B3 38.1(2) . . . . ?
C15 B1 C14 B2 -138.3(2) . . . . ?
B9 B1 C14 B2 -101.2(2) . . . . ?
B8 B1 C14 B2 -38.6(2) . . . . ?
C15 B1 C14 B4 -32.2(2) . . . . ?
B9 B1 C14 B4 5.0(3) . . . . ?
B8 B1 C14 B4 67.6(3) . . . . ?
B2 B1 C14 B4 106.1(2) . . . . ?
B9 B1 C14 C15 37.16(19) . . . . ?
B8 B1 C14 C15 99.8(2) . . . . ?
B2 B1 C14 C15 138.3(2) . . . . ?
B4 B5 C15 B9 -139.6(2) . . . . ?
B10 B5 C15 B9 -38.5(2) . . . . ?
B6 B5 C15 B9 -101.4(2) . . . . ?
B4 B5 C15 B1 -101.6(2) . . . . ?
B9 B5 C15 B1 38.0(2) . . . . ?
B10 B5 C15 B1 -0.4(3) . . . . ?
B6 B5 C15 B1 -63.4(3) . . . . ?
B9 B5 C15 B4 139.6(2) . . . . ?
B10 B5 C15 B4 101.2(2) . . . . ?
B6 B5 C15 B4 38.2(2) . . . . ?
B4 B5 C15 C14 -37.57(19) . . . . ?
B9 B5 C15 C14 102.1(2) . . . . ?
B10 B5 C15 C14 63.6(2) . . . . ?
B6 B5 C15 C14 0.6(3) . . . . ?
B4 B5 C15 Si1 109.6(2) . . . . ?
B9 B5 C15 Si1 -110.8(2) . . . . ?
B10 B5 C15 Si1 -149.25(18) . . . . ?
B6 B5 C15 Si1 147.77(18) . . . . ?
B8 B9 C15 B5 101.0(2) . . . . ?
B1 B9 C15 B5 139.9(2) . . . . ?
B10 B9 C15 B5 38.1(2) . . . . ?
B5 B9 C15 B1 -139.9(2) . . . . ?
B8 B9 C15 B1 -38.9(2) . . . . ?
B10 B9 C15 B1 -101.9(2) . . . . ?
B5 B9 C15 B4 -38.3(2) . . . . ?
B8 B9 C15 B4 62.7(3) . . . . ?
B1 B9 C15 B4 101.6(2) . . . . ?
B10 B9 C15 B4 -0.2(3) . . . . ?
B5 B9 C15 C14 -101.8(2) . . . . ?
B8 B9 C15 C14 -0.8(3) . . . . ?
B1 B9 C15 C14 38.14(19) . . . . ?
B10 B9 C15 C14 -63.7(2) . . . . ?
B5 B9 C15 Si1 108.9(2) . . . . ?
B8 B9 C15 Si1 -150.05(18) . . . . ?
B1 B9 C15 Si1 -111.1(2) . . . . ?
B10 B9 C15 Si1 146.99(18) . . . . ?
C14 B1 C15 B5 99.0(2) . . . . ?
B9 B1 C15 B5 -38.3(2) . . . . ?
B8 B1 C15 B5 0.3(3) . . . . ?
B2 B1 C15 B5 62.7(3) . . . . ?
C14 B1 C15 B9 137.3(2) . . . . ?
B8 B1 C15 B9 38.6(2) . . . . ?
B2 B1 C15 B9 101.0(2) . . . . ?
C14 B1 C15 B4 31.78(19) . . . . ?
B9 B1 C15 B4 -105.5(2) . . . . ?
B8 B1 C15 B4 -66.9(2) . . . . ?
B2 B1 C15 B4 -4.5(3) . . . . ?
B9 B1 C15 C14 -137.3(2) . . . . ?
B8 B1 C15 C14 -98.7(2) . . . . ?
B2 B1 C15 C14 -36.29(18) . . . . ?
C14 B1 C15 Si1 -112.9(2) . . . . ?
B9 B1 C15 Si1 109.8(2) . . . . ?
B8 B1 C15 Si1 148.47(18) . . . . ?
B2 B1 C15 Si1 -149.15(18) . . . . ?
C14 B4 C15 B5 -137.7(2) . . . . ?
B6 B4 C15 B5 -38.3(2) . . . . ?
B3 B4 C15 B5 -101.3(2) . . . . ?
C14 B4 C15 B9 -99.1(2) . . . . ?
B6 B4 C15 B9 0.2(3) . . . . ?
B5 B4 C15 B9 38.5(2) . . . . ?
B3 B4 C15 B9 -62.8(3) . . . . ?
C14 B4 C15 B1 -31.97(19) . . . . ?
B6 B4 C15 B1 67.4(2) . . . . ?
B5 B4 C15 B1 105.7(2) . . . . ?
B3 B4 C15 B1 4.4(3) . . . . ?
B6 B4 C15 C14 99.3(2) . . . . ?
B5 B4 C15 C14 137.7(2) . . . . ?
B3 B4 C15 C14 36.35(18) . . . . ?
C14 B4 C15 Si1 113.34(19) . . . . ?
B6 B4 C15 Si1 -147.32(18) . . . . ?
B5 B4 C15 Si1 -109.0(2) . . . . ?
B3 B4 C15 Si1 149.69(18) . . . . ?
C2 C14 C15 B5 145.7(2) . . . . ?
B3 C14 C15 B5 0.1(3) . . . . ?
B2 C14 C15 B5 -67.1(2) . . . . ?
B4 C14 C15 B5 38.9(2) . . . . ?
B1 C14 C15 B5 -105.9(2) . . . . ?
C2 C14 C15 B9 -147.7(2) . . . . ?
B3 C14 C15 B9 66.7(2) . . . . ?
B2 C14 C15 B9 -0.5(3) . . . . ?
B4 C14 C15 B9 105.5(2) . . . . ?
B1 C14 C15 B9 -39.2(2) . . . . ?
C2 C14 C15 B1 -108.4(2) . . . . ?
B3 C14 C15 B1 106.0(2) . . . . ?
B2 C14 C15 B1 38.7(2) . . . . ?
B4 C14 C15 B1 144.8(2) . . . . ?
C2 C14 C15 B4 106.8(2) . . . . ?
B3 C14 C15 B4 -38.8(2) . . . . ?
