# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_sh3999b
_database_code_depnum_ccdc_archive 'CCDC 2016837'
loop_
_audit_author_name
_audit_author_address
'Volker Huch'
;Uni des Saarlandes
Germany
;
_audit_update_record             
;
2020-07-16 deposited with the CCDC.	2020-08-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C91 H138 N2 O Si7, C6 H14'
_chemical_formula_sum            'C97 H152 N2 O Si7'
_chemical_formula_weight         1558.83

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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                   13.0001(3)
_cell_length_b                   28.8076(8)
_cell_length_c                   26.4244(6)
_cell_angle_alpha                90
_cell_angle_beta                 93.4546(9)
_cell_angle_gamma                90
_cell_volume                     9878.0(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    133(2)
_cell_measurement_reflns_used    9938
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      29.58

_exptl_crystal_description       cuboid
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.048
_exptl_crystal_F_000             3416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.343
_exptl_crystal_size_mid          0.083
_exptl_crystal_size_min          0.028
_exptl_absorpt_coefficient_mu    0.140
_shelx_estimated_absorpt_T_min   0.954
_shelx_estimated_absorpt_T_max   0.996
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7132
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_process_details   
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      133(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            159316
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.925
_diffrn_reflns_theta_max         29.594
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             27713
_reflns_number_gt                22948
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0805P)²+6.8234P] 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         27713
_refine_ls_number_parameters     1110
_refine_ls_number_restraints     311
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0492
_refine_ls_wR_factor_ref         0.1541
_refine_ls_wR_factor_gt          0.1436
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.007
_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
Si6 Si 0.46184(3) 0.28623(2) 0.14125(2) 0.01620(8) Uani 1 1 d . . . . .
Si3 Si 0.45487(3) 0.23567(2) 0.20842(2) 0.01723(8) Uani 1 1 d . . . . .
Si1 Si 0.60527(3) 0.23788(2) 0.14250(2) 0.01636(8) Uani 1 1 d . . . . .
Si7 Si 0.72100(3) 0.17788(2) 0.25832(2) 0.01639(8) Uani 1 1 d . . . . .
Si5 Si 0.55316(3) 0.33969(2) 0.19680(2) 0.01598(8) Uani 1 1 d . . . . .
Si4 Si 0.62112(3) 0.26661(2) 0.22573(2) 0.01559(8) Uani 1 1 d . . . . .
Si2 Si 0.54080(3) 0.17080(2) 0.17912(2) 0.01710(8) Uani 1 1 d . . . . .
O1 O 0.63284(8) 0.15239(4) 0.22081(4) 0.0198(2) Uani 1 1 d . . . . .
N1 N 0.83951(10) 0.15017(5) 0.23550(5) 0.0201(2) Uani 1 1 d . . . . .
N2 N 0.76981(10) 0.13559(5) 0.30538(5) 0.0203(2) Uani 1 1 d . . . . .
C1 C 0.70206(11) 0.23620(5) 0.27463(5) 0.0175(3) Uani 1 1 d . . . . .
C2 C 0.73564(12) 0.25518(5) 0.32588(5) 0.0190(3) Uani 1 1 d . . . . .
C3 C 0.66303(13) 0.27092(6) 0.36022(6) 0.0223(3) Uani 1 1 d . . . . .
C4 C 0.69663(15) 0.28304(6) 0.40962(6) 0.0276(3) Uani 1 1 d . . . . .
H4 H 0.646867 0.292547 0.432391 0.033 Uiso 1 1 calc R U . . .
C5 C 0.79914(15) 0.28183(7) 0.42690(6) 0.0300(4) Uani 1 1 d . . . . .
C6 C 0.87069(14) 0.26966(6) 0.39223(6) 0.0284(3) Uani 1 1 d . . . . .
H6 H 0.941875 0.270235 0.402709 0.034 Uiso 1 1 calc R U . . .
C7 C 0.84155(12) 0.25660(6) 0.34239(6) 0.0216(3) Uani 1 1 d . . . . .
C8 C 0.54833(13) 0.27594(7) 0.34511(6) 0.0277(3) Uani 1 1 d . . . . .
H8 H 0.543226 0.287556 0.309389 0.033 Uiso 1 1 calc R U . . .
C9 C 0.49002(15) 0.23006(8) 0.34518(7) 0.0380(4) Uani 1 1 d . . . . .
H9A H 0.417310 0.235466 0.334903 0.057 Uiso 1 1 calc R U . . .
H9B H 0.495522 0.216681 0.379331 0.057 Uiso 1 1 calc R U . . .
H9C H 0.519711 0.208514 0.321333 0.057 Uiso 1 1 calc R U . . .
C10 C 0.49365(18) 0.31174(10) 0.37698(7) 0.0478(6) Uani 1 1 d . . . . .
H10A H 0.534604 0.340303 0.379441 0.072 Uiso 1 1 calc R U . . .
H10B H 0.485900 0.299228 0.411021 0.072 Uiso 1 1 calc R U . . .
H10C H 0.425490 0.318589 0.360834 0.072 Uiso 1 1 calc R U . . .
C11 C 0.82971(18) 0.29533(9) 0.48131(7) 0.0444(5) Uani 1 1 d . . . . .
H11 H 0.765401 0.294240 0.500227 0.053 Uiso 1 1 calc R U . . .
C12 C 0.9039(3) 0.26074(14) 0.50680(9) 0.0735(10) Uani 1 1 d . . . . .
H12A H 0.874616 0.229458 0.503719 0.110 Uiso 1 1 calc R U . . .
H12B H 0.915604 0.268733 0.542742 0.110 Uiso 1 1 calc R U . . .
H12C H 0.969566 0.261685 0.490429 0.110 Uiso 1 1 calc R U . . .
C13 C 0.8675(3) 0.34520(12) 0.48381(11) 0.0734(9) Uani 1 1 d . . . . .
H13A H 0.929268 0.348179 0.464517 0.110 Uiso 1 1 calc R U . . .
H13B H 0.884257 0.353808 0.519233 0.110 Uiso 1 1 calc R U . . .
H13C H 0.813514 0.365807 0.469283 0.110 Uiso 1 1 calc R U . . .
C14 C 0.92466(12) 0.24729(6) 0.30562(6) 0.0250(3) Uani 1 1 d . . . . .
H14 H 0.898890 0.221944 0.282304 0.030 Uiso 1 1 calc R U . . .
C15 C 1.02757(14) 0.23134(8) 0.33047(8) 0.0354(4) Uani 1 1 d . . . . .
H15A H 1.072436 0.220784 0.304283 0.053 Uiso 1 1 calc R U . . .
H15B H 1.015908 0.205748 0.353876 0.053 Uiso 1 1 calc R U . . .
H15C H 1.060483 0.257255 0.349232 0.053 Uiso 1 1 calc R U . . .
C16 C 0.93943(16) 0.29001(8) 0.27355(8) 0.0396(5) Uani 1 1 d . . . . .
H16A H 0.989421 0.283282 0.248223 0.059 Uiso 1 1 calc R U . . .
H16B H 0.965014 0.315586 0.295289 0.059 Uiso 1 1 calc R U . . .
H16C H 0.873404 0.298836 0.256372 0.059 Uiso 1 1 calc R U . . .
C17 C 0.46533(12) 0.12020(5) 0.15199(6) 0.0212(3) Uani 1 1 d . . . . .
C18 C 0.39468(12) 0.09888(6) 0.18321(6) 0.0234(3) Uani 1 1 d . . . . .
C19 C 0.32312(14) 0.06717(6) 0.16231(7) 0.0304(4) Uani 1 1 d . . . . .
H19 H 0.275554 0.053159 0.183563 0.036 Uiso 1 1 calc R U . . .
C20 C 0.31954(16) 0.05549(7) 0.11110(8) 0.0353(4) Uani 1 1 d . . . . .
C21 C 0.39098(17) 0.07561(7) 0.08108(7) 0.0362(4) Uani 1 1 d . . . . .
H21 H 0.390261 0.067375 0.046248 0.043 Uiso 1 1 calc R U . . .
C22 C 0.46408(15) 0.10761(6) 0.10025(6) 0.0282(3) Uani 1 1 d . . . . .
C23 C 0.39389(14) 0.10926(6) 0.23968(6) 0.0266(3) Uani 1 1 d . . . . .
