# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_cu_zqc33s_0m_a
_audit_block_doi                 10.5517/ccdc.csd.cc1nlvjm
_database_code_depnum_ccdc_archive 'CCDC 1537461'
_audit_update_record             
;
2017-03-12 deposited with the CCDC.
2017-06-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C364 H450 N24 O10 Si20'
_chemical_formula_weight         5883.25

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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                   20.1652(5)
_cell_length_b                   21.0142(5)
_cell_length_c                   21.8327(6)
_cell_angle_alpha                70.114(2)
_cell_angle_beta                 89.128(2)
_cell_angle_gamma                89.198(2)
_cell_volume                     8698.7(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    4715
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      65.20

_exptl_crystal_description       needle
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.123
_exptl_crystal_F_000             3162
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.145
_shelx_estimated_absorpt_T_min   0.914
_shelx_estimated_absorpt_T_max   0.977
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\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            63252
_diffrn_reflns_av_unetI/netI     0.3148
_diffrn_reflns_av_R_equivalents  0.2658
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.152
_diffrn_reflns_theta_max         66.729
_diffrn_reflns_theta_full        66.729
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.973
_reflns_number_total             29982
_reflns_number_gt                10286
_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 APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_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)+(0.1048P)²] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.00021(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         29982
_refine_ls_number_parameters     2447
_refine_ls_number_restraints     2269
_refine_ls_R_factor_all          0.2578
_refine_ls_R_factor_gt           0.1019
_refine_ls_wR_factor_ref         0.3240
_refine_ls_wR_factor_gt          0.2314
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_restrained_S_all      0.913
_refine_ls_shift/su_max          0.187
_refine_ls_shift/su_mean         0.001

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
C1 C 0.3926(2) 0.3143(2) 1.16501(19) 0.0446(13) Uani 1 1 d . . . . .
H1 H 0.4248 0.2871 1.1531 0.054 Uiso 1 1 calc R U . . .
C2 C 0.3615(2) 0.2904(2) 1.2234(2) 0.0498(14) Uani 1 1 d . . . . .
H2 H 0.3721 0.2465 1.2525 0.060 Uiso 1 1 calc R U . . .
C3 C 0.3130(2) 0.3306(2) 1.2415(2) 0.0585(16) Uani 1 1 d . . . . .
H3 H 0.2912 0.3126 1.2826 0.070 Uiso 1 1 calc R U . . .
C4 C 0.2969(2) 0.3936(2) 1.2018(2) 0.0494(14) Uani 1 1 d . . . . .
H4 H 0.2644 0.4194 1.2153 0.059 Uiso 1 1 calc R U . . .
C5 C 0.3289(2) 0.4218(2) 1.13928(19) 0.0417(12) Uani 1 1 d . . . . .
C6 C 0.37711(19) 0.38056(18) 1.12107(19) 0.0344(11) Uani 1 1 d . . . . .
C7 C 0.3925(2) 0.46566(19) 1.02349(19) 0.0355(11) Uani 1 1 d . . . . .
C8 C 0.34451(19) 0.50786(18) 1.04159(18) 0.0327(10) Uani 1 1 d . . . . .
C9 C 0.32955(18) 0.57284(17) 0.99973(18) 0.0296(10) Uani 1 1 d . . . . .
C10 C 0.2802(2) 0.61362(18) 1.01723(18) 0.0358(11) Uani 1 1 d . . . . .
C11 C 0.2385(2) 0.64899(18) 1.03199(19) 0.0372(11) Uani 1 1 d . . . . .
C12 C 0.1302(2) 0.6539(2) 1.1264(2) 0.0472(13) Uani 1 1 d . . . . .
H12 H 0.0943 0.6837 1.1340 0.057 Uiso 1 1 calc R U . . .
C13 C 0.1747(3) 0.6327(3) 1.1869(2) 0.079(2) Uani 1 1 d . . . . .
H13A H 0.1484 0.6078 1.2255 0.119 Uiso 1 1 calc R U . . .
H13B H 0.1932 0.6731 1.1928 0.119 Uiso 1 1 calc R U . . .
H13C H 0.2110 0.6037 1.1810 0.119 Uiso 1 1 calc R U . . .
C14 C 0.0969(3) 0.5912(2) 1.1212(3) 0.0692(18) Uani 1 1 d . . . . .
H14A H 0.1308 0.5598 1.1154 0.104 Uiso 1 1 calc R U . . .
H14B H 0.0671 0.6045 1.0838 0.104 Uiso 1 1 calc R U . . .
H14C H 0.0713 0.5689 1.1611 0.104 Uiso 1 1 calc R U . . .
C15 C 0.2188(2) 0.7750(2) 1.0607(2) 0.0499(14) Uani 1 1 d . . . . .
H15 H 0.2497 0.7546 1.0978 0.060 Uiso 1 1 calc R U . . .
C16 C 0.2627(2) 0.8161(2) 1.0024(3) 0.0703(18) Uani 1 1 d . . . . .
H16A H 0.2346 0.8386 0.9648 0.105 Uiso 1 1 calc R U . . .
H16B H 0.2940 0.7855 0.9912 0.105 Uiso 1 1 calc R U . . .
H16C H 0.2873 0.8501 1.0140 0.105 Uiso 1 1 calc R U . . .
C17 C 0.1725(3) 0.8245(2) 1.0814(3) 0.0713(16) Uani 1 1 d . . . . .
H17A H 0.1985 0.8625 1.0840 0.107 Uiso 1 1 calc R U . . .
H17B H 0.1524 0.8004 1.1240 0.107 Uiso 1 1 calc R U . . .
H17C H 0.1374 0.8415 1.0491 0.107 Uiso 1 1 calc R U . . .
C18 C 0.1131(2) 0.7242(2) 0.98098(19) 0.0392(12) Uani 1 1 d . . . . .
H18 H 0.0963 0.6800 0.9801 0.047 Uiso 1 1 calc R U . . .
C19 C 0.0521(2) 0.7638(2) 0.9910(2) 0.0604(16) Uani 1 1 d . . . . .
H19A H 0.0657 0.8084 0.9910 0.091 Uiso 1 1 calc R U . . .
H19B H 0.0308 0.7391 1.0329 0.091 Uiso 1 1 calc R U . . .
H19C H 0.0207 0.7694 0.9557 0.091 Uiso 1 1 calc R U . . .
C20 C 0.1443(2) 0.7601(2) 0.9135(2) 0.0509(14) Uani 1 1 d . . . . .
H20A H 0.1107 0.7667 0.8799 0.076 Uiso 1 1 calc R U . . .
H20B H 0.1808 0.7323 0.9059 0.076 Uiso 1 1 calc R U . . .
H20C H 0.1614 0.8042 0.9117 0.076 Uiso 1 1 calc R U . . .
C21 C 0.36110(19) 0.59762(17) 0.93828(18) 0.0311(10) Uani 1 1 d . . . . .
C22 C 0.40916(19) 0.55591(17) 0.91998(17) 0.0286(10) Uani 1 1 d . . . . .
C23 C 0.42260(19) 0.49006(18) 0.96061(18) 0.0307(10) Uani 1 1 d . . . . .
C24 C 0.4629(2) 0.4453(2) 0.93897(19) 0.0373(11) Uani 1 1 d . . . . .
C25 C 0.4905(2) 0.40540(18) 0.91900(19) 0.0453(13) Uani 1 1 d D . . . .
C35 C 0.42620(19) 0.64217(18) 0.82210(18) 0.0318(10) Uani 1 1 d . . . . .
C35P C 0.37731(18) 0.68336(17) 0.84041(17) 0.0282(10) Uani 1 1 d . . . . .
C36 C 0.36368(19) 0.75149(18) 0.79679(18) 0.0316(11) Uani 1 1 d . . . . .
C37 C 0.3115(2) 0.79079(19) 0.8112(2) 0.0432(13) Uani 1 1 d . . . . .
H37 H 0.2857 0.7724 0.8498 0.052 Uiso 1 1 calc R U . . .
C38 C 0.2983(2) 0.8557(2) 0.7691(2) 0.0435(13) Uani 1 1 d . . . . .
C39 C 0.2418(2) 0.8936(2) 0.7777(2) 0.0483(14) Uani 1 1 d . . . . .
C40 C 0.1927(2) 0.9272(2) 0.7800(2) 0.0527(15) Uani 1 1 d . . . . .
C41 C 0.1138(2) 1.0128(2) 0.8428(2) 0.0452(13) Uani 1 1 d . . . . .
H41 H 0.0699 1.0357 0.8422 0.054 Uiso 1 1 calc R U . . .
C42 C 0.1670(3) 1.0652(2) 0.8320(3) 0.0734(19) Uani 1 1 d . . . . .
H42A H 0.1640 1.0855 0.8663 0.110 Uiso 1 1 calc R U . . .
H42B H 0.1610 1.1004 0.7894 0.110 Uiso 1 1 calc R U . . .