B2 C14 C15 B4 -106.1(2) . . . . ?
B1 C14 C15 B4 -144.8(2) . . . . ?
C2 C14 C15 Si1 0.4(3) . . . . ?
B3 C14 C15 Si1 -145.25(18) . . . . ?
B2 C14 C15 Si1 147.52(18) . . . . ?
B4 C14 C15 Si1 -106.4(2) . . . . ?
B1 C14 C15 Si1 108.8(2) . . . . ?
C24 Si1 C18 C23 -5.7(3) . . . . ?
C30 Si1 C18 C23 -125.5(2) . . . . ?
C15 Si1 C18 C23 114.3(2) . . . . ?
C24 Si1 C18 C19 172.4(2) . . . . ?
C30 Si1 C18 C19 52.6(2) . . . . ?
C15 Si1 C18 C19 -67.6(2) . . . . ?
C23 C18 C19 C20 -1.6(4) . . . . ?
Si1 C18 C19 C20 -179.8(2) . . . . ?
C18 C19 C20 C21 0.9(4) . . . . ?
C19 C20 C21 C22 0.6(5) . . . . ?
C20 C21 C22 C23 -1.4(5) . . . . ?
C21 C22 C23 C18 0.6(5) . . . . ?
C19 C18 C23 C22 0.9(4) . . . . ?
Si1 C18 C23 C22 179.0(2) . . . . ?
C18 Si1 C24 C29 -124.7(2) . . . . ?
C30 Si1 C24 C29 -5.2(3) . . . . ?
C15 Si1 C24 C29 114.1(2) . . . . ?
C18 Si1 C24 C25 55.1(3) . . . . ?
C30 Si1 C24 C25 174.6(2) . . . . ?
C15 Si1 C24 C25 -66.1(2) . . . . ?
C29 C24 C25 C26 -1.5(4) . . . . ?
Si1 C24 C25 C26 178.7(2) . . . . ?
C24 C25 C26 C27 1.0(5) . . . . ?
C25 C26 C27 C28 0.2(5) . . . . ?
C26 C27 C28 C29 -0.9(5) . . . . ?
C27 C28 C29 C24 0.3(5) . . . . ?
C25 C24 C29 C28 0.8(4) . . . . ?
Si1 C24 C29 C28 -179.3(2) . . . . ?
C18 Si1 C30 C35 17.9(3) . . . . ?
C24 Si1 C30 C35 -104.1(2) . . . . ?
C15 Si1 C30 C35 138.1(2) . . . . ?
C18 Si1 C30 C31 -168.6(2) . . . . ?
C24 Si1 C30 C31 69.4(3) . . . . ?
C15 Si1 C30 C31 -48.5(3) . . . . ?
C35 C30 C31 C32 -0.7(4) . . . . ?
Si1 C30 C31 C32 -174.3(2) . . . . ?
C30 C31 C32 C33 0.8(5) . . . . ?
C31 C32 C33 C34 -0.8(4) . . . . ?
C32 C33 C34 C35 0.9(4) . . . . ?
C33 C34 C35 C30 -0.9(4) . . . . ?
C31 C30 C35 C34 0.8(4) . . . . ?
Si1 C30 C35 C34 174.7(2) . . . . ?
C15B B1B B2B C14B 36.8(2) . . . . ?
B9B B1B B2B C14B 98.9(2) . . . . ?
B8B B1B B2B C14B 135.8(2) . . . . ?
C15B B1B B2B B8B -99.0(2) . . . . ?
C14B B1B B2B B8B -135.8(2) . . . . ?
B9B B1B B2B B8B -36.9(2) . . . . ?
C15B B1B B2B B3B 1.7(3) . . . . ?
C14B B1B B2B B3B -35.1(2) . . . . ?
B9B B1B B2B B3B 63.8(3) . . . . ?
B8B B1B B2B B3B 100.7(3) . . . . ?
C15B B1B B2B B7B -61.4(3) . . . . ?
C14B B1B B2B B7B -98.2(3) . . . . ?
B9B B1B B2B B7B 0.7(3) . . . . ?
B8B B1B B2B B7B 37.6(2) . . . . ?
B8B B2B B3B C14B 98.3(2) . . . . ?
B1B B2B B3B C14B 35.4(2) . . . . ?
B7B B2B B3B C14B 135.8(2) . . . . ?
C14B B2B B3B B6B -98.2(2) . . . . ?
B8B B2B B3B B6B 0.1(3) . . . . ?
B1B B2B B3B B6B -62.8(3) . . . . ?
B7B B2B B3B B6B 37.6(2) . . . . ?
C14B B2B B3B B4B -35.0(2) . . . . ?
B8B B2B B3B B4B 63.3(3) . . . . ?
B1B B2B B3B B4B 0.4(3) . . . . ?
B7B B2B B3B B4B 100.7(2) . . . . ?
C14B B2B B3B B7B -135.8(2) . . . . ?
B8B B2B B3B B7B -37.5(2) . . . . ?
B1B B2B B3B B7B -100.3(2) . . . . ?
B6B B3B B4B C14B 136.2(2) . . . . ?
B2B B3B B4B C14B 34.7(2) . . . . ?
B7B B3B B4B C14B 98.2(2) . . . . ?
C14B B3B B4B C15B -37.0(2) . . . . ?
B6B B3B B4B C15B 99.2(2) . . . . ?
B2B B3B B4B C15B -2.3(3) . . . . ?
B7B B3B B4B C15B 61.2(3) . . . . ?
C14B B3B B4B B6B -136.2(2) . . . . ?
B2B B3B B4B B6B -101.5(3) . . . . ?
B7B B3B B4B B6B -38.0(2) . . . . ?
C14B B3B B4B B5B -98.8(2) . . . . ?
B6B B3B B4B B5B 37.4(2) . . . . ?
B2B B3B B4B B5B -64.1(3) . . . . ?
B7B B3B B4B B5B -0.6(3) . . . . ?
C14B B4B B5B C15B 37.80(19) . . . . ?
B6B B4B B5B C15B 136.5(2) . . . . ?
B3B B4B B5B C15B 99.3(2) . . . . ?
C14B B4B B5B B9B 2.2(3) . . . . ?
C15B B4B B5B B9B -35.6(2) . . . . ?
B6B B4B B5B B9B 100.9(3) . . . . ?
B3B B4B B5B B9B 63.8(3) . . . . ?