H23 H 0.447877 0.133388 0.247418 0.032 Uiso 1 1 calc R U . . .
C24 C 0.29132(18) 0.12992(12) 0.25403(10) 0.0581(7) Uani 1 1 d . . . . .
H24A H 0.275805 0.157647 0.233479 0.087 Uiso 1 1 calc R U . . .
H24B H 0.296018 0.138395 0.290014 0.087 Uiso 1 1 calc R U . . .
H24C H 0.236387 0.106962 0.247798 0.087 Uiso 1 1 calc R U . . .
C25 C 0.4247(3) 0.06659(9) 0.27115(9) 0.0691(9) Uani 1 1 d . . . . .
H25A H 0.372531 0.042313 0.265353 0.104 Uiso 1 1 calc R U . . .
H25B H 0.429991 0.074901 0.307174 0.104 Uiso 1 1 calc R U . . .
H25C H 0.491507 0.055103 0.261150 0.104 Uiso 1 1 calc R U . . .
C26 C 0.23416(19) 0.02361(8) 0.08990(10) 0.0519(6) Uani 1 1 d D . . . .
H26A H 0.220910 0.001274 0.117733 0.062 Uiso 0.42(2) 1 calc R U P A 1
H26B H 0.198641 0.009207 0.118532 0.062 Uiso 0.58(2) 1 calc R U P A 2
C27A C 0.1338(7) 0.0529(4) 0.0816(7) 0.075(3) Uani 0.42(2) 1 d D U P A 1
H27A H 0.142547 0.075773 0.054769 0.113 Uiso 0.42(2) 1 calc R U P A 1
H27B H 0.119914 0.069014 0.113174 0.113 Uiso 0.42(2) 1 calc R U P A 1
H27C H 0.075947 0.032383 0.071785 0.113 Uiso 0.42(2) 1 calc R U P A 1
C28A C 0.2576(11) -0.0061(6) 0.0443(5) 0.071(3) Uani 0.42(2) 1 d D U P A 1
H28A H 0.258101 0.013517 0.013996 0.106 Uiso 0.42(2) 1 calc R U P A 1
H28B H 0.204675 -0.030129 0.039160 0.106 Uiso 0.42(2) 1 calc R U P A 1
H28C H 0.325251 -0.020793 0.050358 0.106 Uiso 0.42(2) 1 calc R U P A 1
C27B C 0.1557(9) 0.0517(3) 0.0566(6) 0.089(3) Uani 0.58(2) 1 d D U P A 2
H27D H 0.188414 0.062791 0.026333 0.134 Uiso 0.58(2) 1 calc R U P A 2
H27E H 0.132088 0.078371 0.075793 0.134 Uiso 0.58(2) 1 calc R U P A 2
H27F H 0.096762 0.031985 0.046292 0.134 Uiso 0.58(2) 1 calc R U P A 2
C28B C 0.2806(8) -0.0152(2) 0.0574(3) 0.069(2) Uani 0.58(2) 1 d D U P A 2
H28D H 0.226507 -0.037412 0.046666 0.103 Uiso 0.58(2) 1 calc R U P A 2
H28E H 0.335320 -0.031335 0.077615 0.103 Uiso 0.58(2) 1 calc R U P A 2
H28F H 0.309371 -0.001387 0.027454 0.103 Uiso 0.58(2) 1 calc R U P A 2
C29 C 0.53783(18) 0.12887(7) 0.06417(7) 0.0377(5) Uani 1 1 d . . . . .
H29 H 0.590329 0.147066 0.085066 0.045 Uiso 1 1 calc R U . . .
C30 C 0.5958(2) 0.09234(9) 0.03473(9) 0.0559(7) Uani 1 1 d . . . . .
H30A H 0.546243 0.073285 0.014526 0.084 Uiso 1 1 calc R U . . .
H30B H 0.636140 0.072502 0.058643 0.084 Uiso 1 1 calc R U . . .
H30C H 0.642170 0.107877 0.012219 0.084 Uiso 1 1 calc R U . . .
C31 C 0.4815(3) 0.16256(9) 0.02797(9) 0.0598(7) Uani 1 1 d . . . . .
H31A H 0.529811 0.175076 0.004346 0.090 Uiso 1 1 calc R U . . .
H31B H 0.453025 0.188051 0.047301 0.090 Uiso 1 1 calc R U . . .
H31C H 0.425479 0.146296 0.008898 0.090 Uiso 1 1 calc R U . . .
C32 C 0.49571(13) 0.37293(6) 0.25157(6) 0.0237(3) Uani 1 1 d . . . . .
C33 C 0.38999(14) 0.37466(7) 0.26222(6) 0.0301(4) Uani 1 1 d . . . . .
C34 C 0.35843(17) 0.40449(9) 0.30001(7) 0.0428(5) Uani 1 1 d . . . . .
H34 H 0.287634 0.405001 0.307055 0.051 Uiso 1 1 calc R U . . .
C35 C 0.4258(2) 0.43323(9) 0.32750(8) 0.0514(7) Uani 1 1 d D . . . .
C36 C 0.52883(19) 0.43043(8) 0.31833(7) 0.0435(5) Uani 1 1 d . . . . .
H36 H 0.576559 0.449337 0.337583 0.052 Uiso 1 1 calc R U . . .
C37 C 0.56563(15) 0.40070(6) 0.28163(6) 0.0294(4) Uani 1 1 d . . . . .
C38 C 0.30619(13) 0.34601(7) 0.23438(7) 0.0310(4) Uani 1 1 d . . . . .
H38 H 0.336886 0.331530 0.204374 0.037 Uiso 1 1 calc R U . . .
C39 C 0.26916(16) 0.30671(9) 0.26764(8) 0.0421(5) Uani 1 1 d . . . . .
H39A H 0.218384 0.287784 0.248022 0.063 Uiso 1 1 calc R U . . .
H39B H 0.237410 0.319864 0.297140 0.063 Uiso 1 1 calc R U . . .
H39C H 0.327939 0.287292 0.279075 0.063 Uiso 1 1 calc R U . . .
C40 C 0.21285(15) 0.37514(9) 0.21456(8) 0.0410(5) Uani 1 1 d . . . . .
H40A H 0.236690 0.401317 0.194678 0.062 Uiso 1 1 calc R U . . .
H40B H 0.176312 0.386889 0.243299 0.062 Uiso 1 1 calc R U . . .
H40C H 0.166194 0.355738 0.193101 0.062 Uiso 1 1 calc R U . . .
C41A C 0.4089(5) 0.4755(2) 0.36314(18) 0.0319(13) Uani 0.448(9) 1 d D U P B 1
H41A H 0.474057 0.493488 0.369814 0.038 Uiso 0.448(9) 1 calc R U P B 1
C42A C 0.3223(6) 0.5065(3) 0.3413(3) 0.055(2) Uani 0.448(9) 1 d D U P B 1
H42A H 0.345127 0.522725 0.311323 0.083 Uiso 0.448(9) 1 calc R U P B 1
H42B H 0.304442 0.529355 0.366830 0.083 Uiso 0.448(9) 1 calc R U P B 1
H42C H 0.261796 0.487522 0.331663 0.083 Uiso 0.448(9) 1 calc R U P B 1
C43A C 0.3763(9) 0.4519(3) 0.4110(3) 0.061(2) Uani 0.448(9) 1 d D U P B 1
H43A H 0.432620 0.432248 0.424966 0.092 Uiso 0.448(9) 1 calc R U P B 1
H43B H 0.315279 0.432691 0.402856 0.092 Uiso 0.448(9) 1 calc R U P B 1
H43C H 0.359950 0.475477 0.435974 0.092 Uiso 0.448(9) 1 calc R U P B 1
C41B C 0.3708(4) 0.46267(16) 0.36626(15) 0.0328(10) Uani 0.552(9) 1 d D U P B 2
H41B H 0.297526 0.452368 0.367651 0.039 Uiso 0.552(9) 1 calc R U P B 2
C42B C 0.3748(6) 0.51190(17) 0.3447(2) 0.0508(15) Uani 0.552(9) 1 d D U P B 2
H42D H 0.446731 0.521996 0.344295 0.076 Uiso 0.552(9) 1 calc R U P B 2
H42E H 0.337009 0.533046 0.365931 0.076 Uiso 0.552(9) 1 calc R U P B 2
H42F H 0.343245 0.512176 0.310073 0.076 Uiso 0.552(9) 1 calc R U P B 2
C43B C 0.4253(6) 0.4596(3) 0.41855(19) 0.0498(15) Uani 0.552(9) 1 d D U P B 2
H43D H 0.497389 0.468995 0.416655 0.075 Uiso 0.552(9) 1 calc R U P B 2
H43E H 0.422363 0.427577 0.430910 0.075 Uiso 0.552(9) 1 calc R U P B 2
H43F H 0.391289 0.480224 0.441850 0.075 Uiso 0.552(9) 1 calc R U P B 2
C44 C 0.68156(14) 0.40098(6) 0.27579(7) 0.0288(4) Uani 1 1 d . . . . .