H42C H 0.2107 1.0437 0.8333 0.110 Uiso 1 1 calc R U . . .
C43 C 0.1209(3) 0.9582(3) 0.9083(2) 0.0657(16) Uani 1 1 d . . . . .
H43A H 0.1616 0.9320 0.9087 0.099 Uiso 1 1 calc R U . . .
H43B H 0.0826 0.9281 0.9167 0.099 Uiso 1 1 calc R U . . .
H43C H 0.1231 0.9788 0.9423 0.099 Uiso 1 1 calc R U . . .
C44 C 0.0467(2) 0.9113(2) 0.7891(2) 0.0569(14) Uani 1 1 d . . . . .
H44 H 0.0514 0.8801 0.8351 0.068 Uiso 1 1 calc R U . . .
C45 C -0.0225(2) 0.9438(3) 0.7845(3) 0.0721(18) Uani 1 1 d . . . . .
H45A H -0.0309 0.9722 0.7394 0.108 Uiso 1 1 calc R U . . .
H45B H -0.0248 0.9716 0.8126 0.108 Uiso 1 1 calc R U . . .
H45C H -0.0560 0.9082 0.7988 0.108 Uiso 1 1 calc R U . . .
C46 C 0.0509(3) 0.8661(2) 0.7458(3) 0.0866(19) Uani 1 1 d . . . . .
H46A H 0.0152 0.8329 0.7581 0.130 Uiso 1 1 calc R U . . .
H46B H 0.0939 0.8426 0.7520 0.130 Uiso 1 1 calc R U . . .
H46C H 0.0463 0.8945 0.7000 0.130 Uiso 1 1 calc R U . . .
C47 C 0.1160(3) 1.0461(3) 0.6951(2) 0.0665(17) Uani 1 1 d . . . . .
H47 H 0.1590 1.0698 0.6941 0.080 Uiso 1 1 calc R U . . .
C48 C 0.1177(4) 1.0256(3) 0.6359(3) 0.110(3) Uani 1 1 d . . . . .
H48A H 0.0734 1.0113 0.6284 0.165 Uiso 1 1 calc R U . . .
H48B H 0.1492 0.9879 0.6425 0.165 Uiso 1 1 calc R U . . .
H48C H 0.1317 1.0640 0.5981 0.165 Uiso 1 1 calc R U . . .
C49 C 0.0618(3) 1.1009(3) 0.6867(3) 0.082(2) Uani 1 1 d . . . . .
H49A H 0.0675 1.1366 0.6443 0.122 Uiso 1 1 calc R U . . .
H49B H 0.0655 1.1203 0.7214 0.122 Uiso 1 1 calc R U . . .
H49C H 0.0180 1.0805 0.6891 0.122 Uiso 1 1 calc R U . . .
C50 C 0.3389(2) 0.8836(2) 0.7134(2) 0.0435(13) Uani 1 1 d . . . . .
H50 H 0.3304 0.9282 0.6847 0.052 Uiso 1 1 calc R U . . .
C51 C 0.3913(2) 0.84635(18) 0.7004(2) 0.0359(11) Uani 1 1 d . . . . .
C52 C 0.4011(2) 0.77951(18) 0.73941(19) 0.0343(11) Uani 1 1 d . . . . .
C53 C 0.45090(19) 0.73734(17) 0.71941(18) 0.0319(10) Uani 1 1 d . . . . .
C54 C 0.48636(18) 0.76434(18) 0.66091(18) 0.0297(10) Uani 1 1 d . . . . .
C55 C 0.47808(19) 0.83590(18) 0.6222(2) 0.0352(11) Uani 1 1 d . . . . .
C56 C 0.4332(2) 0.8778(2) 0.64318(19) 0.0357(11) Uani 1 1 d . . . . .
C57 C 0.52885(19) 0.72254(18) 0.64017(19) 0.0334(11) Uani 1 1 d . . . . .
H57 H 0.5525 0.7407 0.6002 0.040 Uiso 1 1 calc R U . . .
C58 C 0.53691(18) 0.65466(18) 0.67734(18) 0.0306(10) Uani 1 1 d . . . . .
C59 C 0.50350(19) 0.62827(18) 0.73766(19) 0.0351(11) Uani 1 1 d . . . . .
H59 H 0.5105 0.5825 0.7643 0.042 Uiso 1 1 calc R U . . .
C60 C 0.46038(18) 0.66910(17) 0.75816(17) 0.0287(10) Uani 1 1 d . . . . .
C61 C 0.5800(2) 0.61181(19) 0.65374(18) 0.0353(11) Uani 1 1 d . . . . .
C62 C 0.6139(2) 0.57683(19) 0.6317(2) 0.0418(12) Uani 1 1 d . . . . .
C63 C 0.6449(2) 0.4377(2) 0.6281(2) 0.0532(14) Uani 1 1 d . . . . .
H63 H 0.6553 0.4265 0.6753 0.064 Uiso 1 1 calc R U . . .
C64 C 0.6891(3) 0.3906(2) 0.6055(3) 0.093(2) Uani 1 1 d . . . . .
H64A H 0.6800 0.3435 0.6323 0.139 Uiso 1 1 calc R U . . .
H64B H 0.7357 0.4006 0.6099 0.139 Uiso 1 1 calc R U . . .
H64C H 0.6800 0.3971 0.5598 0.139 Uiso 1 1 calc R U . . .
C65 C 0.5727(3) 0.4194(3) 0.6273(3) 0.0774(19) Uani 1 1 d . . . . .
H65A H 0.5594 0.4270 0.5824 0.116 Uiso 1 1 calc R U . . .
H65B H 0.5453 0.4476 0.6455 0.116 Uiso 1 1 calc R U . . .
H65C H 0.5667 0.3716 0.6535 0.116 Uiso 1 1 calc R U . . .
C66 C 0.7549(2) 0.5414(2) 0.6013(2) 0.0587(16) Uani 1 1 d . . . . .
H66 H 0.7802 0.5191 0.5743 0.070 Uiso 1 1 calc R U . . .
C67 C 0.7764(3) 0.5070(3) 0.6725(3) 0.093(2) Uani 1 1 d . . . . .
H67A H 0.8230 0.5173 0.6768 0.139 Uiso 1 1 calc R U . . .
H67B H 0.7712 0.4579 0.6849 0.139 Uiso 1 1 calc R U . . .
H67C H 0.7487 0.5239 0.7010 0.139 Uiso 1 1 calc R U . . .
C68 C 0.7738(2) 0.6171(3) 0.5764(3) 0.081(2) Uani 1 1 d . . . . .
H68A H 0.7541 0.6394 0.6052 0.122 Uiso 1 1 calc R U . . .
H68B H 0.7571 0.6387 0.5321 0.122 Uiso 1 1 calc R U . . .
H68C H 0.8222 0.6211 0.5760 0.122 Uiso 1 1 calc R U . . .
C69 C 0.6446(2) 0.5683(2) 0.5020(2) 0.0441(12) Uani 1 1 d . . . . .
H69 H 0.6481 0.6183 0.4916 0.053 Uiso 1 1 calc R U . . .
C70 C 0.6954(2) 0.5504(3) 0.4571(2) 0.0716(17) Uani 1 1 d . . . . .
H70A H 0.7010 0.5011 0.4710 0.107 Uiso 1 1 calc R U . . .
H70B H 0.7380 0.5712 0.4594 0.107 Uiso 1 1 calc R U . . .
H70C H 0.6795 0.5674 0.4121 0.107 Uiso 1 1 calc R U . . .
C71 C 0.5764(2) 0.5571(2) 0.4818(2) 0.0644(16) Uani 1 1 d . . . . .
H71A H 0.5704 0.5835 0.4356 0.097 Uiso 1 1 calc R U . . .
H71B H 0.5434 0.5715 0.5079 0.097 Uiso 1 1 calc R U . . .
H71C H 0.5707 0.5090 0.4886 0.097 Uiso 1 1 calc R U . . .
C72 C 0.46565(19) 0.97121(19) 0.55944(19) 0.0348(11) Uani 1 1 d . . . . .
C73 C 0.50455(19) 0.92926(18) 0.53276(18) 0.0325(10) Uani 1 1 d . . . . .
C74 C 0.53776(18) 0.95768(19) 0.47208(18) 0.0318(10) Uani 1 1 d . . . . .
C75 C 0.5716(2) 0.91718(18) 0.44150(19) 0.0361(11) Uani 1 1 d . . . . .
C76 C 0.5970(2) 0.88190(18) 0.41419(19) 0.0429(12) Uani 1 1 d D . . . .
C86 C 0.8852(2) 0.7006(2) 0.3466(2) 0.0476(14) Uani 1 1 d . . . . .
H86 H 0.9102 0.7298 0.3622 0.057 Uiso 1 1 calc R U . . .
C87 C 0.8543(2) 0.7257(2) 0.2882(2) 0.0510(15) Uani 1 1 d . . . . .