C14B B4B B5B B10B -61.4(3) . . . . ?
C15B B4B B5B B10B -99.1(2) . . . . ?
B6B B4B B5B B10B 37.3(2) . . . . ?
B3B B4B B5B B10B 0.2(3) . . . . ?
C14B B4B B5B B6B -98.7(2) . . . . ?
C15B B4B B5B B6B -136.5(2) . . . . ?
B3B B4B B5B B6B -37.1(2) . . . . ?
C14B B4B B6B B3B -37.7(2) . . . . ?
C15B B4B B6B B3B -100.9(2) . . . . ?
B5B B4B B6B B3B -138.6(2) . . . . ?
C14B B4B B6B B7B 0.4(3) . . . . ?
C15B B4B B6B B7B -62.7(3) . . . . ?
B5B B4B B6B B7B -100.5(2) . . . . ?
B3B B4B B6B B7B 38.1(2) . . . . ?
C14B B4B B6B B10B 63.5(3) . . . . ?
C15B B4B B6B B10B 0.3(3) . . . . ?
B5B B4B B6B B10B -37.4(2) . . . . ?
B3B B4B B6B B10B 101.2(3) . . . . ?
C14B B4B B6B B5B 100.9(2) . . . . ?
C15B B4B B6B B5B 37.7(2) . . . . ?
B3B B4B B6B B5B 138.6(2) . . . . ?
C14B B3B B6B B4B 38.3(2) . . . . ?
B2B B3B B6B B4B 99.8(2) . . . . ?
B7B B3B B6B B4B 137.4(2) . . . . ?
C14B B3B B6B B7B -99.2(2) . . . . ?
B2B B3B B6B B7B -37.6(2) . . . . ?
B4B B3B B6B B7B -137.4(2) . . . . ?
C14B B3B B6B B10B -62.3(3) . . . . ?
B2B B3B B6B B10B -0.7(3) . . . . ?
B4B B3B B6B B10B -100.5(2) . . . . ?
B7B B3B B6B B10B 36.9(2) . . . . ?
C14B B3B B6B B5B 1.2(3) . . . . ?
B2B B3B B6B B5B 62.7(3) . . . . ?
B4B B3B B6B B5B -37.1(2) . . . . ?
B7B B3B B6B B5B 100.3(3) . . . . ?
C15B B5B B6B B4B -38.2(2) . . . . ?
B9B B5B B6B B4B -100.2(2) . . . . ?
B10B B5B B6B B4B -138.0(2) . . . . ?
C15B B5B B6B B3B -0.9(3) . . . . ?
B9B B5B B6B B3B -63.0(3) . . . . ?
B4B B5B B6B B3B 37.3(2) . . . . ?
B10B B5B B6B B3B -100.8(3) . . . . ?
C15B B5B B6B B7B 62.7(3) . . . . ?
B9B B5B B6B B7B 0.7(3) . . . . ?
B4B B5B B6B B7B 100.9(2) . . . . ?
B10B B5B B6B B7B -37.1(2) . . . . ?
C15B B5B B6B B10B 99.8(2) . . . . ?
B9B B5B B6B B10B 37.8(2) . . . . ?
B4B B5B B6B B10B 138.0(2) . . . . ?
B4B B6B B7B B10B 100.5(2) . . . . ?
B3B B6B B7B B10B 138.7(2) . . . . ?
B5B B6B B7B B10B 37.2(2) . . . . ?
B4B B6B B7B B8B 62.1(3) . . . . ?
B3B B6B B7B B8B 100.3(2) . . . . ?
B10B B6B B7B B8B -38.4(2) . . . . ?
B5B B6B B7B B8B -1.1(3) . . . . ?
B4B B6B B7B B3B -38.2(2) . . . . ?
B10B B6B B7B B3B -138.7(2) . . . . ?
B5B B6B B7B B3B -101.4(2) . . . . ?
B4B B6B B7B B2B -1.0(3) . . . . ?
B3B B6B B7B B2B 37.2(2) . . . . ?
B10B B6B B7B B2B -101.4(2) . . . . ?
B5B B6B B7B B2B -64.2(3) . . . . ?
C14B B3B B7B B10B 62.9(3) . . . . ?
B6B B3B B7B B10B -37.1(2) . . . . ?
B2B B3B B7B B10B 101.1(3) . . . . ?
B4B B3B B7B B10B 0.7(3) . . . . ?
C14B B3B B7B B8B -0.8(3) . . . . ?
B6B B3B B7B B8B -100.8(2) . . . . ?
B2B B3B B7B B8B 37.4(2) . . . . ?
B4B B3B B7B B8B -62.9(3) . . . . ?
C14B B3B B7B B6B 100.0(2) . . . . ?
B2B B3B B7B B6B 138.2(2) . . . . ?
B4B B3B B7B B6B 37.9(2) . . . . ?
C14B B3B B7B B2B -38.2(2) . . . . ?
B6B B3B B7B B2B -138.2(2) . . . . ?
B4B B3B B7B B2B -100.3(2) . . . . ?
C14B B2B B7B B10B -62.6(3) . . . . ?
B8B B2B B7B B10B 37.1(2) . . . . ?
B3B B2B B7B B10B -100.8(3) . . . . ?
B1B B2B B7B B10B -0.3(3) . . . . ?
C14B B2B B7B B8B -99.7(2) . . . . ?
B3B B2B B7B B8B -137.9(2) . . . . ?
B1B B2B B7B B8B -37.5(2) . . . . ?
C14B B2B B7B B6B 1.1(3) . . . . ?
B8B B2B B7B B6B 100.8(2) . . . . ?
B3B B2B B7B B6B -37.1(2) . . . . ?
B1B B2B B7B B6B 63.3(3) . . . . ?
C14B B2B B7B B3B 38.2(2) . . . . ?
B8B B2B B7B B3B 137.9(2) . . . . ?
B1B B2B B7B B3B 100.4(3) . . . . ?
C15B B1B B8B B9B -38.0(2) . . . . ?
C14B B1B B8B B9B -101.2(2) . . . . ?
B2B B1B B8B B9B -138.9(2) . . . . ?
C15B B1B B8B B2B 100.9(2) . . . . ?
C14B B1B B8B B2B 37.8(2) . . . . ?
B9B B1B B8B B2B 138.9(2) . . . . ?
C15B B1B B8B B7B 62.9(3) . . . . ?