H44 H 0.696829 0.377684 0.249208 0.035 Uiso 1 1 calc R U . . .
C45 C 0.71794(19) 0.44860(7) 0.25799(8) 0.0415(5) Uani 1 1 d . . . . .
H45A H 0.792364 0.447669 0.253978 0.062 Uiso 1 1 calc R U . . .
H45B H 0.702734 0.472193 0.283190 0.062 Uiso 1 1 calc R U . . .
H45C H 0.681961 0.456350 0.225430 0.062 Uiso 1 1 calc R U . . .
C46 C 0.74203(16) 0.38697(7) 0.32511(7) 0.0356(4) Uani 1 1 d . . . . .
H46A H 0.718141 0.356566 0.336189 0.053 Uiso 1 1 calc R U . . .
H46B H 0.730918 0.410117 0.351407 0.053 Uiso 1 1 calc R U . . .
H46C H 0.815650 0.385290 0.319223 0.053 Uiso 1 1 calc R U . . .
C47 C 0.61146(11) 0.38716(5) 0.15605(5) 0.0187(3) Uani 1 1 d . . . . .
C48 C 0.54426(12) 0.42320(5) 0.13801(6) 0.0216(3) Uani 1 1 d . . . . .
C49 C 0.58087(13) 0.45954(6) 0.10926(6) 0.0263(3) Uani 1 1 d . . . . .
H49 H 0.535056 0.483928 0.098970 0.032 Uiso 1 1 calc R U . . .
C50 C 0.68161(13) 0.46134(6) 0.09519(7) 0.0270(3) Uani 1 1 d . . . . .
C51 C 0.74714(13) 0.42545(6) 0.11164(6) 0.0256(3) Uani 1 1 d . . . . .
H51 H 0.816374 0.425759 0.102002 0.031 Uiso 1 1 calc R U . . .
C52 C 0.71486(12) 0.38893(5) 0.14184(6) 0.0206(3) Uani 1 1 d . . . . .
C53 C 0.43071(12) 0.42577(6) 0.14902(6) 0.0240(3) Uani 1 1 d . . . . .
H53 H 0.412671 0.396572 0.166939 0.029 Uiso 1 1 calc R U . . .
C54 C 0.35996(14) 0.42942(7) 0.10049(7) 0.0315(4) Uani 1 1 d . . . . .
H54A H 0.378062 0.457160 0.081494 0.047 Uiso 1 1 calc R U . . .
H54B H 0.288097 0.431626 0.109505 0.047 Uiso 1 1 calc R U . . .
H54C H 0.368586 0.401793 0.079522 0.047 Uiso 1 1 calc R U . . .
C55 C 0.41220(15) 0.46661(7) 0.18440(8) 0.0342(4) Uani 1 1 d . . . . .
H55A H 0.431116 0.495651 0.168018 0.051 Uiso 1 1 calc R U . . .
H55B H 0.454412 0.462706 0.216112 0.051 Uiso 1 1 calc R U . . .
H55C H 0.339231 0.467634 0.191731 0.051 Uiso 1 1 calc R U . . .
C56 C 0.71950(15) 0.49879(7) 0.06018(8) 0.0349(4) Uani 1 1 d . . . . .
H56 H 0.792613 0.505988 0.071370 0.042 Uiso 1 1 calc R U . . .
C57 C 0.71853(18) 0.48002(9) 0.00580(8) 0.0455(5) Uani 1 1 d . . . . .
H57A H 0.647578 0.472746 -0.006219 0.068 Uiso 1 1 calc R U . . .
H57B H 0.760627 0.451826 0.005234 0.068 Uiso 1 1 calc R U . . .
H57C H 0.746777 0.503505 -0.016328 0.068 Uiso 1 1 calc R U . . .
C58 C 0.6588(2) 0.54374(8) 0.06117(12) 0.0607(7) Uani 1 1 d . . . . .
H58A H 0.689852 0.566716 0.039383 0.091 Uiso 1 1 calc R U . . .
H58B H 0.659999 0.555539 0.095983 0.091 Uiso 1 1 calc R U . . .
H58C H 0.587372 0.537991 0.048776 0.091 Uiso 1 1 calc R U . . .
C59 C 0.79469(12) 0.35197(6) 0.15681(6) 0.0240(3) Uani 1 1 d . . . . .
H59 H 0.764320 0.330968 0.182084 0.029 Uiso 1 1 calc R U . . .
C60 C 0.81942(14) 0.32259(7) 0.11074(8) 0.0314(4) Uani 1 1 d . . . . .
H60A H 0.756102 0.308028 0.096339 0.047 Uiso 1 1 calc R U . . .
H60B H 0.869368 0.298462 0.121266 0.047 Uiso 1 1 calc R U . . .
H60C H 0.848584 0.342485 0.085150 0.047 Uiso 1 1 calc R U . . .
C61 C 0.89420(13) 0.37294(7) 0.18178(7) 0.0322(4) Uani 1 1 d . . . . .
H61A H 0.923172 0.395252 0.158534 0.048 Uiso 1 1 calc R U . . .
H61B H 0.944267 0.348118 0.189493 0.048 Uiso 1 1 calc R U . . .
H61C H 0.878487 0.388782 0.213215 0.048 Uiso 1 1 calc R U . . .
C62 C 0.37623(11) 0.29558(5) 0.08161(5) 0.0180(3) Uani 1 1 d . . . . .
C63 C 0.27017(12) 0.28374(6) 0.07860(6) 0.0229(3) Uani 1 1 d . . . . .
C64 C 0.21157(12) 0.29076(7) 0.03339(6) 0.0295(4) Uani 1 1 d . . . . .
H64 H 0.140579 0.282702 0.031754 0.035 Uiso 1 1 calc R U . . .
C65 C 0.25353(13) 0.30917(7) -0.00948(6) 0.0281(3) Uani 1 1 d . . . . .
C66 C 0.35753(12) 0.32020(6) -0.00655(6) 0.0243(3) Uani 1 1 d . . . . .
H66 H 0.387547 0.332281 -0.035692 0.029 Uiso 1 1 calc R U . . .
C67 C 0.41956(11) 0.31404(5) 0.03806(5) 0.0186(3) Uani 1 1 d . . . . .
C68 C 0.21873(13) 0.26095(7) 0.12244(6) 0.0306(4) Uani 1 1 d . . . . .
H68 H 0.258409 0.270334 0.154400 0.037 Uiso 1 1 calc R U . . .
C69 C 0.10675(14) 0.27648(10) 0.12699(8) 0.0445(5) Uani 1 1 d . . . . .
H69A H 0.102962 0.310429 0.125513 0.067 Uiso 1 1 calc R U . . .
H69B H 0.082437 0.265684 0.159353 0.067 Uiso 1 1 calc R U . . .
H69C H 0.063331 0.263229 0.099015 0.067 Uiso 1 1 calc R U . . .
C70 C 0.22582(18) 0.20830(9) 0.11835(9) 0.0456(5) Uani 1 1 d . . . . .
H70A H 0.186197 0.197843 0.087732 0.068 Uiso 1 1 calc R U . . .
H70B H 0.197718 0.194029 0.148227 0.068 Uiso 1 1 calc R U . . .
H70C H 0.298098 0.199155 0.116466 0.068 Uiso 1 1 calc R U . . .
C71 C 0.18371(14) 0.31680(9) -0.05709(7) 0.0366(4) Uani 1 1 d . . . . .
H71 H 0.141566 0.288036 -0.062910 0.044 Uiso 1 1 calc R U . . .