H87 H 0.8580 0.7723 0.2631 0.061 Uiso 1 1 calc R U . . .
C88 C 0.8162(2) 0.6826(2) 0.2645(2) 0.0487(14) Uani 1 1 d . . . . .
H88 H 0.7937 0.7015 0.2243 0.058 Uiso 1 1 calc R U . . .
C89 C 0.8113(2) 0.6157(2) 0.2973(2) 0.0433(13) Uani 1 1 d . . . . .
H89 H 0.7872 0.5879 0.2793 0.052 Uiso 1 1 calc R U . . .
C90 C 0.8422(2) 0.58634(19) 0.35941(18) 0.0351(11) Uani 1 1 d . . . . .
C91 C 0.8801(2) 0.63045(18) 0.3846(2) 0.0375(11) Uani 1 1 d . . . . .
C92 C 0.90144(19) 0.54024(17) 0.47717(18) 0.0318(10) Uani 1 1 d . . . . .
C93 C 0.86475(19) 0.49655(17) 0.45156(17) 0.0303(10) Uani 1 1 d . . . . .
C94 C 0.85461(19) 0.42744(17) 0.48823(17) 0.0319(10) Uani 1 1 d . . . . .
C95 C 0.8118(2) 0.38729(18) 0.46559(18) 0.0360(11) Uani 1 1 d . . . . .
C96 C 0.7706(2) 0.35676(18) 0.4479(2) 0.0433(12) Uani 1 1 d D . . . .
C106 C 0.88682(18) 0.40011(17) 0.54972(18) 0.0297(10) Uani 1 1 d . . . . .
C107 C 0.92288(19) 0.44464(17) 0.57497(17) 0.0299(10) Uani 1 1 d . . . . .
C108 C 0.92867(18) 0.51298(17) 0.54050(19) 0.0326(10) Uani 1 1 d . . . . .
C109 C 0.9571(2) 0.55820(18) 0.56860(19) 0.0354(11) Uani 1 1 d . . . . .
C110 C 0.9754(2) 0.59835(19) 0.59296(19) 0.0401(12) Uani 1 1 d . . . . .
C111 C 0.9877(3) 0.7471(2) 0.5659(2) 0.0577(15) Uani 1 1 d . . . . .
H111 H 0.9994 0.7819 0.5856 0.069 Uiso 1 1 calc R U . . .
C112 C 0.9193(3) 0.7647(3) 0.5361(3) 0.091(2) Uani 1 1 d . . . . .
H11A H 0.9180 0.8125 0.5083 0.137 Uiso 1 1 calc R U . . .
H11B H 0.8859 0.7569 0.5709 0.137 Uiso 1 1 calc R U . . .
H11C H 0.9099 0.7363 0.5099 0.137 Uiso 1 1 calc R U . . .
C113 C 1.0380(3) 0.7517(3) 0.5115(3) 0.082(2) Uani 1 1 d . . . . .
H11D H 1.0268 0.7188 0.4905 0.123 Uiso 1 1 calc R U . . .
H11E H 1.0826 0.7417 0.5300 0.123 Uiso 1 1 calc R U . . .
H11F H 1.0370 0.7974 0.4793 0.123 Uiso 1 1 calc R U . . .
C114 C 1.0730(2) 0.6449(2) 0.6724(2) 0.0481(13) Uani 1 1 d . . . . .
H114 H 1.1067 0.6632 0.6368 0.058 Uiso 1 1 calc R U . . .
C115 C 1.0828(2) 0.6829(2) 0.7196(2) 0.0692(15) Uani 1 1 d . . . . .
H11G H 1.0503 0.6674 0.7553 0.104 Uiso 1 1 calc R U . . .
H11H H 1.0767 0.7315 0.6967 0.104 Uiso 1 1 calc R U . . .
H11I H 1.1277 0.6742 0.7373 0.104 Uiso 1 1 calc R U . . .
C116 C 1.0891(2) 0.5688(2) 0.7039(2) 0.0629(16) Uani 1 1 d . . . . .
H11J H 1.1360 0.5629 0.7160 0.094 Uiso 1 1 calc R U . . .
H11K H 1.0803 0.5457 0.6727 0.094 Uiso 1 1 calc R U . . .
H11L H 1.0613 0.5495 0.7429 0.094 Uiso 1 1 calc R U . . .
C117 C 0.9196(3) 0.6524(2) 0.6899(2) 0.0596(15) Uani 1 1 d . . . . .
H117 H 0.8790 0.6545 0.6635 0.071 Uiso 1 1 calc R U . . .
C118 C 0.9095(3) 0.7090(3) 0.7205(3) 0.102(2) Uani 1 1 d . . . . .
H11M H 0.8635 0.7089 0.7355 0.152 Uiso 1 1 calc R U . . .
H11N H 0.9195 0.7531 0.6877 0.152 Uiso 1 1 calc R U . . .
H11O H 0.9394 0.7007 0.7575 0.152 Uiso 1 1 calc R U . . .
C119 C 0.9167(3) 0.5835(3) 0.7449(2) 0.076(2) Uani 1 1 d . . . . .
H11P H 0.9543 0.5789 0.7739 0.114 Uiso 1 1 calc R U . . .
H11Q H 0.9186 0.5472 0.7262 0.114 Uiso 1 1 calc R U . . .
H11R H 0.8752 0.5804 0.7696 0.114 Uiso 1 1 calc R U . . .
C120 C 0.94574(17) 0.35434(17) 0.66749(16) 0.0279(9) Uani 1 1 d . . . . .
C121 C 0.90821(18) 0.30965(16) 0.64213(17) 0.0277(10) Uani 1 1 d . . . . .
C122 C 0.90218(18) 0.23873(17) 0.67985(17) 0.0282(10) Uani 1 1 d . . . . .
C123 C 0.87017(19) 0.19449(18) 0.65431(18) 0.0332(10) Uani 1 1 d . . . . .
H123 H 0.8529 0.2115 0.6115 0.040 Uiso 1 1 calc R U . . .
C124 C 0.86341(19) 0.12651(18) 0.69056(18) 0.0338(10) Uani 1 1 d . . . . .
C125 C 0.8359(2) 0.08067(18) 0.66098(18) 0.0388(11) Uani 1 1 d . . . . .
C126 C 0.8152(2) 0.04123(19) 0.63607(19) 0.0526(14) Uani 1 1 d D . . . .
C136 C 0.88758(19) 0.10136(17) 0.75357(17) 0.0319(10) Uani 1 1 d . . . . .
H136 H 0.8813 0.0551 0.7789 0.038 Uiso 1 1 calc R U . . .
C137 C 0.92125(17) 0.14383(16) 0.78009(17) 0.0258(9) Uani 1 1 d . . . . .
C138 C 0.93042(17) 0.21170(16) 0.74317(15) 0.0231(9) Uani 1 1 d . . . . .
C139 C 0.96973(17) 0.25520(17) 0.76751(17) 0.0264(10) Uani 1 1 d . . . . .
C140 C 0.97609(18) 0.32508(17) 0.73117(17) 0.0281(10) Uani 1 1 d . . . . .
C141 C 1.01478(19) 0.36608(17) 0.75577(18) 0.0321(10) Uani 1 1 d . . . . .
H141 H 1.0180 0.4132 0.7322 0.039 Uiso 1 1 calc R U . . .
C142 C 1.04861(18) 0.33794(17) 0.81479(17) 0.0302(10) Uani 1 1 d . . . . .
C143 C 1.08832(19) 0.37783(19) 0.84174(18) 0.0359(11) Uani 1 1 d . . . . .
C144 C 1.1216(2) 0.4076(2) 0.86923(19) 0.0393(11) Uani 1 1 d . . . . .
C145 C 1.1223(2) 0.5420(2) 0.8819(2) 0.0620(14) Uani 1 1 d . . . . .
H145 H 1.1271 0.5559 0.8334 0.074 Uiso 1 1 calc R U . . .
C146 C 1.1587(3) 0.5955(2) 0.9030(3) 0.0991(19) Uani 1 1 d . . . . .
H14D H 1.1431 0.6409 0.8768 0.149 Uiso 1 1 calc R U . . .
H14E H 1.2065 0.5918 0.8964 0.149 Uiso 1 1 calc R U . . .
H14F H 1.1493 0.5877 0.9492 0.149 Uiso 1 1 calc R U . . .
C147 C 1.0479(3) 0.5432(3) 0.8973(3) 0.0837(19) Uani 1 1 d . . . . .
H14G H 1.0416 0.5356 0.9439 0.125 Uiso 1 1 calc R U . . .
H14H H 1.0257 0.5075 0.8862 0.125 Uiso 1 1 calc R U . . .
H14I H 1.0290 0.5873 0.8718 0.125 Uiso 1 1 calc R U . . .
C148 C 1.1369(2) 0.4081(2) 1.0039(2) 0.0535(13) Uani 1 1 d . . . . .
H148 H 1.1691 0.3693 1.0171 0.064 Uiso 1 1 calc R U . . .