C14B B1B B8B B7B -0.3(3) . . . . ?
B9B B1B B8B B7B 100.9(3) . . . . ?
B2B B1B B8B B7B -38.0(2) . . . . ?
C15B B1B B8B B10B -0.3(3) . . . . ?
C14B B1B B8B B10B -63.5(3) . . . . ?
B9B B1B B8B B10B 37.7(2) . . . . ?
B2B B1B B8B B10B -101.2(3) . . . . ?
C14B B2B B8B B1B -38.6(2) . . . . ?
B3B B2B B8B B1B -100.2(2) . . . . ?
B7B B2B B8B B1B -137.7(3) . . . . ?
C14B B2B B8B B9B -1.7(3) . . . . ?
B3B B2B B8B B9B -63.3(3) . . . . ?
B1B B2B B8B B9B 36.9(2) . . . . ?
B7B B2B B8B B9B -100.8(3) . . . . ?
C14B B2B B8B B7B 99.1(3) . . . . ?
B3B B2B B8B B7B 37.5(2) . . . . ?
B1B B2B B8B B7B 137.7(3) . . . . ?
C14B B2B B8B B10B 62.2(3) . . . . ?
B3B B2B B8B B10B 0.6(3) . . . . ?
B1B B2B B8B B10B 100.8(3) . . . . ?
B7B B2B B8B B10B -36.9(2) . . . . ?
B10B B7B B8B B1B -100.6(3) . . . . ?
B6B B7B B8B B1B -62.3(3) . . . . ?
B3B B7B B8B B1B 0.7(3) . . . . ?
B2B B7B B8B B1B 38.1(2) . . . . ?
B10B B7B B8B B9B -37.2(2) . . . . ?
B6B B7B B8B B9B 1.2(3) . . . . ?
B3B B7B B8B B9B 64.1(3) . . . . ?
B2B B7B B8B B9B 101.5(3) . . . . ?
B10B B7B B8B B2B -138.7(3) . . . . ?
B6B B7B B8B B2B -100.4(3) . . . . ?
B3B B7B B8B B2B -37.4(2) . . . . ?
B6B B7B B8B B10B 38.3(2) . . . . ?
B3B B7B B8B B10B 101.3(3) . . . . ?
B2B B7B B8B B10B 138.7(3) . . . . ?
B4B B5B B9B C15B 35.8(2) . . . . ?
B10B B5B B9B C15B 136.2(2) . . . . ?
B6B B5B B9B C15B 98.6(2) . . . . ?
C15B B5B B9B B1B -35.1(2) . . . . ?
B4B B5B B9B B1B 0.6(3) . . . . ?
B10B B5B B9B B1B 101.1(2) . . . . ?
B6B B5B B9B B1B 63.5(3) . . . . ?
C15B B5B B9B B8B -98.5(2) . . . . ?
B4B B5B B9B B8B -62.8(3) . . . . ?
B10B B5B B9B B8B 37.6(2) . . . . ?
B6B B5B B9B B8B 0.1(3) . . . . ?
C15B B5B B9B B10B -136.2(2) . . . . ?
B4B B5B B9B B10B -100.4(2) . . . . ?
B6B B5B B9B B10B -37.6(2) . . . . ?
C14B B1B B9B C15B -38.23(19) . . . . ?
B8B B1B B9B C15B -136.3(2) . . . . ?
B2B B1B B9B C15B -99.4(2) . . . . ?
C15B B1B B9B B5B 35.0(2) . . . . ?
C14B B1B B9B B5B -3.3(3) . . . . ?
B8B B1B B9B B5B -101.3(2) . . . . ?
B2B B1B B9B B5B -64.4(3) . . . . ?
C15B B1B B9B B8B 136.3(2) . . . . ?
C14B B1B B9B B8B 98.0(2) . . . . ?
B2B B1B B9B B8B 36.9(2) . . . . ?
C15B B1B B9B B10B 98.6(2) . . . . ?
C14B B1B B9B B10B 60.4(3) . . . . ?
B8B B1B B9B B10B -37.6(2) . . . . ?
B2B B1B B9B B10B -0.8(3) . . . . ?
B1B B8B B9B C15B 38.3(2) . . . . ?
B2B B8B B9B C15B 1.2(3) . . . . ?
B7B B8B B9B C15B -62.7(3) . . . . ?
B10B B8B B9B C15B -99.7(2) . . . . ?
B1B B8B B9B B5B 100.3(2) . . . . ?
B2B B8B B9B B5B 63.2(3) . . . . ?
B7B B8B B9B B5B -0.7(3) . . . . ?
B10B B8B B9B B5B -37.7(2) . . . . ?
B2B B8B B9B B1B -37.1(2) . . . . ?
B7B B8B B9B B1B -101.0(3) . . . . ?
B10B B8B B9B B1B -138.0(2) . . . . ?
B1B B8B B9B B10B 138.0(2) . . . . ?
B2B B8B B9B B10B 100.9(3) . . . . ?
B7B B8B B9B B10B 36.9(2) . . . . ?
B8B B7B B10B B6B 137.1(2) . . . . ?
B3B B7B B10B B6B 36.9(2) . . . . ?
B2B B7B B10B B6B 100.2(3) . . . . ?
B6B B7B B10B B8B -137.1(2) . . . . ?
B3B B7B B10B B8B -100.3(3) . . . . ?
B2B B7B B10B B8B -36.9(2) . . . . ?
B8B B7B B10B B5B 99.6(3) . . . . ?
B6B B7B B10B B5B -37.5(2) . . . . ?
B3B B7B B10B B5B -0.6(3) . . . . ?
B2B B7B B10B B5B 62.7(3) . . . . ?
B8B B7B B10B B9B 36.8(2) . . . . ?
B6B B7B B10B B9B -100.3(3) . . . . ?
B3B B7B B10B B9B -63.5(3) . . . . ?
B2B B7B B10B B9B -0.1(3) . . . . ?
B4B B6B B10B B7B -100.8(3) . . . . ?
B3B B6B B10B B7B -37.1(2) . . . . ?
B5B B6B B10B B7B -138.2(2) . . . . ?
B4B B6B B10B B8B -62.7(3) . . . . ?
B3B B6B B10B B8B 1.1(3) . . . . ?
B7B B6B B10B B8B 38.2(2) . . . . ?