C72 C 0.10960(19) 0.35672(12) -0.04926(9) 0.0599(8) Uani 1 1 d . . . . .
H72A H 0.062180 0.359928 -0.079317 0.090 Uiso 1 1 calc R U . . .
H72B H 0.148696 0.385563 -0.043861 0.090 Uiso 1 1 calc R U . . .
H72C H 0.070203 0.350365 -0.019551 0.090 Uiso 1 1 calc R U . . .
C73 C 0.24146(15) 0.32536(9) -0.10447(7) 0.0417(5) Uani 1 1 d . . . . .
H73A H 0.192060 0.328318 -0.133804 0.062 Uiso 1 1 calc R U . . .
H73B H 0.287920 0.299257 -0.109796 0.062 Uiso 1 1 calc R U . . .
H73C H 0.281661 0.354036 -0.100397 0.062 Uiso 1 1 calc R U . . .
C74 C 0.53320(11) 0.32580(6) 0.03637(5) 0.0202(3) Uani 1 1 d . . . . .
H74 H 0.563104 0.327107 0.072111 0.024 Uiso 1 1 calc R U . . .
C75 C 0.58943(13) 0.28737(7) 0.00897(7) 0.0283(3) Uani 1 1 d . . . . .
H75A H 0.558586 0.283938 -0.025586 0.042 Uiso 1 1 calc R U . . .
H75B H 0.583272 0.258045 0.027338 0.042 Uiso 1 1 calc R U . . .
H75C H 0.662380 0.295562 0.007644 0.042 Uiso 1 1 calc R U . . .
C76 C 0.55306(14) 0.37273(6) 0.01162(6) 0.0285(3) Uani 1 1 d . . . . .
H76A H 0.530505 0.371440 -0.024415 0.043 Uiso 1 1 calc R U . . .
H76B H 0.626880 0.379823 0.015109 0.043 Uiso 1 1 calc R U . . .
H76C H 0.514525 0.396984 0.028316 0.043 Uiso 1 1 calc R U . . .
C77 C 0.84601(12) 0.12273(5) 0.27599(6) 0.0208(3) Uani 1 1 d . . . . .
C78 C 0.89344(13) 0.14814(6) 0.18764(6) 0.0255(3) Uani 1 1 d . . . . .
C79 C 0.88197(15) 0.19615(7) 0.16410(7) 0.0353(4) Uani 1 1 d . . . . .
H79A H 0.915151 0.196675 0.131768 0.053 Uiso 1 1 calc R U . . .
H79B H 0.914720 0.219168 0.187131 0.053 Uiso 1 1 calc R U . . .
H79C H 0.808646 0.203545 0.158212 0.053 Uiso 1 1 calc R U . . .
C80 C 0.8404(2) 0.11210(9) 0.15284(8) 0.0485(6) Uani 1 1 d . . . . .
H80A H 0.767531 0.120285 0.146726 0.073 Uiso 1 1 calc R U . . .
H80B H 0.845946 0.081465 0.168898 0.073 Uiso 1 1 calc R U . . .
H80C H 0.873576 0.111375 0.120518 0.073 Uiso 1 1 calc R U . . .
C81 C 1.00777(15) 0.13727(9) 0.19630(8) 0.0408(5) Uani 1 1 d . . . . .
H81A H 1.041555 0.140780 0.164351 0.061 Uiso 1 1 calc R U . . .
H81B H 1.016354 0.105316 0.208547 0.061 Uiso 1 1 calc R U . . .
H81C H 1.039000 0.158735 0.221574 0.061 Uiso 1 1 calc R U . . .
C82 C 0.92219(13) 0.08505(6) 0.28716(6) 0.0256(3) Uani 1 1 d . . . . .
C83 C 1.01486(14) 0.09479(7) 0.31393(7) 0.0324(4) Uani 1 1 d . . . . .
H83 H 1.029939 0.125642 0.324689 0.039 Uiso 1 1 calc R U . . .
C84 C 1.08569(17) 0.05949(9) 0.32503(9) 0.0448(5) Uani 1 1 d . . . . .
H84 H 1.149229 0.066364 0.343120 0.054 Uiso 1 1 calc R U . . .
C85 C 1.0641(2) 0.01482(9) 0.30996(9) 0.0532(6) Uani 1 1 d . . . . .
H85 H 1.112100 -0.009299 0.318161 0.064 Uiso 1 1 calc R U . . .
C86 C 0.9729(2) 0.00493(8) 0.28294(10) 0.0550(6) Uani 1 1 d . . . . .
H86 H 0.958844 -0.025980 0.272063 0.066 Uiso 1 1 calc R U . . .
C87 C 0.90070(18) 0.03992(7) 0.27132(8) 0.0403(5) Uani 1 1 d . . . . .
H87 H 0.837701 0.032899 0.252812 0.048 Uiso 1 1 calc R U . . .
C88 C 0.74394(14) 0.11854(6) 0.35622(6) 0.0259(3) Uani 1 1 d . . . . .
C89A C 0.6465(2) 0.14294(11) 0.36830(10) 0.0385(7) Uani 0.730(4) 1 d . U P C 1
H89A H 0.658310 0.176536 0.368974 0.058 Uiso 0.730(4) 1 calc R U P C 1
H89B H 0.625526 0.132678 0.401506 0.058 Uiso 0.730(4) 1 calc R U P C 1
H89C H 0.591989 0.135542 0.342315 0.058 Uiso 0.730(4) 1 calc R U P C 1
C90A C 0.8307(2) 0.13428(11) 0.39607(9) 0.0387(7) Uani 0.730(4) 1 d . U P C 1
H90A H 0.895824 0.119472 0.388490 0.058 Uiso 0.730(4) 1 calc R U P C 1
H90B H 0.812179 0.125160 0.430080 0.058 Uiso 0.730(4) 1 calc R U P C 1
H90C H 0.838340 0.168091 0.394629 0.058 Uiso 0.730(4) 1 calc R U P C 1
C91A C 0.7324(3) 0.06704(11) 0.35694(13) 0.0417(7) Uani 0.730(4) 1 d . U P C 1
H91A H 0.687075 0.057221 0.327941 0.062 Uiso 0.730(4) 1 calc R U P C 1
H91B H 0.702430 0.057568 0.388486 0.062 Uiso 0.730(4) 1 calc R U P C 1
H91C H 0.800182 0.052498 0.354875 0.062 Uiso 0.730(4) 1 calc R U P C 1
C89B C 0.6179(6) 0.1078(3) 0.3479(3) 0.0396(17) Uani 0.270(4) 1 d . U P C 2
H89D H 0.592380 0.095765 0.379519 0.059 Uiso 0.270(4) 1 calc R U P C 2
H89E H 0.605844 0.084766 0.320924 0.059 Uiso 0.270(4) 1 calc R U P C 2
H89F H 0.581363 0.136573 0.338457 0.059 Uiso 0.270(4) 1 calc R U P C 2
C90B C 0.7587(8) 0.1521(3) 0.3954(3) 0.0417(18) Uani 0.270(4) 1 d . U P C 2
H90D H 0.832268 0.159329 0.400569 0.063 Uiso 0.270(4) 1 calc R U P C 2
H90E H 0.733541 0.139669 0.426932 0.063 Uiso 0.270(4) 1 calc R U P C 2
H90F H 0.720543 0.180400 0.385862 0.063 Uiso 0.270(4) 1 calc R U P C 2
C91B C 0.7832(8) 0.0691(3) 0.3711(4) 0.0391(19) Uani 0.270(4) 1 d . U P C 2
H91D H 0.857811 0.070042 0.378998 0.059 Uiso 0.270(4) 1 calc R U P C 2
H91E H 0.767902 0.047725 0.342770 0.059 Uiso 0.270(4) 1 calc R U P C 2
H91F H 0.748668 0.058317 0.400896 0.059 Uiso 0.270(4) 1 calc R U P C 2
C92 C 0.0671(2) 0.41853(12) 0.07744(11) 0.0614(7) Uani 1 1 d . . . . .
H92A H 0.007574 0.398787 0.068113 0.092 Uiso 1 1 calc R U . . .
H92B H 0.083987 0.416122 0.113997 0.092 Uiso 1 1 calc R U . . .
H92C H 0.126292 0.408373 0.058994 0.092 Uiso 1 1 calc R U . . .