C149 C 1.1503(3) 0.4457(3) 1.0505(2) 0.092(2) Uani 1 1 d . . . . .
H14J H 1.1160 0.4804 1.0459 0.138 Uiso 1 1 calc R U . . .
H14K H 1.1938 0.4672 1.0406 0.138 Uiso 1 1 calc R U . . .
H14L H 1.1498 0.4138 1.0953 0.138 Uiso 1 1 calc R U . . .
C150 C 1.0690(3) 0.3737(3) 1.0173(3) 0.083(2) Uani 1 1 d . . . . .
H15A H 1.0652 0.3463 1.0636 0.125 Uiso 1 1 calc R U . . .
H15B H 1.0645 0.3446 0.9908 0.125 Uiso 1 1 calc R U . . .
H15C H 1.0339 0.4084 1.0062 0.125 Uiso 1 1 calc R U . . .
C151 C 1.2522(2) 0.4564(2) 0.9042(2) 0.0521(14) Uani 1 1 d . . . . .
H151 H 1.2700 0.4820 0.9314 0.063 Uiso 1 1 calc R U . . .
C152 C 1.2845(3) 0.3875(3) 0.9287(3) 0.081(2) Uani 1 1 d . . . . .
H15D H 1.2737 0.3624 0.8998 0.122 Uiso 1 1 calc R U . . .
H15E H 1.2681 0.3629 0.9728 0.122 Uiso 1 1 calc R U . . .
H15F H 1.3327 0.3925 0.9296 0.122 Uiso 1 1 calc R U . . .
C153 C 1.2717(3) 0.4959(3) 0.8354(3) 0.079(2) Uani 1 1 d . . . . .
H15G H 1.3200 0.5011 0.8323 0.119 Uiso 1 1 calc R U . . .
H15H H 1.2504 0.5406 0.8222 0.119 Uiso 1 1 calc R U . . .
H15I H 1.2575 0.4718 0.8066 0.119 Uiso 1 1 calc R U . . .
C154 C 1.04221(18) 0.26910(17) 0.84985(17) 0.0303(10) Uani 1 1 d . . . . .
H154 H 1.0650 0.2502 0.8898 0.036 Uiso 1 1 calc R U . . .
C155 C 1.00284(17) 0.22703(18) 0.82752(16) 0.0264(10) Uani 1 1 d . . . . .
C156 C 0.99452(18) 0.15649(17) 0.86593(17) 0.0269(10) Uani 1 1 d . . . . .
C157 C 1.01422(18) 0.06742(17) 0.95917(17) 0.0270(10) Uani 1 1 d . . . . .
C158 C 1.04948(18) 0.03755(17) 1.01889(17) 0.0290(10) Uani 1 1 d . . . . .
C159 C 1.1010(2) 0.07530(18) 1.03344(18) 0.0347(11) Uani 1 1 d . . . . .
C160 C 1.1481(2) 0.1047(2) 1.0437(2) 0.0467(13) Uani 1 1 d . . . . .
C170 C 1.03384(17) -0.02660(16) 1.05864(17) 0.0264(9) Uani 1 1 d . . . . .
C171 C 1.05060(17) -0.11494(16) 1.15495(16) 0.0249(9) Uani 1 1 d . . . . .
C172 C 0.6857(6) 0.1595(7) 0.7340(6) 0.293(4) Uani 1 1 d . U . . .
C173 C 0.6274(6) 0.1067(7) 0.8713(6) 0.271(4) Uani 1 1 d . U . . .
C174 C 0.5895(6) 0.1148(7) 0.8103(6) 0.260(4) Uani 1 1 d . U . . .
C175 C 0.7273(6) 0.1605(6) 0.7842(5) 0.254(4) Uani 1 1 d . U . . .
O1 O 0.6349(4) 0.0996(4) 0.7605(4) 0.261(3) Uani 1 1 d . U . . .
O2 O 0.6835(3) 0.1596(3) 0.8442(3) 0.197(2) Uani 1 1 d . U . . .
C176 C 0.5696(4) 0.9175(3) 0.7267(4) 0.131(2) Uani 1 1 d D U . . .
C177 C 0.5110(4) 0.8476(3) 0.8233(3) 0.109(2) Uani 1 1 d D U . . .
C178 C 0.4703(4) 0.9068(3) 0.8251(3) 0.117(2) Uani 1 1 d D U . . .
C179 C 0.5324(5) 0.9762(3) 0.7300(3) 0.145(3) Uani 1 1 d D U . . .
O3 O 0.5315(2) 0.8594(2) 0.7543(2) 0.1063(15) Uani 1 1 d D U . . .
O4 O 0.5103(3) 0.9660(2) 0.7996(2) 0.142(2) Uani 1 1 d D U . . .
C180 C 0.4932(10) 0.0487(5) 1.0257(5) 0.249(3) Uani 0.5 1 d D U P A -1
C181 C 0.4356(7) 0.0169(5) 0.9384(6) 0.250(3) Uani 0.5 1 d D U P A -1
C182 C 0.4589(11) -0.0531(5) 0.9712(5) 0.256(3) Uani 0.5 1 d D U P A -1
C183 C 0.5133(7) -0.0208(5) 1.0556(7) 0.258(3) Uani 0.5 1 d D U P A -1
O5 O 0.4793(6) 0.0598(5) 0.9612(4) 0.245(3) Uani 0.5 1 d D U P A -1
O6 O 0.4566(6) -0.0601(6) 1.0378(4) 0.270(3) Uani 0.5 1 d D U P A -1
N1 N 0.31294(16) 0.48318(16) 1.10130(15) 0.0384(10) Uani 1 1 d . . . . .
N2 N 0.40783(16) 0.40256(16) 1.06336(16) 0.0378(10) Uani 1 1 d . . . . .
N3 N 0.34621(15) 0.66102(14) 0.89738(15) 0.0318(9) Uani 1 1 d . . . . .
N4 N 0.44003(16) 0.57964(15) 0.85964(15) 0.0334(9) Uani 1 1 d . . . . .
N5 N 0.42937(16) 0.94291(15) 0.61543(16) 0.0372(10) Uani 1 1 d . . . . .
N6 N 0.51180(15) 0.86105(14) 0.56693(15) 0.0316(9) Uani 1 1 d . . . . .
N7 N 0.83621(16) 0.52082(15) 0.39207(15) 0.0351(9) Uani 1 1 d . . . . .
N8 N 0.90952(16) 0.60610(15) 0.44291(16) 0.0358(9) Uani 1 1 d . . . . .
N9 N 0.87852(15) 0.33377(14) 0.58479(14) 0.0298(8) Uani 1 1 d . . . . .
N10 N 0.95145(15) 0.41882(14) 0.63566(14) 0.0282(8) Uani 1 1 d . . . . .
N11 N 1.02684(14) 0.13156(14) 0.92204(13) 0.0255(8) Uani 1 1 d . . . . .
N12 N 1.06516(14) -0.05303(14) 1.11774(14) 0.0281(8) Uani 1 1 d . . . . .
Si1 Si 0.17378(6) 0.70306(5) 1.04991(6) 0.0385(3) Uani 1 1 d . . . . .