B5B B6B B10B B8B -100.1(2) . . . . ?
B4B B6B B10B B5B 37.4(2) . . . . ?
B3B B6B B10B B5B 101.1(2) . . . . ?
B7B B6B B10B B5B 138.2(2) . . . . ?
B4B B6B B10B B9B 0.1(3) . . . . ?
B3B B6B B10B B9B 63.9(3) . . . . ?
B7B B6B B10B B9B 101.0(3) . . . . ?
B5B B6B B10B B9B -37.3(2) . . . . ?
B1B B8B B10B B7B 101.1(3) . . . . ?
B9B B8B B10B B7B 138.6(3) . . . . ?
B2B B8B B10B B7B 37.1(2) . . . . ?
B1B B8B B10B B6B 62.9(3) . . . . ?
B9B B8B B10B B6B 100.4(2) . . . . ?
B2B B8B B10B B6B -1.1(3) . . . . ?
B7B B8B B10B B6B -38.2(2) . . . . ?
B1B B8B B10B B5B -0.5(3) . . . . ?
B9B B8B B10B B5B 37.0(2) . . . . ?
B2B B8B B10B B5B -64.4(3) . . . . ?
B7B B8B B10B B5B -101.6(3) . . . . ?
B1B B8B B10B B9B -37.5(2) . . . . ?
B2B B8B B10B B9B -101.5(3) . . . . ?
B7B B8B B10B B9B -138.6(3) . . . . ?
C15B B5B B10B B7B -62.2(3) . . . . ?
B9B B5B B10B B7B -100.4(3) . . . . ?
B4B B5B B10B B7B 0.3(3) . . . . ?
B6B B5B B10B B7B 37.4(2) . . . . ?
C15B B5B B10B B6B -99.6(2) . . . . ?
B9B B5B B10B B6B -137.9(2) . . . . ?
B4B B5B B10B B6B -37.2(2) . . . . ?
C15B B5B B10B B8B 1.1(3) . . . . ?
B9B B5B B10B B8B -37.1(2) . . . . ?
B4B B5B B10B B8B 63.6(3) . . . . ?
B6B B5B B10B B8B 100.8(2) . . . . ?
C15B B5B B10B B9B 38.23(19) . . . . ?
B4B B5B B10B B9B 100.7(2) . . . . ?
B6B B5B B10B B9B 137.9(2) . . . . ?
C15B B9B B10B B7B 62.9(3) . . . . ?
B5B B9B B10B B7B 101.0(3) . . . . ?
B1B B9B B10B B7B 0.6(3) . . . . ?
B8B B9B B10B B7B -37.0(2) . . . . ?
C15B B9B B10B B6B -0.5(3) . . . . ?
B5B B9B B10B B6B 37.6(2) . . . . ?
B1B B9B B10B B6B -62.8(3) . . . . ?
B8B B9B B10B B6B -100.4(3) . . . . ?
C15B B9B B10B B8B 99.9(2) . . . . ?
B5B B9B B10B B8B 138.0(2) . . . . ?
B1B B9B B10B B8B 37.6(2) . . . . ?
C15B B9B B10B B5B -38.2(2) . . . . ?
B1B B9B B10B B5B -100.5(2) . . . . ?
B8B B9B B10B B5B -138.0(2) . . . . ?
C10B C1B C2B C3B -5(3) . . . . ?
C10B C1B C2B C14B 179.6(17) . . . . ?
C1B C2B C3B C4B 5(2) . . . . ?
C14B C2B C3B C4B -179.2(15) . . . . ?
C2B C3B C4B C11B -1(2) . . . . ?
C12B C5B C6B C7B 0.0 . . . . ?
C5B C6B C7B C8B 0.0 . . . . ?
C6B C7B C8B C13B 0.0 . . . . ?
C7B C8B C13B C12B 0.0 . . . . ?
C7B C8B C13B C9B -179.4(12) . . . . ?
C8B C13B C12B C5B 0.0 . . . . ?
C9B C13B C12B C5B 179.5(10) . . . . ?
C8B C13B C12B C11B -179.7(9) . . . . ?
C9B C13B C12B C11B -0.2(12) . . . . ?
C6B C5B C12B C13B 0.0 . . . . ?
C6B C5B C12B C11B 179.6(11) . . . . ?
C12B C13B C9B C16B 122.8(10) . . . . ?
C8B C13B C9B C16B -57.8(17) . . . . ?
C12B C13B C9B C10B 2.8(14) . . . . ?
C8B C13B C9B C10B -177.8(9) . . . . ?
C12B C13B C9B C17B -106.9(13) . . . . ?
C8B C13B C9B C17B 72.5(16) . . . . ?
C2B C1B C10B C11B 0(3) . . . . ?
C2B C1B C10B C9B 179.8(18) . . . . ?
C13B C9B C10B C1B 176.0(17) . . . . ?
C16B C9B C10B C1B 54(2) . . . . ?
C17B C9B C10B C1B -70(2) . . . . ?
C13B C9B C10B C11B -4.5(17) . . . . ?
C16B C9B C10B C11B -126.7(15) . . . . ?
C17B C9B C10B C11B 109.9(17) . . . . ?
C3B C4B C11B C10B -4(2) . . . . ?
C3B C4B C11B C12B 176.0(14) . . . . ?
C1B C10B C11B C4B 4(2) . . . . ?
C9B C10B C11B C4B -175.2(14) . . . . ?
C1B C10B C11B C12B -175.8(15) . . . . ?
C9B C10B C11B C12B 4.7(17) . . . . ?
C13B C12B C11B C4B 177.0(14) . . . . ?
C5B C12B C11B C4B -3(2) . . . . ?
C13B C12B C11B C10B -2.8(13) . . . . ?
C5B C12B C11B C10B 177.5(10) . . . . ?
C23B C18B C19B C20B 0.0 . . . . ?
Si1B C18B C19B C20B 175.2(10) . . . . ?
C18B C19B C20B C21B 0.0 . . . . ?
C19B C20B C21B C22B 0.0 . . . . ?
C20B C21B C22B C23B 0.0 . . . . ?
C21B C22B C23B C18B 0.0 . . . . ?
C19B C18B C23B C22B 0.0 . . . . ?
Si1B C18B C23B C22B -175.2(10) . . . . ?
C19B C18B Si1B C24B -4.7(8) . . . . ?