C93 C 0.04162(19) 0.46840(11) 0.06390(10) 0.0534(6) Uani 1 1 d . . . . .
H93A H 0.101737 0.488178 0.073892 0.064 Uiso 1 1 calc R U . . .
H93B H -0.016753 0.478722 0.083508 0.064 Uiso 1 1 calc R U . . .
C94 C 0.01321(18) 0.47531(10) 0.00713(9) 0.0492(6) Uani 1 1 d . . . . .
H94A H 0.071838 0.465089 -0.012350 0.059 Uiso 1 1 calc R U . . .
H94B H -0.046440 0.455246 -0.002811 0.059 Uiso 1 1 calc R U . . .
C1_1 C 1.2338(7) 0.3103(3) 0.4444(4) 0.111(3) Uani 0.5 1 d D U P . .
H1A_1 H 1.266841 0.296428 0.475126 0.133 Uiso 0.5 1 calc R U P . .
H1B_1 H 1.185766 0.287954 0.428031 0.133 Uiso 0.5 1 calc R U P . .
H1C_1 H 1.286563 0.318626 0.421045 0.133 Uiso 0.5 1 calc R U P . .
C2_1 C 1.1874(8) 0.3447(4) 0.4556(3) 0.115(3) Uani 0.5 1 d D U P . .
H2A_1 H 1.234082 0.368355 0.471562 0.138 Uiso 0.5 1 calc R U P . .
H2B_1 H 1.132312 0.337387 0.478616 0.138 Uiso 0.5 1 calc R U P . .
C3_1 C 1.1473(6) 0.3589(3) 0.4085(3) 0.106(2) Uani 0.5 1 d D U P . .
H3A_1 H 1.203109 0.360513 0.384695 0.128 Uiso 0.5 1 calc R U P . .
H3B_1 H 1.095706 0.336020 0.395152 0.128 Uiso 0.5 1 calc R U P . .
C4_1 C 1.1079(5) 0.3959(3) 0.4116(3) 0.088(2) Uani 0.5 1 d D U P . .
H4A_1 H 1.164498 0.417070 0.423177 0.106 Uiso 0.5 1 calc R U P . .
H4B_1 H 1.062873 0.393204 0.440317 0.106 Uiso 0.5 1 calc R U P . .
C5_1 C 1.0581(8) 0.4174(5) 0.3797(5) 0.153(4) Uani 0.5 1 d D U P . .
H5A_1 H 0.997759 0.396372 0.378089 0.184 Uiso 0.5 1 calc R U P . .
H5B_1 H 1.097470 0.407343 0.350777 0.184 Uiso 0.5 1 calc R U P . .
C6_1 C 1.0145(7) 0.4501(4) 0.3579(5) 0.136(4) Uani 0.5 1 d D U P . .
H6A_1 H 0.981109 0.439301 0.325758 0.163 Uiso 0.5 1 calc R U P . .
H6B_1 H 0.962334 0.462872 0.379261 0.163 Uiso 0.5 1 calc R U P . .
H6C_1 H 1.065042 0.474174 0.351128 0.163 Uiso 0.5 1 calc R U P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si6 C62 1.8929(14) . ?
Si6 Si3 2.3021(6) . ?
Si6 Si1 2.3260(6) . ?
Si6 Si5 2.3930(6) . ?
Si3 Si2 2.3333(6) . ?
Si3 Si4 2.3571(6) . ?
Si3 Si1 2.6967(6) . ?
Si1 Si2 2.3391(6) . ?
Si1 Si4 2.3475(5) . ?
Si7 O1 1.6424(11) . ?
Si7 C1 1.7555(15) . ?
Si7 N2 1.8270(13) . ?
Si7 N1 1.8671(14) . ?
Si7 C77 2.3004(16) . ?
Si5 C32 1.9233(16) . ?
Si5 C47 1.9241(15) . ?
Si5 Si4 2.3907(6) . ?
Si4 C1 1.8386(14) . ?
Si2 O1 1.6636(11) . ?
Si2 C17 1.8752(16) . ?
N1 C77 1.329(2) . ?
N1 C78 1.484(2) . ?
N2 C77 1.347(2) . ?
N2 C88 1.488(2) . ?
C1 C2 1.5009(19) . ?
C2 C7 1.420(2) . ?
C2 C3 1.422(2) . ?
C3 C4 1.396(2) . ?
C3 C8 1.527(2) . ?
C4 C5 1.383(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(3) . ?
C5 C11 1.519(2) . ?
C6 C7 1.400(2) . ?
C6 H6 0.9500 . ?
C7 C14 1.520(2) . ?
C8 C9 1.524(3) . ?
C8 C10 1.533(3) . ?
C8 H8 1.0000 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.516(4) . ?
C11 C13 1.519(4) . ?
C11 H11 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C16 1.513(3) . ?
C14 C15 1.525(2) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.412(2) . ?
C17 C22 1.414(2) . ?
C18 C19 1.394(2) . ?
C18 C23 1.523(2) . ?
C19 C20 1.392(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(3) . ?
C20 C26 1.521(3) . ?
C21 C22 1.397(2) . ?
C21 H21 0.9500 . ?
C22 C29 1.521(3) . ?
C23 C25 1.524(3) . ?
C23 C24 1.529(3) . ?
C23 H23 1.0000 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C28A 1.524(6) . ?
C26 C27B 1.537(5) . ?
C26 C28B 1.554(6) . ?
C26 C27A 1.558(7) . ?
C26 H26A 1.0000 . ?
C26 H26B 1.0000 . ?
C27A H27A 0.9800 . ?
C27A H27B 0.9800 . ?
C27A H27C 0.9800 . ?
C28A H28A 0.9800 . ?
C28A H28B 0.9800 . ?
C28A H28C 0.9800 . ?
C27B H27D 0.9800 . ?
C27B H27E 0.9800 . ?
C27B H27F 0.9800 . ?
C28B H28D 0.9800 . ?
C28B H28E 0.9800 . ?
C28B H28F 0.9800 . ?
C29 C31 1.519(3) . ?
C29 C30 1.534(3) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C37 1.418(2) . ?
C32 C33 1.420(2) . ?
C33 C34 1.397(2) . ?
C33 C38 1.521(3) . ?
C34 C35 1.380(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.378(4) . ?
C35 C41B 1.539(4) . ?
C35 C41A 1.563(5) . ?
C36 C37 1.399(2) . ?
C36 H36 0.9500 . ?
C37 C44 1.524(3) . ?
C38 C39 1.529(3) . ?
C38 C40 1.541(3) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41A C43A 1.518(6) . ?
C41A C42A 1.523(6) . ?
C41A H41A 1.0000 . ?
C42A H42A 0.9800 . ?
C42A H42B 0.9800 . ?
C42A H42C 0.9800 . ?
C43A H43A 0.9800 . ?
C43A H43B 0.9800 . ?
C43A H43C 0.9800 . ?
C41B C43B 1.517(5) . ?
C41B C42B 1.530(5) . ?
C41B H41B 1.0000 . ?
C42B H42D 0.9800 . ?
C42B H42E 0.9800 . ?
C42B H42F 0.9800 . ?
C43B H43D 0.9800 . ?
C43B H43E 0.9800 . ?
C43B H43F 0.9800 . ?
C44 C45 1.534(3) . ?
C44 C46 1.535(2) . ?
C44 H44 1.0000 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C52 1.418(2) . ?
C47 C48 1.421(2) . ?
C48 C49 1.394(2) . ?
C48 C53 1.523(2) . ?
C49 C50 1.384(2) . ?
C49 H49 0.9500 . ?
C50 C51 1.393(2) . ?
C50 C56 1.522(2) . ?
C51 C52 1.400(2) . ?
C51 H51 0.9500 . ?
C52 C59 1.522(2) . ?
C53 C55 1.531(2) . ?
C53 C54 1.536(2) . ?
C53 H53 1.0000 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C58 1.517(3) . ?
C56 C57 1.535(3) . ?
C56 H56 1.0000 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.533(3) . ?
C59 C61 1.540(2) . ?
C59 H59 1.0000 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C67 1.415(2) . ?
C62 C63 1.418(2) . ?
C63 C64 1.392(2) . ?
C63 C68 1.521(2) . ?