Si2 Si 0.52082(7) 0.33965(6) 0.88709(7) 0.0431(4) Uani 0.873(3) 1 d D U P B 1
C26 C 0.5265(2) 0.2602(2) 0.9590(2) 0.0515(12) Uani 0.873(3) 1 d D U P B 1
H26 H 0.5493 0.2248 0.9449 0.062 Uiso 0.873(3) 1 calc R U P B 1
C27 C 0.4575(3) 0.2339(3) 0.9862(3) 0.076(2) Uani 0.873(3) 1 d D U P B 1
H27A H 0.4621 0.1899 1.0208 0.114 Uiso 0.873(3) 1 calc R U P B 1
H27B H 0.4305 0.2290 0.9511 0.114 Uiso 0.873(3) 1 calc R U P B 1
H27C H 0.4360 0.2661 1.0038 0.114 Uiso 0.873(3) 1 calc R U P B 1
C28 C 0.5666(3) 0.2702(3) 1.0136(3) 0.0666(17) Uani 0.873(3) 1 d D U P B 1
H28A H 0.5439 0.3033 1.0294 0.100 Uiso 0.873(3) 1 calc R U P B 1
H28B H 0.6108 0.2869 0.9970 0.100 Uiso 0.873(3) 1 calc R U P B 1
H28C H 0.5708 0.2270 1.0494 0.100 Uiso 0.873(3) 1 calc R U P B 1
C29 C 0.4536(3) 0.3326(3) 0.8312(3) 0.0706(13) Uani 0.873(3) 1 d D U P B 1
H29 H 0.4131 0.3215 0.8598 0.085 Uiso 0.873(3) 1 calc R U P B 1
C30 C 0.4622(4) 0.2730(3) 0.8084(3) 0.103(2) Uani 0.873(3) 1 d D U P B 1
H30A H 0.4221 0.2677 0.7859 0.154 Uiso 0.873(3) 1 calc R U P B 1
H30B H 0.4698 0.2319 0.8460 0.154 Uiso 0.873(3) 1 calc R U P B 1
H30C H 0.5003 0.2805 0.7785 0.154 Uiso 0.873(3) 1 calc R U P B 1
C31 C 0.4352(3) 0.3951(3) 0.7781(3) 0.096(2) Uani 0.873(3) 1 d D U P B 1
H31A H 0.4701 0.4063 0.7444 0.144 Uiso 0.873(3) 1 calc R U P B 1
H31B H 0.4300 0.4323 0.7953 0.144 Uiso 0.873(3) 1 calc R U P B 1
H31C H 0.3933 0.3884 0.7590 0.144 Uiso 0.873(3) 1 calc R U P B 1
C32 C 0.6036(2) 0.3665(2) 0.8474(2) 0.0504(11) Uani 0.873(3) 1 d D U P B 1
H32 H 0.6352 0.3621 0.8835 0.060 Uiso 0.873(3) 1 calc R U P B 1
C33 C 0.6304(3) 0.3197(3) 0.8119(3) 0.0613(15) Uani 0.873(3) 1 d D U P B 1
H33A H 0.6053 0.3274 0.7719 0.092 Uiso 0.873(3) 1 calc R U P B 1
H33B H 0.6258 0.2725 0.8402 0.092 Uiso 0.873(3) 1 calc R U P B 1
H33C H 0.6774 0.3295 0.8008 0.092 Uiso 0.873(3) 1 calc R U P B 1
C34 C 0.6046(3) 0.4425(2) 0.8030(2) 0.0507(14) Uani 0.873(3) 1 d D U P B 1
H34A H 0.6505 0.4563 0.7906 0.076 Uiso 0.873(3) 1 calc R U P B 1
H34B H 0.5852 0.4704 0.8267 0.076 Uiso 0.873(3) 1 calc R U P B 1
H34C H 0.5789 0.4484 0.7637 0.076 Uiso 0.873(3) 1 calc R U P B 1
Si2A Si 0.5186(4) 0.3467(3) 0.8776(3) 0.0561(13) Uani 0.127(3) 1 d D U P B 2
C26A C 0.5213(7) 0.2624(5) 0.9414(5) 0.0548(16) Uani 0.127(3) 1 d D U P B 2
H26A H 0.4778 0.2538 0.9652 0.066 Uiso 0.127(3) 1 calc R U P B 2
C27A C 0.5361(15) 0.2048(5) 0.9145(7) 0.059(3) Uani 0.127(3) 1 d D U P B 2
H27D H 0.5577 0.2233 0.8716 0.070 Uiso 0.127(3) 1 calc R U P B 2
H27E H 0.4945 0.1832 0.9103 0.070 Uiso 0.127(3) 1 calc R U P B 2
H27F H 0.5655 0.1713 0.9443 0.070 Uiso 0.127(3) 1 calc R U P B 2
C28A C 0.5767(8) 0.2566(11) 0.9904(6) 0.057(3) Uani 0.127(3) 1 d D U P B 2
H28D H 0.5718 0.2144 1.0274 0.085 Uiso 0.127(3) 1 calc R U P B 2
H28E H 0.5740 0.2951 1.0060 0.085 Uiso 0.127(3) 1 calc R U P B 2
H28F H 0.6199 0.2566 0.9692 0.085 Uiso 0.127(3) 1 calc R U P B 2
C29A C 0.4601(5) 0.3545(7) 0.8088(6) 0.0734(19) Uani 0.127(3) 1 d D U P B 2
H29A H 0.4809 0.3290 0.7822 0.088 Uiso 0.127(3) 1 calc R U P B 2
C30A C 0.3930(6) 0.3238(11) 0.8305(14) 0.082(3) Uani 0.127(3) 1 d D U P B 2
H30D H 0.3986 0.2770 0.8598 0.123 Uiso 0.127(3) 1 calc R U P B 2
H30E H 0.3692 0.3500 0.8535 0.123 Uiso 0.127(3) 1 calc R U P B 2
H30F H 0.3676 0.3244 0.7924 0.123 Uiso 0.127(3) 1 calc R U P B 2
C31A C 0.4507(14) 0.4258(7) 0.7643(11) 0.081(4) Uani 0.127(3) 1 d D U P B 2
H31D H 0.4941 0.4463 0.7498 0.121 Uiso 0.127(3) 1 calc R U P B 2
H31E H 0.4251 0.4261 0.7263 0.121 Uiso 0.127(3) 1 calc R U P B 2
H31F H 0.4267 0.4517 0.7874 0.121 Uiso 0.127(3) 1 calc R U P B 2
C32A C 0.6007(5) 0.3854(5) 0.8472(6) 0.0518(16) Uani 0.127(3) 1 d D U P B 2
H32A H 0.5865 0.4209 0.8058 0.062 Uiso 0.127(3) 1 calc R U P B 2
C33A C 0.6456(8) 0.3432(7) 0.8196(8) 0.054(3) Uani 0.127(3) 1 d D U P B 2
H33D H 0.6890 0.3650 0.8085 0.081 Uiso 0.127(3) 1 calc R U P B 2
H33E H 0.6257 0.3394 0.7803 0.081 Uiso 0.127(3) 1 calc R U P B 2
H33F H 0.6513 0.2980 0.8520 0.081 Uiso 0.127(3) 1 calc R U P B 2
C34A C 0.6293(10) 0.4307(6) 0.8825(7) 0.057(3) Uani 0.127(3) 1 d D U P B 2
H34D H 0.6547 0.4029 0.9203 0.086 Uiso 0.127(3) 1 calc R U P B 2
H34E H 0.5930 0.4538 0.8971 0.086 Uiso 0.127(3) 1 calc R U P B 2
H34F H 0.6585 0.4645 0.8526 0.086 Uiso 0.127(3) 1 calc R U P B 2
Si3 Si 0.11481(6) 0.97553(6) 0.77458(6) 0.0434(3) Uani 1 1 d . . . . .
Si4 Si 0.66467(6) 0.52974(6) 0.59000(6) 0.0391(3) Uani 1 1 d . . . . .
Si5 Si 0.63053(14) 0.82524(11) 0.37378(12) 0.0592(7) Uani 0.549(3) 1 d D U P C
1
C77 C 0.6936(4) 0.7728(4) 0.4343(4) 0.0770(15) Uani 0.549(3) 1 d D U P C 1
H77 H 0.6738 0.7443 0.4770 0.092 Uiso 0.549(3) 1 calc R U P C 1
C78 C 0.7267(6) 0.7243(4) 0.3853(4) 0.106(3) Uani 0.549(3) 1 d D U P C 1
H78A H 0.7421 0.7555 0.3431 0.159 Uiso 0.549(3) 1 calc R U P C 1
H78B H 0.6919 0.6954 0.3785 0.159 Uiso 0.549(3) 1 calc R U P C 1
H78C H 0.7640 0.6961 0.4081 0.159 Uiso 0.549(3) 1 calc R U P C 1
C79 C 0.7469(4) 0.8140(5) 0.4403(5) 0.094(2) Uani 0.549(3) 1 d D U P C 1
H79A H 0.7887 0.7887 0.4444 0.142 Uiso 0.549(3) 1 calc R U P C 1
H79B H 0.7397 0.8269 0.4790 0.142 Uiso 0.549(3) 1 calc R U P C 1
H79C H 0.7489 0.8548 0.4015 0.142 Uiso 0.549(3) 1 calc R U P C 1