C23B C18B Si1B C24B 170.5(5) . . . . ?
C19B C18B Si1B C30B -123.2(6) . . . . ?
C23B C18B Si1B C30B 52.0(7) . . . . ?
C19B C18B Si1B C15B 118.7(6) . . . . ?
C23B C18B Si1B C15B -66.1(7) . . . . ?
C1B C2B C14B B2B 115.1(16) . . . . ?
C3B C2B C14B B2B -60.2(18) . . . . ?
C1B C2B C14B B3B 41(2) . . . . ?
C3B C2B C14B B3B -134.3(13) . . . . ?
C1B C2B C14B B4B -29(2) . . . . ?
C3B C2B C14B B4B 155.8(13) . . . . ?
C1B C2B C14B B1B -167.7(14) . . . . ?
C3B C2B C14B B1B 17(2) . . . . ?
C1B C2B C14B C15B -96.6(18) . . . . ?
C3B C2B C14B C15B 88.1(16) . . . . ?
B8B B2B C14B C2B 152.5(8) . . . . ?
B3B B2B C14B C2B -106.2(8) . . . . ?
B1B B2B C14B C2B 113.8(8) . . . . ?
B7B B2B C14B C2B -145.0(8) . . . . ?
B8B B2B C14B C2C 141.6(11) . . . . ?
B3B B2B C14B C2C -117.1(11) . . . . ?
B1B B2B C14B C2C 102.9(11) . . . . ?
B7B B2B C14B C2C -155.9(11) . . . . ?
B8B B2B C14B B3B -101.3(2) . . . . ?
B1B B2B C14B B3B -140.0(2) . . . . ?
B7B B2B C14B B3B -38.8(2) . . . . ?
B8B B2B C14B B4B -63.4(3) . . . . ?
B3B B2B C14B B4B 37.9(2) . . . . ?
B1B B2B C14B B4B -102.1(2) . . . . ?
B7B B2B C14B B4B -0.9(3) . . . . ?
B8B B2B C14B B1B 38.7(2) . . . . ?
B3B B2B C14B B1B 140.0(2) . . . . ?
B7B B2B C14B B1B 101.2(2) . . . . ?
B8B B2B C14B C15B 1.6(3) . . . . ?
B3B B2B C14B C15B 102.9(2) . . . . ?
B1B B2B C14B C15B -37.1(2) . . . . ?
B7B B2B C14B C15B 64.1(3) . . . . ?
B6B B3B C14B C2B -142.4(8) . . . . ?
B2B B3B C14B C2B 115.7(8) . . . . ?
B4B B3B C14B C2B -103.9(8) . . . . ?
B7B B3B C14B C2B 154.7(8) . . . . ?
B6B B3B C14B C2C -154.6(12) . . . . ?
B2B B3B C14B C2C 103.5(12) . . . . ?
B4B B3B C14B C2C -116.1(12) . . . . ?
B7B B3B C14B C2C 142.5(12) . . . . ?
B6B B3B C14B B2B 101.9(3) . . . . ?
B4B B3B C14B B2B 140.4(2) . . . . ?
B7B B3B C14B B2B 39.0(2) . . . . ?
B6B B3B C14B B4B -38.5(2) . . . . ?
B2B B3B C14B B4B -140.4(2) . . . . ?
B7B B3B C14B B4B -101.4(2) . . . . ?
B6B B3B C14B B1B 63.5(3) . . . . ?
B2B B3B C14B B1B -38.4(2) . . . . ?
B4B B3B C14B B1B 102.0(2) . . . . ?
B7B B3B C14B B1B 0.6(3) . . . . ?
B6B B3B C14B C15B -1.0(3) . . . . ?
B2B B3B C14B C15B -102.9(2) . . . . ?
B4B B3B C14B C15B 37.5(2) . . . . ?
B7B B3B C14B C15B -63.9(3) . . . . ?
C15B B4B C14B C2B -111.7(9) . . . . ?
B6B B4B C14B C2B 148.0(9) . . . . ?
B5B B4B C14B C2B -148.6(9) . . . . ?
B3B B4B C14B C2B 109.7(9) . . . . ?
C15B B4B C14B C2C -107.5(15) . . . . ?
B6B B4B C14B C2C 152.3(15) . . . . ?
B5B B4B C14B C2C -144.3(15) . . . . ?
B3B B4B C14B C2C 113.9(15) . . . . ?
C15B B4B C14B B2B 100.5(2) . . . . ?
B6B B4B C14B B2B 0.3(3) . . . . ?
B5B B4B C14B B2B 63.7(3) . . . . ?
B3B B4B C14B B2B -38.1(2) . . . . ?
C15B B4B C14B B3B 138.6(2) . . . . ?
B6B B4B C14B B3B 38.4(2) . . . . ?
B5B B4B C14B B3B 101.8(2) . . . . ?
C15B B4B C14B B1B 32.5(2) . . . . ?
B6B B4B C14B B1B -67.8(3) . . . . ?
B5B B4B C14B B1B -4.4(3) . . . . ?
B3B B4B C14B B1B -106.2(2) . . . . ?
B6B B4B C14B C15B -100.3(2) . . . . ?
B5B B4B C14B C15B -36.88(19) . . . . ?
B3B B4B C14B C15B -138.6(2) . . . . ?
C15B B1B C14B C2B 107.3(10) . . . . ?
B9B B1B C14B C2B 144.8(10) . . . . ?
B8B B1B C14B C2B -152.4(10) . . . . ?
B2B B1B C14B C2B -113.8(10) . . . . ?
C15B B1B C14B C2C 113.0(13) . . . . ?
B9B B1B C14B C2C 150.5(13) . . . . ?
B8B B1B C14B C2C -146.8(13) . . . . ?
B2B B1B C14B C2C -108.1(13) . . . . ?
C15B B1B C14B B2B -138.9(2) . . . . ?
B9B B1B C14B B2B -101.5(2) . . . . ?
B8B B1B C14B B2B -38.7(2) . . . . ?
C15B B1B C14B B3B -100.4(2) . . . . ?
B9B B1B C14B B3B -63.0(3) . . . . ?
B8B B1B C14B B3B -0.2(3) . . . . ?
B2B B1B C14B B3B 38.5(2) . . . . ?
C15B B1B C14B B4B -32.6(2) . . . . ?
B9B B1B C14B B4B 4.8(3) . . . . ?