C64 C65 1.392(2) . ?
C64 H64 0.9500 . ?
C65 C66 1.386(2) . ?
C65 C71 1.522(2) . ?
C66 C67 1.399(2) . ?
C66 H66 0.9500 . ?
C67 C74 1.519(2) . ?
C68 C70 1.524(3) . ?
C68 C69 1.535(3) . ?
C68 H68 1.0000 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C73 1.518(3) . ?
C71 C72 1.522(4) . ?
C71 H71 1.0000 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 C76 1.531(2) . ?
C74 C75 1.532(2) . ?
C74 H74 1.0000 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 C82 1.487(2) . ?
C78 C79 1.520(3) . ?
C78 C81 1.523(2) . ?
C78 C80 1.524(3) . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 C83 1.388(2) . ?
C82 C87 1.389(3) . ?
C83 C84 1.391(3) . ?
C83 H83 0.9500 . ?
C84 C85 1.371(4) . ?
C84 H84 0.9500 . ?
C85 C86 1.377(4) . ?
C85 H85 0.9500 . ?
C86 C87 1.399(3) . ?
C86 H86 0.9500 . ?
C87 H87 0.9500 . ?
C88 C90B 1.422(8) . ?
C88 C91A 1.491(4) . ?
C88 C89A 1.500(3) . ?
C88 C91B 1.556(8) . ?
C88 C90A 1.563(3) . ?
C88 C89B 1.669(8) . ?
C89A H89A 0.9800 . ?
C89A H89B 0.9800 . ?
C89A H89C 0.9800 . ?
C90A H90A 0.9800 . ?
C90A H90B 0.9800 . ?
C90A H90C 0.9800 . ?
C91A H91A 0.9800 . ?
C91A H91B 0.9800 . ?
C91A H91C 0.9800 . ?
C89B H89D 0.9800 . ?
C89B H89E 0.9800 . ?
C89B H89F 0.9800 . ?
C90B H90D 0.9800 . ?
C90B H90E 0.9800 . ?
C90B H90F 0.9800 . ?
C91B H91D 0.9800 . ?
C91B H91E 0.9800 . ?
C91B H91F 0.9800 . ?
C92 C93 1.512(4) . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.536(3) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C94 1.506(5) 3_565 ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C1_1 C2_1 1.205(10) . ?
C1_1 C3_1 1.998(12) . ?
C1_1 H1A_1 0.9800 . ?
C1_1 H1B_1 0.9800 . ?
C1_1 H1C_1 0.9800 . ?
C2_1 C3_1 1.381(10) . ?
C2_1 H2A_1 0.9900 . ?
C2_1 H2B_1 0.9900 . ?
C3_1 C4_1 1.188(9) . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3B_1 0.9900 . ?
C4_1 C5_1 1.202(10) . ?
C4_1 H4A_1 0.9900 . ?
C4_1 H4B_1 0.9900 . ?
C5_1 C6_1 1.225(10) . ?
C5_1 H5A_1 0.9900 . ?
C5_1 H5B_1 0.9900 . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 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
C62 Si6 Si3 133.12(5) . . ?
C62 Si6 Si1 121.85(5) . . ?
Si3 Si6 Si1 71.278(18) . . ?
C62 Si6 Si5 131.62(5) . . ?
Si3 Si6 Si5 88.584(19) . . ?
Si1 Si6 Si5 90.516(19) . . ?
Si6 Si3 Si2 102.06(2) . . ?
Si6 Si3 Si4 80.336(18) . . ?
Si2 Si3 Si4 85.154(19) . . ?
Si6 Si3 Si1 54.773(16) . . ?
Si2 Si3 Si1 54.849(16) . . ?
Si4 Si3 Si1 54.858(15) . . ?
Si6 Si1 Si2 101.17(2) . . ?
Si6 Si1 Si4 80.051(18) . . ?
Si2 Si1 Si4 85.242(19) . . ?
Si6 Si1 Si3 53.950(15) . . ?
Si2 Si1 Si3 54.649(16) . . ?
Si4 Si1 Si3 55.194(15) . . ?
O1 Si7 C1 118.22(6) . . ?
O1 Si7 N2 108.28(6) . . ?
C1 Si7 N2 121.27(6) . . ?
O1 Si7 N1 99.99(6) . . ?
C1 Si7 N1 128.25(7) . . ?
N2 Si7 N1 71.06(6) . . ?
O1 Si7 C77 105.81(6) . . ?
C1 Si7 C77 135.97(6) . . ?
N2 Si7 C77 35.83(6) . . ?
N1 Si7 C77 35.29(6) . . ?
C32 Si5 C47 104.55(7) . . ?
C32 Si5 Si4 110.52(5) . . ?
C47 Si5 Si4 130.87(5) . . ?
C32 Si5 Si6 125.54(6) . . ?
C47 Si5 Si6 108.16(5) . . ?
Si4 Si5 Si6 77.852(18) . . ?
C1 Si4 Si1 120.30(5) . . ?
C1 Si4 Si3 115.81(5) . . ?
Si1 Si4 Si3 69.948(17) . . ?
C1 Si4 Si5 146.02(5) . . ?
Si1 Si4 Si5 90.055(19) . . ?
Si3 Si4 Si5 87.368(19) . . ?
O1 Si2 C17 110.14(6) . . ?
O1 Si2 Si3 112.03(4) . . ?
C17 Si2 Si3 119.97(5) . . ?
O1 Si2 Si1 106.02(4) . . ?
C17 Si2 Si1 132.55(5) . . ?
Si3 Si2 Si1 70.502(18) . . ?
Si7 O1 Si2 134.83(7) . . ?
C77 N1 C78 130.72(14) . . ?
C77 N1 Si7 90.46(10) . . ?
C78 N1 Si7 137.20(11) . . ?
C77 N2 C88 130.08(13) . . ?
C77 N2 Si7 91.62(10) . . ?
C88 N2 Si7 138.30(11) . . ?
C2 C1 Si7 122.19(10) . . ?
C2 C1 Si4 125.70(11) . . ?
Si7 C1 Si4 111.49(8) . . ?
C7 C2 C3 117.60(13) . . ?
C7 C2 C1 120.79(14) . . ?
C3 C2 C1 121.58(13) . . ?
C4 C3 C2 119.61(15) . . ?
C4 C3 C8 117.81(15) . . ?
C2 C3 C8 122.58(13) . . ?
C5 C4 C3 122.92(16) . . ?
C5 C4 H4 118.5 . . ?
C3 C4 H4 118.5 . . ?
C4 C5 C6 117.32(15) . . ?
C4 C5 C11 119.86(18) . . ?
C6 C5 C11 122.78(17) . . ?
C5 C6 C7 122.29(16) . . ?
C5 C6 H6 118.9 . . ?
C7 C6 H6 118.9 . . ?
C6 C7 C2 119.96(15) . . ?
C6 C7 C14 119.10(14) . . ?
C2 C7 C14 120.80(13) . . ?
C9 C8 C3 113.30(15) . . ?
C9 C8 C10 109.63(18) . . ?
C3 C8 C10 113.45(16) . . ?
C9 C8 H8 106.7 . . ?
C3 C8 H8 106.7 . . ?
C10 C8 H8 106.7 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C13 114.0(3) . . ?
C12 C11 C5 112.1(2) . . ?
C13 C11 C5 110.4(2) . . ?
C12 C11 H11 106.6 . . ?
C13 C11 H11 106.6 . . ?
C5 C11 H11 106.6 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C14 C7 109.49(15) . . ?
C16 C14 C15 110.40(15) . . ?
C7 C14 C15 114.63(14) . . ?
C16 C14 H14 107.3 . . ?
C7 C14 H14 107.3 . . ?
C15 C14 H14 107.3 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C22 118.92(14) . . ?
C18 C17 Si2 117.30(12) . . ?
C22 C17 Si2 122.98(12) . . ?
C19 C18 C17 119.73(15) . . ?
C19 C18 C23 118.24(15) . . ?
C17 C18 C23 122.02(14) . . ?
C20 C19 C18 121.72(17) . . ?
C20 C19 H19 119.1 . . ?
C18 C19 H19 119.1 . . ?
C21 C20 C19 118.12(16) . . ?
C21 C20 C26 122.79(19) . . ?
C19 C20 C26 118.99(19) . . ?