C80 C 0.5591(3) 0.7745(4) 0.3637(4) 0.0681(15) Uani 0.549(3) 1 d D U P C 1
H80 H 0.5758 0.7436 0.3406 0.082 Uiso 0.549(3) 1 calc R U P C 1
C81 C 0.5286(5) 0.7311(4) 0.4276(4) 0.074(2) Uani 0.549(3) 1 d D U P C 1
H81A H 0.5105 0.7601 0.4508 0.110 Uiso 0.549(3) 1 calc R U P C 1
H81B H 0.5626 0.7009 0.4543 0.110 Uiso 0.549(3) 1 calc R U P C 1
H81C H 0.4929 0.7041 0.4192 0.110 Uiso 0.549(3) 1 calc R U P C 1
C82 C 0.5030(5) 0.8219(5) 0.3197(5) 0.095(3) Uani 0.549(3) 1 d D U P C 1
H82A H 0.4757 0.7952 0.3008 0.143 Uiso 0.549(3) 1 calc R U P C 1
H82B H 0.5238 0.8589 0.2847 0.143 Uiso 0.549(3) 1 calc R U P C 1
H82C H 0.4750 0.8406 0.3467 0.143 Uiso 0.549(3) 1 calc R U P C 1
C83 C 0.6728(5) 0.8722(3) 0.2953(3) 0.0659(14) Uani 0.549(3) 1 d D U P C 1
H83 H 0.7185 0.8718 0.3128 0.079 Uiso 0.549(3) 1 calc R U P C 1
C84 C 0.6876(5) 0.8299(4) 0.2534(4) 0.076(2) Uani 0.549(3) 1 d D U P C 1
H84A H 0.6942 0.8595 0.2082 0.113 Uiso 0.549(3) 1 calc R U P C 1
H84B H 0.6503 0.7997 0.2559 0.113 Uiso 0.549(3) 1 calc R U P C 1
H84C H 0.7279 0.8029 0.2689 0.113 Uiso 0.549(3) 1 calc R U P C 1
C85 C 0.6660(6) 0.9401(4) 0.2667(5) 0.099(3) Uani 0.549(3) 1 d D U P C 1
H85A H 0.6706 0.9603 0.2207 0.119 Uiso 0.549(3) 1 calc R U P C 1
H85B H 0.6567 0.9676 0.2925 0.119 Uiso 0.549(3) 1 calc R U P C 1
Si5A Si 0.63156(17) 0.82446(14) 0.37389(15) 0.0610(8) Uani 0.451(3) 1 d D U P C
2
C77A C 0.7069(4) 0.7810(5) 0.4196(4) 0.0761(16) Uani 0.451(3) 1 d D U P C 2
H77A H 0.7137 0.7362 0.4138 0.091 Uiso 0.451(3) 1 calc R U P C 2
C78A C 0.6863(6) 0.7684(6) 0.5052(4) 0.087(3) Uani 0.451(3) 1 d D U P C 2
H78D H 0.7271 0.7674 0.5292 0.130 Uiso 0.451(3) 1 calc R U P C 2
H78E H 0.6629 0.7255 0.5245 0.130 Uiso 0.451(3) 1 calc R U P C 2
H78F H 0.6578 0.8057 0.5075 0.130 Uiso 0.451(3) 1 calc R U P C 2
C79A C 0.7671(4) 0.8171(6) 0.4074(6) 0.086(3) Uani 0.451(3) 1 d D U P C 2
H79D H 0.7648 0.8528 0.4270 0.129 Uiso 0.451(3) 1 calc R U P C 2
H79E H 0.7744 0.8376 0.3603 0.129 Uiso 0.451(3) 1 calc R U P C 2
H79F H 0.8039 0.7861 0.4266 0.129 Uiso 0.451(3) 1 calc R U P C 2
C80A C 0.5658(4) 0.7583(4) 0.3870(4) 0.0680(16) Uani 0.451(3) 1 d D U P C 2
H80A H 0.5847 0.7188 0.3766 0.082 Uiso 0.451(3) 1 calc R U P C 2
C81A C 0.5398(5) 0.7340(5) 0.4571(4) 0.064(2) Uani 0.451(3) 1 d D U P C 2
H81D H 0.5242 0.7729 0.4685 0.095 Uiso 0.451(3) 1 calc R U P C 2
H81E H 0.5754 0.7106 0.4865 0.095 Uiso 0.451(3) 1 calc R U P C 2
H81F H 0.5029 0.7028 0.4613 0.095 Uiso 0.451(3) 1 calc R U P C 2
C82A C 0.5040(5) 0.7882(6) 0.3416(5) 0.084(3) Uani 0.451(3) 1 d D U P C 2
H82D H 0.4731 0.7516 0.3445 0.126 Uiso 0.451(3) 1 calc R U P C 2
H82E H 0.5193 0.8089 0.2964 0.126 Uiso 0.451(3) 1 calc R U P C 2
H82F H 0.4814 0.8224 0.3558 0.126 Uiso 0.451(3) 1 calc R U P C 2
C83A C 0.6401(6) 0.8766(4) 0.2871(4) 0.0766(16) Uani 0.451(3) 1 d D U P C 2
H83A H 0.6877 0.8875 0.2904 0.092 Uiso 0.451(3) 1 calc R U P C 2
C84A C 0.6519(7) 0.8477(5) 0.2346(4) 0.091(3) Uani 0.451(3) 1 d D U P C 2
H84D H 0.6095 0.8343 0.2215 0.137 Uiso 0.451(3) 1 calc R U P C 2
H84E H 0.6811 0.8080 0.2505 0.137 Uiso 0.451(3) 1 calc R U P C 2
H84F H 0.6729 0.8818 0.1971 0.137 Uiso 0.451(3) 1 calc R U P C 2
C85A C 0.6209(6) 0.9420(4) 0.2584(6) 0.085(3) Uani 0.451(3) 1 d D U P C 2
H85C H 0.6175 0.9605 0.2124 0.102 Uiso 0.451(3) 1 calc R U P C 2
H85D H 0.6110 0.9692 0.2844 0.102 Uiso 0.451(3) 1 calc R U P C 2
Si6 Si 0.69944(8) 0.31511(8) 0.42604(7) 0.0445(4) Uani 0.800(3) 1 d D U P D 1
C97 C 0.6358(3) 0.3793(3) 0.3835(3) 0.0550(13) Uani 0.800(3) 1 d D U P D 1
H97 H 0.6125 0.3608 0.3532 0.066 Uiso 0.800(3) 1 calc R U P D 1
C98 C 0.5843(3) 0.3932(3) 0.4259(3) 0.0719(18) Uani 0.800(3) 1 d D U P D 1
H98A H 0.6044 0.4148 0.4543 0.108 Uiso 0.800(3) 1 calc R U P D 1
H98B H 0.5638 0.3506 0.4526 0.108 Uiso 0.800(3) 1 calc R U P D 1
H98C H 0.5504 0.4233 0.3990 0.108 Uiso 0.800(3) 1 calc R U P D 1
C99 C 0.6656(3) 0.4480(3) 0.3408(3) 0.076(2) Uani 0.800(3) 1 d D U P D 1
H99A H 0.6303 0.4776 0.3159 0.114 Uiso 0.800(3) 1 calc R U P D 1
H99B H 0.6989 0.4403 0.3108 0.114 Uiso 0.800(3) 1 calc R U P D 1
H99C H 0.6866 0.4695 0.3689 0.114 Uiso 0.800(3) 1 calc R U P D 1
C100 C 0.7228(3) 0.2722(3) 0.3659(2) 0.0591(12) Uani 0.800(3) 1 d D U P D 1
H100 H 0.6828 0.2458 0.3629 0.071 Uiso 0.800(3) 1 calc R U P D 1
C101 C 0.7798(3) 0.2171(3) 0.3935(3) 0.0722(18) Uani 0.800(3) 1 d D U P D 1
H10A H 0.7901 0.1948 0.3618 0.108 Uiso 0.800(3) 1 calc R U P D 1
H10B H 0.7647 0.1834 0.4345 0.108 Uiso 0.800(3) 1 calc R U P D 1
H10C H 0.8196 0.2393 0.4014 0.108 Uiso 0.800(3) 1 calc R U P D 1
C102 C 0.7364(3) 0.3177(3) 0.2979(3) 0.076(2) Uani 0.800(3) 1 d D U P D 1
H10D H 0.7766 0.3437 0.2969 0.114 Uiso 0.800(3) 1 calc R U P D 1
H10E H 0.6987 0.3488 0.2824 0.114 Uiso 0.800(3) 1 calc R U P D 1
H10F H 0.7427 0.2905 0.2696 0.114 Uiso 0.800(3) 1 calc R U P D 1
C103 C 0.6675(2) 0.2581(3) 0.5052(2) 0.0516(12) Uani 0.800(3) 1 d D U P D 1
H103 H 0.6424 0.2868 0.5260 0.062 Uiso 0.800(3) 1 calc R U P D 1
C104 C 0.7201(3) 0.2189(3) 0.5536(3) 0.0631(18) Uani 0.800(3) 1 d D U P D 1
H10G H 0.6987 0.1833 0.5895 0.095 Uiso 0.800(3) 1 calc R U P D 1
H10H H 0.7431 0.2499 0.5707 0.095 Uiso 0.800(3) 1 calc R U P D 1