B8B B1B C14B B4B 67.6(3) . . . . ?
B2B B1B C14B B4B 106.3(2) . . . . ?
B9B B1B C14B C15B 37.45(19) . . . . ?
B8B B1B C14B C15B 100.2(2) . . . . ?
B2B B1B C14B C15B 138.9(2) . . . . ?
B4B B5B C15B B9B -139.7(2) . . . . ?
B10B B5B C15B B9B -38.8(2) . . . . ?
B6B B5B C15B B9B -101.5(2) . . . . ?
B9B B5B C15B B1B 37.4(2) . . . . ?
B4B B5B C15B B1B -102.3(2) . . . . ?
B10B B5B C15B B1B -1.4(3) . . . . ?
B6B B5B C15B B1B -64.1(3) . . . . ?
B9B B5B C15B B4B 139.7(2) . . . . ?
B10B B5B C15B B4B 100.9(2) . . . . ?
B6B B5B C15B B4B 38.2(2) . . . . ?
B9B B5B C15B C14B 101.8(2) . . . . ?
B4B B5B C15B C14B -37.9(2) . . . . ?
B10B B5B C15B C14B 63.0(3) . . . . ?
B6B B5B C15B C14B 0.3(3) . . . . ?
B9B B5B C15B Si1B -111.6(2) . . . . ?
B4B B5B C15B Si1B 108.7(2) . . . . ?
B10B B5B C15B Si1B -150.42(18) . . . . ?
B6B B5B C15B Si1B 146.9(2) . . . . ?
B1B B9B C15B B5B 140.4(2) . . . . ?
B8B B9B C15B B5B 101.8(2) . . . . ?
B10B B9B C15B B5B 38.8(2) . . . . ?
B5B B9B C15B B1B -140.4(2) . . . . ?
B8B B9B C15B B1B -38.6(2) . . . . ?
B10B B9B C15B B1B -101.6(2) . . . . ?
B5B B9B C15B B4B -38.0(2) . . . . ?
B1B B9B C15B B4B 102.4(2) . . . . ?
B8B B9B C15B B4B 63.7(3) . . . . ?
B10B B9B C15B B4B 0.8(3) . . . . ?
B5B B9B C15B C14B -102.0(2) . . . . ?
B1B B9B C15B C14B 38.43(19) . . . . ?
B8B B9B C15B C14B -0.2(3) . . . . ?
B10B B9B C15B C14B -63.2(3) . . . . ?
B5B B9B C15B Si1B 109.0(2) . . . . ?
B1B B9B C15B Si1B -110.6(2) . . . . ?
B8B B9B C15B Si1B -149.26(19) . . . . ?
B10B B9B C15B Si1B 147.77(19) . . . . ?
C14B B1B C15B B5B 99.7(2) . . . . ?
B9B B1B C15B B5B -37.5(2) . . . . ?
B8B B1B C15B B5B 1.1(3) . . . . ?
B2B B1B C15B B5B 64.0(3) . . . . ?
C14B B1B C15B B9B 137.2(2) . . . . ?
B8B B1B C15B B9B 38.6(2) . . . . ?
B2B B1B C15B B9B 101.5(2) . . . . ?
C14B B1B C15B B4B 32.5(2) . . . . ?
B9B B1B C15B B4B -104.7(2) . . . . ?
B8B B1B C15B B4B -66.1(3) . . . . ?
B2B B1B C15B B4B -3.2(3) . . . . ?
B9B B1B C15B C14B -137.2(2) . . . . ?
B8B B1B C15B C14B -98.6(2) . . . . ?
B2B B1B C15B C14B -35.70(19) . . . . ?
C14B B1B C15B Si1B -111.8(2) . . . . ?
B9B B1B C15B Si1B 111.0(2) . . . . ?
B8B B1B C15B Si1B 149.61(18) . . . . ?
B2B B1B C15B Si1B -147.50(19) . . . . ?
C14B B4B C15B B5B -137.6(2) . . . . ?
B6B B4B C15B B5B -38.7(2) . . . . ?
B3B B4B C15B B5B -101.5(2) . . . . ?
C14B B4B C15B B9B -99.6(2) . . . . ?
B6B B4B C15B B9B -0.7(3) . . . . ?
B5B B4B C15B B9B 38.0(2) . . . . ?
B3B B4B C15B B9B -63.5(3) . . . . ?
C14B B4B C15B B1B -32.6(2) . . . . ?
B6B B4B C15B B1B 66.3(3) . . . . ?
B5B B4B C15B B1B 105.0(2) . . . . ?
B3B B4B C15B B1B 3.5(3) . . . . ?
B6B B4B C15B C14B 98.9(2) . . . . ?
B5B B4B C15B C14B 137.6(2) . . . . ?
B3B B4B C15B C14B 36.10(19) . . . . ?
C14B B4B C15B Si1B 112.5(2) . . . . ?
B6B B4B C15B Si1B -148.55(19) . . . . ?
B5B B4B C15B Si1B -109.8(2) . . . . ?
B3B B4B C15B Si1B 148.62(18) . . . . ?
C2B C14B C15B B5B 140.9(6) . . . . ?
C2C C14B C15B B5B 155.3(9) . . . . ?
B2B C14B C15B B5B -67.0(3) . . . . ?
B3B C14B C15B B5B 0.4(3) . . . . ?
B4B C14B C15B B5B 39.0(2) . . . . ?
B1B C14B C15B B5B -105.4(2) . . . . ?
C2B C14B C15B B9B -153.1(6) . . . . ?
C2C C14B C15B B9B -138.7(9) . . . . ?
B2B C14B C15B B9B -0.9(3) . . . . ?
B3B C14B C15B B9B 66.5(3) . . . . ?
B4B C14B C15B B9B 105.0(2) . . . . ?
B1B C14B C15B B9B -39.3(2) . . . . ?
C2B C14B C15B B1B -113.8(6) . . . . ?
C2C C14B C15B B1B -99.4(9) . . . . ?
B2B C14B C15B B1B 38.4(2) . . . . ?
B3B C14B C15B B1B 105.8(2) . . . . ?
B4B C14B C15B B1B 144.4(2) . . . . ?
C2B C14B C15B B4B 101.9(6) . . . . ?
C2C C14B C15B B4B 116.3(10) . . . . ?
B2B C14B C15B B4B -105.9(2) . . . . ?