C20 C21 C22 122.25(17) . . ?
C20 C21 H21 118.9 . . ?
C22 C21 H21 118.9 . . ?
C21 C22 C17 119.20(16) . . ?
C21 C22 C29 118.63(16) . . ?
C17 C22 C29 122.14(15) . . ?
C18 C23 C25 111.04(16) . . ?
C18 C23 C24 112.15(16) . . ?
C25 C23 C24 112.5(2) . . ?
C18 C23 H23 106.9 . . ?
C25 C23 H23 106.9 . . ?
C24 C23 H23 106.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C20 C26 C28A 117.0(6) . . ?
C20 C26 C27B 109.7(4) . . ?
C20 C26 C28B 109.8(4) . . ?
C27B C26 C28B 109.2(5) . . ?
C20 C26 C27A 108.1(5) . . ?
C28A C26 C27A 113.5(6) . . ?
C20 C26 H26A 105.8 . . ?
C28A C26 H26A 105.8 . . ?
C27A C26 H26A 105.8 . . ?
C20 C26 H26B 109.4 . . ?
C27B C26 H26B 109.4 . . ?
C28B C26 H26B 109.4 . . ?
C26 C27A H27A 109.5 . . ?
C26 C27A H27B 109.5 . . ?
H27A C27A H27B 109.5 . . ?
C26 C27A H27C 109.5 . . ?
H27A C27A H27C 109.5 . . ?
H27B C27A H27C 109.5 . . ?
C26 C28A H28A 109.5 . . ?
C26 C28A H28B 109.5 . . ?
H28A C28A H28B 109.5 . . ?
C26 C28A H28C 109.5 . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
C26 C27B H27D 109.5 . . ?
C26 C27B H27E 109.5 . . ?
H27D C27B H27E 109.5 . . ?
C26 C27B H27F 109.5 . . ?
H27D C27B H27F 109.5 . . ?
H27E C27B H27F 109.5 . . ?
C26 C28B H28D 109.5 . . ?
C26 C28B H28E 109.5 . . ?
H28D C28B H28E 109.5 . . ?
C26 C28B H28F 109.5 . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 109.5 . . ?
C31 C29 C22 110.7(2) . . ?
C31 C29 C30 110.61(19) . . ?
C22 C29 C30 112.91(17) . . ?
C31 C29 H29 107.4 . . ?
C22 C29 H29 107.4 . . ?
C30 C29 H29 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 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C37 C32 C33 117.67(15) . . ?
C37 C32 Si5 115.96(13) . . ?
C33 C32 Si5 126.22(13) . . ?
C34 C33 C32 119.51(19) . . ?
C34 C33 C38 116.53(17) . . ?
C32 C33 C38 123.95(15) . . ?
C35 C34 C33 122.7(2) . . ?
C35 C34 H34 118.6 . . ?
C33 C34 H34 118.6 . . ?
C36 C35 C34 117.73(18) . . ?
C36 C35 C41B 130.2(3) . . ?
C34 C35 C41B 112.0(3) . . ?
C36 C35 C41A 109.0(3) . . ?
C34 C35 C41A 132.6(3) . . ?
C35 C36 C37 122.3(2) . . ?
C35 C36 H36 118.9 . . ?
C37 C36 H36 118.9 . . ?
C36 C37 C32 119.95(18) . . ?
C36 C37 C44 116.63(17) . . ?
C32 C37 C44 123.41(15) . . ?
C33 C38 C39 111.40(16) . . ?
C33 C38 C40 113.29(17) . . ?
C39 C38 C40 109.26(16) . . ?
C33 C38 H38 107.5 . . ?
C39 C38 H38 107.5 . . ?
C40 C38 H38 107.5 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C43A C41A C42A 110.0(9) . . ?
C43A C41A C35 102.1(5) . . ?
C42A C41A C35 110.9(4) . . ?
C43A C41A H41A 111.2 . . ?
C42A C41A H41A 111.2 . . ?
C35 C41A H41A 111.2 . . ?
C41A C42A H42A 109.5 . . ?
C41A C42A H42B 109.5 . . ?
H42A C42A H42B 109.5 . . ?
C41A C42A H42C 109.5 . . ?
H42A C42A H42C 109.5 . . ?
H42B C42A H42C 109.5 . . ?
C41A C43A H43A 109.5 . . ?
C41A C43A H43B 109.5 . . ?
H43A C43A H43B 109.5 . . ?
C41A C43A H43C 109.5 . . ?
H43A C43A H43C 109.5 . . ?
H43B C43A H43C 109.5 . . ?
C43B C41B C42B 111.6(6) . . ?
C43B C41B C35 111.3(4) . . ?
C42B C41B C35 103.6(4) . . ?
C43B C41B H41B 110.0 . . ?
C42B C41B H41B 110.0 . . ?
C35 C41B H41B 110.0 . . ?
C41B C42B H42D 109.5 . . ?
C41B C42B H42E 109.5 . . ?
H42D C42B H42E 109.5 . . ?
C41B C42B H42F 109.5 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 109.5 . . ?
C41B C43B H43D 109.5 . . ?
C41B C43B H43E 109.5 . . ?
H43D C43B H43E 109.5 . . ?
C41B C43B H43F 109.5 . . ?
H43D C43B H43F 109.5 . . ?
H43E C43B H43F 109.5 . . ?
C37 C44 C45 111.15(16) . . ?
C37 C44 C46 111.81(16) . . ?
C45 C44 C46 110.11(15) . . ?
C37 C44 H44 107.9 . . ?
C45 C44 H44 107.9 . . ?
C46 C44 H44 107.9 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C52 C47 C48 117.28(14) . . ?
C52 C47 Si5 125.83(11) . . ?
C48 C47 Si5 116.88(11) . . ?
C49 C48 C47 120.56(15) . . ?
C49 C48 C53 115.73(14) . . ?
C47 C48 C53 123.70(14) . . ?
C50 C49 C48 122.29(15) . . ?
C50 C49 H49 118.9 . . ?
C48 C49 H49 118.9 . . ?
C49 C50 C51 117.36(15) . . ?
C49 C50 C56 122.41(16) . . ?
C51 C50 C56 120.10(16) . . ?
C50 C51 C52 122.48(16) . . ?
C50 C51 H51 118.8 . . ?
C52 C51 H51 118.8 . . ?
C51 C52 C47 119.96(14) . . ?
C51 C52 C59 116.78(14) . . ?
C47 C52 C59 123.24(13) . . ?
C48 C53 C55 110.10(14) . . ?
C48 C53 C54 112.48(14) . . ?
C55 C53 C54 110.42(14) . . ?
C48 C53 H53 107.9 . . ?
C55 C53 H53 107.9 . . ?
C54 C53 H53 107.9 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C58 C56 C50 114.00(18) . . ?
C58 C56 C57 109.99(19) . . ?
C50 C56 C57 109.55(16) . . ?
C58 C56 H56 107.7 . . ?
C50 C56 H56 107.7 . . ?
C57 C56 H56 107.7 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C52 C59 C60 110.62(14) . . ?
C52 C59 C61 112.28(14) . . ?
C60 C59 C61 110.25(14) . . ?
C52 C59 H59 107.8 . . ?
C60 C59 H59 107.8 . . ?
C61 C59 H59 107.8 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C67 C62 C63 118.56(13) . . ?
C67 C62 Si6 119.18(10) . . ?
C63 C62 Si6 122.24(11) . . ?
C64 C63 C62 119.55(14) . . ?
C64 C63 C68 118.24(14) . . ?
C62 C63 C68 122.12(13) . . ?
C65 C64 C63 122.19(15) . . ?
C65 C64 H64 118.9 . . ?
C63 C64 H64 118.9 . . ?
C66 C65 C64 118.07(14) . . ?
C66 C65 C71 122.96(15) . . ?
C64 C65 C71 118.97(15) . . ?
C65 C66 C67 121.92(15) . . ?
C65 C66 H66 119.0 . . ?
C67 C66 H66 119.0 . . ?
C66 C67 C62 119.70(13) . . ?
C66 C67 C74 117.34(13) . . ?
C62 C67 C74 122.90(12) . . ?
C63 C68 C70 110.15(16) . . ?
C63 C68 C69 113.37(16) . . ?
C70 C68 C69 110.94(17) . . ?