H10I H 0.7521 0.1984 0.5315 0.095 Uiso 0.800(3) 1 calc R U P D 1
C105 C 0.6165(3) 0.2057(2) 0.4948(3) 0.0534(15) Uani 0.800(3) 1 d D U P D 1
H10J H 0.6394 0.1765 0.4744 0.080 Uiso 0.800(3) 1 calc R U P D 1
H10K H 0.5805 0.2304 0.4666 0.080 Uiso 0.800(3) 1 calc R U P D 1
H10L H 0.5980 0.1778 0.5371 0.080 Uiso 0.800(3) 1 calc R U P D 1
Si6A Si 0.7059(3) 0.3059(3) 0.4291(3) 0.0532(12) Uani 0.200(3) 1 d D U P D 2
C97A C 0.6499(5) 0.3586(6) 0.3657(5) 0.0574(17) Uani 0.200(3) 1 d D U P D 2
H97A H 0.6223 0.3260 0.3529 0.069 Uiso 0.200(3) 1 calc R U P D 2
C98A C 0.6020(7) 0.4041(7) 0.3822(8) 0.070(3) Uani 0.200(3) 1 d D U P D 2
H98D H 0.6226 0.4236 0.4120 0.106 Uiso 0.200(3) 1 calc R U P D 2
H98E H 0.5628 0.3785 0.4032 0.106 Uiso 0.200(3) 1 calc R U P D 2
H98F H 0.5889 0.4405 0.3424 0.106 Uiso 0.200(3) 1 calc R U P D 2
C99A C 0.6877(8) 0.4003(11) 0.3029(6) 0.070(3) Uani 0.200(3) 1 d D U P D 2
H99D H 0.6657 0.3958 0.2649 0.105 Uiso 0.200(3) 1 calc R U P D 2
H99E H 0.7335 0.3834 0.3047 0.105 Uiso 0.200(3) 1 calc R U P D 2
H99F H 0.6880 0.4480 0.2995 0.105 Uiso 0.200(3) 1 calc R U P D 2
C10A C 0.7592(5) 0.2546(5) 0.3913(5) 0.0648(18) Uani 0.200(3) 1 d D U P D 2
H10M H 0.7877 0.2893 0.3596 0.078 Uiso 0.200(3) 1 calc R U P D 2
C1A C 0.8112(7) 0.2086(9) 0.4428(8) 0.077(4) Uani 0.200(3) 1 d D U P D 2
H1A1 H 0.7888 0.1683 0.4720 0.093 Uiso 0.200(3) 1 calc R U P D 2
H1A2 H 0.8292 0.2345 0.4684 0.093 Uiso 0.200(3) 1 calc R U P D 2
H1A3 H 0.8474 0.1947 0.4195 0.093 Uiso 0.200(3) 1 calc R U P D 2
C2A C 0.7292(9) 0.2182(6) 0.3509(6) 0.074(3) Uani 0.200(3) 1 d D U P D 2
H2A1 H 0.7635 0.1910 0.3387 0.111 Uiso 0.200(3) 1 calc R U P D 2
H2A2 H 0.7104 0.2511 0.3115 0.111 Uiso 0.200(3) 1 calc R U P D 2
H2A3 H 0.6941 0.1884 0.3760 0.111 Uiso 0.200(3) 1 calc R U P D 2
C3A C 0.6582(6) 0.2515(5) 0.5006(4) 0.0529(16) Uani 0.200(3) 1 d D U P D 2
H3A H 0.6185 0.2778 0.5068 0.063 Uiso 0.200(3) 1 calc R U P D 2
C4A C 0.6961(8) 0.2271(10) 0.5643(5) 0.060(3) Uani 0.200(3) 1 d D U P D 2
H4A1 H 0.6662 0.2261 0.6004 0.090 Uiso 0.200(3) 1 calc R U P D 2
H4A2 H 0.7328 0.2580 0.5621 0.090 Uiso 0.200(3) 1 calc R U P D 2
H4A3 H 0.7138 0.1815 0.5715 0.090 Uiso 0.200(3) 1 calc R U P D 2
C5A C 0.6325(9) 0.1878(5) 0.4833(7) 0.058(3) Uani 0.200(3) 1 d D U P D 2
H5A1 H 0.6629 0.1494 0.5015 0.087 Uiso 0.200(3) 1 calc R U P D 2
H5A2 H 0.6309 0.1996 0.4359 0.087 Uiso 0.200(3) 1 calc R U P D 2
H5A3 H 0.5881 0.1755 0.5020 0.087 Uiso 0.200(3) 1 calc R U P D 2
Si7 Si 0.99020(6) 0.66209(6) 0.63210(6) 0.0441(3) Uani 1 1 d . . . . .
Si8 Si 0.79561(9) -0.01303(8) 0.58816(8) 0.0552(5) Uani 0.760(3) 1 d D U P E 1
C127 C 0.7267(3) 0.0277(3) 0.5355(2) 0.0593(13) Uani 0.760(3) 1 d D U P E 1
H127 H 0.7374 0.0770 0.5183 0.071 Uiso 0.760(3) 1 calc R U P E 1
C128 C 0.6568(3) 0.0220(3) 0.5775(3) 0.0562(16) Uani 0.760(3) 1 d D U P E 1
H12A H 0.6207 0.0433 0.5478 0.084 Uiso 0.760(3) 1 calc R U P E 1
H12B H 0.6617 0.0451 0.6094 0.084 Uiso 0.760(3) 1 calc R U P E 1
H12C H 0.6466 -0.0258 0.6003 0.084 Uiso 0.760(3) 1 calc R U P E 1
C129 C 0.7163(4) 0.0074(4) 0.4758(3) 0.0824(19) Uani 0.760(3) 1 d D U P E 1
H12D H 0.7255 -0.0411 0.4867 0.124 Uiso 0.760(3) 1 calc R U P E 1
H12E H 0.7463 0.0332 0.4407 0.124 Uiso 0.760(3) 1 calc R U P E 1
H12F H 0.6703 0.0171 0.4615 0.124 Uiso 0.760(3) 1 calc R U P E 1
C130 C 0.8727(3) -0.0149(3) 0.5398(3) 0.0744(13) Uani 0.760(3) 1 d D U P E 1
H130 H 0.8631 -0.0433 0.5124 0.089 Uiso 0.760(3) 1 calc R U P E 1
C131 C 0.8889(4) 0.0589(3) 0.4917(4) 0.086(2) Uani 0.760(3) 1 d D U P E 1
H13D H 0.9021 0.0872 0.5170 0.129 Uiso 0.760(3) 1 calc R U P E 1
H13E H 0.8494 0.0785 0.4663 0.129 Uiso 0.760(3) 1 calc R U P E 1
H13F H 0.9252 0.0565 0.4622 0.129 Uiso 0.760(3) 1 calc R U P E 1
C132 C 0.9320(4) -0.0439(5) 0.5781(4) 0.110(3) Uani 0.760(3) 1 d D U P E 1
H13G H 0.9685 -0.0459 0.5487 0.165 Uiso 0.760(3) 1 calc R U P E 1
H13H H 0.9223 -0.0896 0.6079 0.165 Uiso 0.760(3) 1 calc R U P E 1
H13I H 0.9447 -0.0154 0.6033 0.165 Uiso 0.760(3) 1 calc R U P E 1
C133 C 0.7762(4) -0.0981(3) 0.6454(3) 0.0779(13) Uani 0.760(3) 1 d D U P E 1
H133 H 0.7374 -0.0917 0.6719 0.094 Uiso 0.760(3) 1 calc R U P E 1
C134 C 0.8308(4) -0.1272(4) 0.6934(4) 0.110(2) Uani 0.760(3) 1 d D U P E 1
H13J H 0.8115 -0.1532 0.7358 0.164 Uiso 0.760(3) 1 calc R U P E 1
H13K H 0.8575 -0.0903 0.6977 0.164 Uiso 0.760(3) 1 calc R U P E 1
H13L H 0.8591 -0.1569 0.6778 0.164 Uiso 0.760(3) 1 calc R U P E 1
C135 C 0.7532(4) -0.1508(3) 0.6136(4) 0.111(2) Uani 0.760(3) 1 d D U P E 1
H13M H 0.7767 -0.1426 0.5720 0.167 Uiso 0.760(3) 1 calc R U P E 1
H13N H 0.7053 -0.1459 0.6060 0.167 Uiso 0.760(3) 1 calc R U P E 1
H13O H 0.7632 -0.1967 0.6429 0.167 Uiso 0.760(3) 1 calc R U P E 1
Si8B Si 0.7912(3) -0.0138(2) 0.5911(2) 0.0645(11) Uani 0.240(3) 1 d D U P E 2
C27B C 0.7890(6) 0.0357(6) 0.5054(4) 0.0663(15) Uani 0.240(3) 1 d D U P E 2
H27G H 0.7551 0.0718 0.5020 0.080 Uiso 0.240(3) 1 calc R U P E 2
C28B C 0.8577(6) 0.0772(8) 0.4745(8) 0.074(3) Uani 0.240(3) 1 d D U P E 2
H28G H 0.8502 0.1056 0.4291 0.111 Uiso 0.240(3) 1 calc R U P E 2
H28H H 0.8936 0.0448 0.4762 0.111 Uiso 0.240(3) 1 calc R U P E 2
H28I H 0.8698 0.1058 0.4998 0.111 Uiso 0.240(3) 1 calc R U P E 2