B3B C14B C15B B4B -38.6(2) . . . . ?
B1B C14B C15B B4B -144.4(2) . . . . ?
C2B C14B C15B Si1B -4.5(7) . . . . ?
C2C C14B C15B Si1B 9.9(10) . . . . ?
B2B C14B C15B Si1B 147.66(19) . . . . ?
B3B C14B C15B Si1B -145.0(2) . . . . ?
B4B C14B C15B Si1B -106.4(2) . . . . ?
B1B C14B C15B Si1B 109.2(2) . . . . ?
C18B Si1B C24B C29B 55.2(6) . . . . ?
C30B Si1B C24B C29B 172.0(2) . . . . ?
C18C Si1B C24B C29B 53.9(7) . . . . ?
C15B Si1B C24B C29B -69.6(3) . . . . ?
C18B Si1B C24B C25B -123.6(6) . . . . ?
C30B Si1B C24B C25B -6.9(3) . . . . ?
C18C Si1B C24B C25B -124.9(6) . . . . ?
C15B Si1B C24B C25B 111.5(2) . . . . ?
C29B C24B C25B C26B 0.1(4) . . . . ?
Si1B C24B C25B C26B 179.0(2) . . . . ?
C24B C25B C26B C27B 0.2(5) . . . . ?
C25B C26B C27B C28B -0.5(5) . . . . ?
C26B C27B C28B C29B 0.5(5) . . . . ?
C27B C28B C29B C24B -0.2(5) . . . . ?
C25B C24B C29B C28B -0.2(4) . . . . ?
Si1B C24B C29B C28B -179.0(2) . . . . ?
C18B Si1B C30B C31B -166.6(5) . . . . ?
C24B Si1B C30B C31B 70.1(3) . . . . ?
C18C Si1B C30B C31B -173.8(6) . . . . ?
C15B Si1B C30B C31B -47.5(3) . . . . ?
C18B Si1B C30B C35B 20.8(5) . . . . ?
C24B Si1B C30B C35B -102.5(2) . . . . ?
C18C Si1B C30B C35B 13.6(6) . . . . ?
C15B Si1B C30B C35B 139.8(2) . . . . ?
C35B C30B C31B C32B -0.6(4) . . . . ?
Si1B C30B C31B C32B -173.3(2) . . . . ?
C30B C31B C32B C33B -0.3(5) . . . . ?
C31B C32B C33B C34B 0.9(5) . . . . ?
C32B C33B C34B C35B -0.6(5) . . . . ?
C33B C34B C35B C30B -0.4(5) . . . . ?
C31B C30B C35B C34B 1.0(5) . . . . ?
Si1B C30B C35B C34B 174.2(3) . . . . ?
C10C C1C C2C C3C -3(4) . . . . ?
C10C C1C C2C C14B 177(2) . . . . ?
B2B C14B C2C C3C -57(3) . . . . ?
B3B C14B C2C C3C -130(2) . . . . ?
B4B C14B C2C C3C 152(2) . . . . ?
B1B C14B C2C C3C 13(3) . . . . ?
C15B C14B C2C C3C 79(3) . . . . ?
B2B C14B C2C C1C 123.4(19) . . . . ?
B3B C14B C2C C1C 50(3) . . . . ?
B4B C14B C2C C1C -28(3) . . . . ?
B1B C14B C2C C1C -167.5(18) . . . . ?
C15B C14B C2C C1C -101(2) . . . . ?
C1C C2C C3C C4C 4(4) . . . . ?
C14B C2C C3C C4C -176(2) . . . . ?
C2C C3C C4C C11C -1(3) . . . . ?
C12C C5C C6C C7C 0.0 . . . . ?
C5C C6C C7C C8C 0.0 . . . . ?
C6C C7C C8C C13C 0.0 . . . . ?
C7C C8C C13C C12C 0.0 . . . . ?
C7C C8C C13C C9C -179.8(17) . . . . ?
C8C C13C C12C C5C 0.0 . . . . ?
C9C C13C C12C C5C 179.8(14) . . . . ?
C8C C13C C12C C11C 178.4(12) . . . . ?
C9C C13C C12C C11C -1.8(15) . . . . ?
C6C C5C C12C C13C 0.0 . . . . ?
C6C C5C C12C C11C -178.1(15) . . . . ?
C12C C13C C9C C10C 3.8(18) . . . . ?
C8C C13C C9C C10C -176.4(13) . . . . ?
C12C C13C C9C C15C -122.2(19) . . . . ?
C8C C13C C9C C15C 58(2) . . . . ?
C12C C13C C9C C14C 121.1(14) . . . . ?
C8C C13C C9C C14C -59(2) . . . . ?
C2C C1C C10C C11C 0(4) . . . . ?
C2C C1C C10C C9C 179(3) . . . . ?
C13C C9C C10C C11C -5(2) . . . . ?
C15C C9C C10C C11C 115(3) . . . . ?
C14C C9C C10C C11C -120(2) . . . . ?
C13C C9C C10C C1C 177(2) . . . . ?
C15C C9C C10C C1C -63(3) . . . . ?
C14C C9C C10C C1C 62(3) . . . . ?
C1C C10C C11C C4C 2(3) . . . . ?
C9C C10C C11C C4C -177(2) . . . . ?
C1C C10C C11C C12C -177(2) . . . . ?
C9C C10C C11C C12C 4(2) . . . . ?
C3C C4C C11C C10C -1(3) . . . . ?
C3C C4C C11C C12C 177(2) . . . . ?
C13C C12C C11C C10C -1.4(18) . . . . ?
C5C C12C C11C C10C 176.8(15) . . . . ?
C13C C12C C11C C4C 179.6(18) . . . . ?
C5C C12C C11C C4C -2(3) . . . . ?
C23C C18C C19C C20C 0.0 . . . . ?
Si1B C18C C19C C20C 177.2(13) . . . . ?
C18C C19C C20C C21C 0.0 . . . . ?
C19C C20C C21C C22C 0.0 . . . . ?
C20C C21C C22C C23C 0.0 . . . . ?
C21C C22C C23C C18C 0.0 . . . . ?
C19C C18C C23C C22C 0.0 . . . . ?
Si1B C18C C23C C22C -177.4(12) . . . . ?

_refine_diff_density_max         0.275
_refine_diff_density_min         -0.290
_refine_diff_density_rms         0.049