C63 C68 H68 107.4 . . ?
C70 C68 H68 107.4 . . ?
C69 C68 H68 107.4 . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C68 C70 H70A 109.5 . . ?
C68 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C68 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C73 C71 C65 113.90(15) . . ?
C73 C71 C72 109.74(19) . . ?
C65 C71 C72 110.32(17) . . ?
C73 C71 H71 107.5 . . ?
C65 C71 H71 107.5 . . ?
C72 C71 H71 107.5 . . ?
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 . . ?
C71 C73 H73A 109.5 . . ?
C71 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C71 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C67 C74 C76 113.51(13) . . ?
C67 C74 C75 110.20(13) . . ?
C76 C74 C75 109.79(13) . . ?
C67 C74 H74 107.7 . . ?
C76 C74 H74 107.7 . . ?
C75 C74 H74 107.7 . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C74 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C74 C76 H76A 109.5 . . ?
C74 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C74 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N1 C77 N2 106.69(13) . . ?
N1 C77 C82 127.12(14) . . ?
N2 C77 C82 126.19(14) . . ?
N1 C77 Si7 54.25(8) . . ?
N2 C77 Si7 52.55(7) . . ?
C82 C77 Si7 176.77(12) . . ?
N1 C78 C79 105.84(14) . . ?
N1 C78 C81 112.78(14) . . ?
C79 C78 C81 108.62(16) . . ?
N1 C78 C80 108.74(15) . . ?
C79 C78 C80 110.07(17) . . ?
C81 C78 C80 110.67(18) . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C78 C80 H80A 109.5 . . ?
C78 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C78 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C78 C81 H81A 109.5 . . ?
C78 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C78 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C83 C82 C87 119.69(17) . . ?
C83 C82 C77 120.05(16) . . ?
C87 C82 C77 120.26(16) . . ?
C82 C83 C84 120.2(2) . . ?
C82 C83 H83 119.9 . . ?
C84 C83 H83 119.9 . . ?
C85 C84 C83 120.2(2) . . ?
C85 C84 H84 119.9 . . ?
C83 C84 H84 119.9 . . ?
C84 C85 C86 120.0(2) . . ?
C84 C85 H85 120.0 . . ?
C86 C85 H85 120.0 . . ?
C85 C86 C87 120.7(2) . . ?
C85 C86 H86 119.7 . . ?
C87 C86 H86 119.7 . . ?
C82 C87 C86 119.2(2) . . ?
C82 C87 H87 120.4 . . ?
C86 C87 H87 120.4 . . ?
C90B C88 N2 113.9(3) . . ?
N2 C88 C91A 111.61(18) . . ?
N2 C88 C89A 106.10(15) . . ?
C91A C88 C89A 112.1(2) . . ?
C90B C88 C91B 114.2(5) . . ?
N2 C88 C91B 116.2(3) . . ?
N2 C88 C90A 108.63(16) . . ?
C91A C88 C90A 110.4(2) . . ?
C89A C88 C90A 107.7(2) . . ?
C90B C88 C89B 108.1(5) . . ?
N2 C88 C89B 102.5(3) . . ?
C91B C88 C89B 99.7(5) . . ?
C88 C89A H89A 109.5 . . ?
C88 C89A H89B 109.5 . . ?
H89A C89A H89B 109.5 . . ?
C88 C89A H89C 109.5 . . ?
H89A C89A H89C 109.5 . . ?
H89B C89A H89C 109.5 . . ?
C88 C90A H90A 109.5 . . ?
C88 C90A H90B 109.5 . . ?
H90A C90A H90B 109.5 . . ?
C88 C90A H90C 109.5 . . ?
H90A C90A H90C 109.5 . . ?
H90B C90A H90C 109.5 . . ?
C88 C91A H91A 109.5 . . ?
C88 C91A H91B 109.5 . . ?
H91A C91A H91B 109.5 . . ?
C88 C91A H91C 109.5 . . ?
H91A C91A H91C 109.5 . . ?
H91B C91A H91C 109.5 . . ?
C88 C89B H89D 109.5 . . ?
C88 C89B H89E 109.5 . . ?
H89D C89B H89E 109.5 . . ?
C88 C89B H89F 109.5 . . ?
H89D C89B H89F 109.5 . . ?
H89E C89B H89F 109.5 . . ?
C88 C90B H90D 109.5 . . ?
C88 C90B H90E 109.5 . . ?
H90D C90B H90E 109.5 . . ?
C88 C90B H90F 109.5 . . ?
H90D C90B H90F 109.5 . . ?
H90E C90B H90F 109.5 . . ?
C88 C91B H91D 109.5 . . ?
C88 C91B H91E 109.5 . . ?
H91D C91B H91E 109.5 . . ?
C88 C91B H91F 109.5 . . ?
H91D C91B H91F 109.5 . . ?
H91E C91B H91F 109.5 . . ?
C93 C92 H92A 109.5 . . ?
C93 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C93 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C92 C93 C94 113.0(2) . . ?
C92 C93 H93A 109.0 . . ?
C94 C93 H93A 109.0 . . ?
C92 C93 H93B 109.0 . . ?
C94 C93 H93B 109.0 . . ?
H93A C93 H93B 107.8 . . ?
C94 C94 C93 113.9(3) 3_565 . ?
C94 C94 H94A 108.8 3_565 . ?
C93 C94 H94A 108.8 . . ?
C94 C94 H94B 108.8 3_565 . ?
C93 C94 H94B 108.8 . . ?
H94A C94 H94B 107.7 . . ?
C2_1 C1_1 C3_1 42.7(5) . . ?
C2_1 C1_1 H1A_1 109.5 . . ?
C3_1 C1_1 H1A_1 152.2 . . ?
C2_1 C1_1 H1B_1 109.5 . . ?
C3_1 C1_1 H1B_1 85.7 . . ?
H1A_1 C1_1 H1B_1 109.5 . . ?
C2_1 C1_1 H1C_1 109.5 . . ?
C3_1 C1_1 H1C_1 85.7 . . ?
H1A_1 C1_1 H1C_1 109.5 . . ?
H1B_1 C1_1 H1C_1 109.5 . . ?
C1_1 C2_1 C3_1 101.0(8) . . ?
C1_1 C2_1 H2A_1 111.6 . . ?
C3_1 C2_1 H2A_1 111.6 . . ?
C1_1 C2_1 H2B_1 111.6 . . ?
C3_1 C2_1 H2B_1 111.6 . . ?
H2A_1 C2_1 H2B_1 109.4 . . ?
C4_1 C3_1 C2_1 110.3(9) . . ?
C4_1 C3_1 C1_1 146.0(8) . . ?
C2_1 C3_1 C1_1 36.3(5) . . ?
C4_1 C3_1 H3A_1 109.6 . . ?
C2_1 C3_1 H3A_1 109.6 . . ?
C1_1 C3_1 H3A_1 85.5 . . ?
C4_1 C3_1 H3B_1 109.6 . . ?
C2_1 C3_1 H3B_1 109.6 . . ?
C1_1 C3_1 H3B_1 93.1 . . ?
H3A_1 C3_1 H3B_1 108.1 . . ?
C3_1 C4_1 C5_1 129.2(12) . . ?
C3_1 C4_1 H4A_1 105.0 . . ?
C5_1 C4_1 H4A_1 105.0 . . ?
C3_1 C4_1 H4B_1 105.0 . . ?
C5_1 C4_1 H4B_1 105.0 . . ?
H4A_1 C4_1 H4B_1 105.8 . . ?
C4_1 C5_1 C6_1 160.1(17) . . ?
C4_1 C5_1 H5A_1 96.1 . . ?
C6_1 C5_1 H5A_1 96.1 . . ?
C4_1 C5_1 H5B_1 96.1 . . ?
C6_1 C5_1 H5B_1 96.1 . . ?
H5A_1 C5_1 H5B_1 103.4 . . ?
C5_1 C6_1 H6A_1 109.5 . . ?
C5_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 109.5 . . ?
C5_1 C6_1 H6C_1 109.5 . . ?
H6A_1 C6_1 H6C_1 109.5 . . ?
H6B_1 C6_1 H6C_1 109.5 . . ?

_refine_diff_density_max         1.489
_refine_diff_density_min         -0.380
_refine_diff_density_rms         0.071



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