C29B C 0.7636(9) -0.0016(6) 0.4616(5) 0.080(3) Uani 0.240(3) 1 d D U P E 2
H29B H 0.7445 0.0311 0.4222 0.120 Uiso 0.240(3) 1 calc R U P E 2
H29C H 0.7295 -0.0338 0.4849 0.120 Uiso 0.240(3) 1 calc R U P E 2
H29D H 0.8004 -0.0260 0.4494 0.120 Uiso 0.240(3) 1 calc R U P E 2
C30B C 0.8478(4) -0.0886(5) 0.6143(7) 0.0724(15) Uani 0.240(3) 1 d D U P E 2
H30G H 0.8457 -0.1037 0.6630 0.087 Uiso 0.240(3) 1 calc R U P E 2
C31B C 0.8139(8) -0.1496(5) 0.6004(8) 0.089(3) Uani 0.240(3) 1 d D U P E 2
H31G H 0.7662 -0.1493 0.6098 0.134 Uiso 0.240(3) 1 calc R U P E 2
H31H H 0.8208 -0.1450 0.5546 0.134 Uiso 0.240(3) 1 calc R U P E 2
H31I H 0.8336 -0.1924 0.6283 0.134 Uiso 0.240(3) 1 calc R U P E 2
C32B C 0.9179(5) -0.0843(10) 0.6021(11) 0.083(3) Uani 0.240(3) 1 d D U P E 2
H32B H 0.9354 -0.0454 0.6117 0.124 Uiso 0.240(3) 1 calc R U P E 2
H32C H 0.9396 -0.1259 0.6300 0.124 Uiso 0.240(3) 1 calc R U P E 2
H32D H 0.9268 -0.0785 0.5563 0.124 Uiso 0.240(3) 1 calc R U P E 2
C33B C 0.7092(5) -0.0469(5) 0.6285(5) 0.0721(17) Uani 0.240(3) 1 d D U P E 2
H33G H 0.6778 -0.0113 0.6328 0.087 Uiso 0.240(3) 1 calc R U P E 2
C34B C 0.6801(8) -0.0929(6) 0.5939(6) 0.087(3) Uani 0.240(3) 1 d D U P E 2
H34G H 0.6664 -0.0652 0.5499 0.130 Uiso 0.240(3) 1 calc R U P E 2
H34H H 0.7138 -0.1259 0.5912 0.130 Uiso 0.240(3) 1 calc R U P E 2
H34I H 0.6416 -0.1167 0.6186 0.130 Uiso 0.240(3) 1 calc R U P E 2
C35B C 0.7263(10) -0.1071(8) 0.6979(6) 0.088(4) Uani 0.240(3) 1 d D U P E 2
H35A H 0.6867 -0.1342 0.7144 0.131 Uiso 0.240(3) 1 calc R U P E 2
H35B H 0.7406 -0.0867 0.7297 0.131 Uiso 0.240(3) 1 calc R U P E 2
H35C H 0.7620 -0.1361 0.6908 0.131 Uiso 0.240(3) 1 calc R U P E 2
Si9 Si 1.15914(6) 0.45461(6) 0.91690(6) 0.0431(3) Uani 1 1 d . . . . .
Si10 Si 1.22639(9) 0.14353(10) 1.05261(9) 0.0632(5) Uani 0.749(4) 1 d D U P F 1
C161 C 1.2695(3) 0.1673(3) 0.9732(3) 0.0762(14) Uani 0.749(4) 1 d D U P F 1
H161 H 1.3086 0.1950 0.9758 0.091 Uiso 0.749(4) 1 calc R U P F 1
C162 C 1.2297(4) 0.2092(4) 0.9153(3) 0.081(2) Uani 0.749(4) 1 d D U P F 1
H16D H 1.2573 0.2200 0.8758 0.122 Uiso 0.749(4) 1 calc R U P F 1
H16E H 1.2150 0.2512 0.9216 0.122 Uiso 0.749(4) 1 calc R U P F 1
H16F H 1.1910 0.1835 0.9107 0.122 Uiso 0.749(4) 1 calc R U P F 1
C163 C 1.2954(4) 0.1088(4) 0.9574(4) 0.113(3) Uani 0.749(4) 1 d D U P F 1
H16G H 1.2583 0.0836 0.9486 0.170 Uiso 0.749(4) 1 calc R U P F 1
H16H H 1.3207 0.0791 0.9944 0.170 Uiso 0.749(4) 1 calc R U P F 1
H16I H 1.3244 0.1246 0.9189 0.170 Uiso 0.749(4) 1 calc R U P F 1
C164 C 1.2097(3) 0.2213(3) 1.0715(3) 0.0681(13) Uani 0.749(4) 1 d D U P F 1
H164 H 1.1967 0.2569 1.0296 0.082 Uiso 0.749(4) 1 calc R U P F 1
C165 C 1.2691(3) 0.2487(3) 1.0973(3) 0.084(2) Uani 0.749(4) 1 d D U P F 1
H16J H 1.2568 0.2919 1.1025 0.126 Uiso 0.749(4) 1 calc R U P F 1
H16K H 1.3063 0.2557 1.0665 0.126 Uiso 0.749(4) 1 calc R U P F 1
H16L H 1.2821 0.2162 1.1396 0.126 Uiso 0.749(4) 1 calc R U P F 1
C166 C 1.1521(3) 0.2145(3) 1.1185(3) 0.079(2) Uani 0.749(4) 1 d D U P F 1
H16M H 1.1623 0.1792 1.1601 0.119 Uiso 0.749(4) 1 calc R U P F 1
H16N H 1.1121 0.2023 1.1003 0.119 Uiso 0.749(4) 1 calc R U P F 1
H16O H 1.1446 0.2576 1.1256 0.119 Uiso 0.749(4) 1 calc R U P F 1
C167 C 1.2713(3) 0.0734(4) 1.1177(3) 0.0777(15) Uani 0.749(4) 1 d D U P F 1
H167 H 1.2680 0.0332 1.1033 0.093 Uiso 0.749(4) 1 calc R U P F 1
C168 C 1.3488(3) 0.0895(5) 1.1138(4) 0.111(3) Uani 0.749(4) 1 d D U P F 1
H16P H 1.3559 0.1309 1.1238 0.166 Uiso 0.749(4) 1 calc R U P F 1
H16Q H 1.3656 0.0956 1.0698 0.166 Uiso 0.749(4) 1 calc R U P F 1
H16R H 1.3724 0.0517 1.1454 0.166 Uiso 0.749(4) 1 calc R U P F 1
C169 C 1.2405(4) 0.0518(4) 1.1819(3) 0.086(2) Uani 0.749(4) 1 d D U P F 1
H16S H 1.2663 0.0143 1.2115 0.129 Uiso 0.749(4) 1 calc R U P F 1
H16T H 1.1952 0.0367 1.1791 0.129 Uiso 0.749(4) 1 calc R U P F 1
H16U H 1.2392 0.0897 1.1985 0.129 Uiso 0.749(4) 1 calc R U P F 1
Si1A Si 1.2244(3) 0.1452(3) 1.0573(3) 0.0710(11) Uani 0.251(4) 1 d D U P F 2
C61A C 1.2657(5) 0.1910(6) 0.9787(4) 0.0748(17) Uani 0.251(4) 1 d D U P F 2
H61A H 1.2921 0.2281 0.9852 0.090 Uiso 0.251(4) 1 calc R U P F 2
C62A C 1.2174(7) 0.2239(10) 0.9236(6) 0.079(3) Uani 0.251(4) 1 d D U P F 2
H62A H 1.2422 0.2428 0.8825 0.119 Uiso 0.251(4) 1 calc R U P F 2
H62B H 1.1928 0.2603 0.9328 0.119 Uiso 0.251(4) 1 calc R U P F 2
H62C H 1.1863 0.1900 0.9201 0.119 Uiso 0.251(4) 1 calc R U P F 2
C63A C 1.3114(7) 0.1509(7) 0.9530(7) 0.094(3) Uani 0.251(4) 1 d D U P F 2
H63A H 1.2863 0.1171 0.9415 0.141 Uiso 0.251(4) 1 calc R U P F 2
H63B H 1.3441 0.1281 0.9862 0.141 Uiso 0.251(4) 1 calc R U P F 2
H63C H 1.3342 0.1809 0.9142 0.141 Uiso 0.251(4) 1 calc R U P F 2
C64A C 1.1957(5) 0.2131(5) 1.0874(5) 0.0725(16) Uani 0.251(4) 1 d D U P F 2
H64D H 1.1842 0.2525 1.0478 0.087 Uiso 0.251(4) 1 calc R U P F 2
C65A C 1.2498(6) 0.2380(7) 1.1223(6) 0.079(3) Uani 0.251(4) 1 d D U P F 2
H65D H 1.2580 0.2037 1.1650 0.119 Uiso 0.251(4) 1 calc R U P F 2
H65E H 1.2351 0.2803 1.1280 0.119 Uiso 0.251(4) 1 calc R U P F 2
H65F H 1.2907 0.2459 1.0961 0.119 Uiso 0.251(4) 1 calc R U P F 2
C66A C 1.1346(5) 0.1992(9) 1.1300(7) 0.074(3) Uani 0.251(4) 1 d D U P F 2
H66A H 1.0992 0.1832 1.1087 0.112 Uiso 0.251(4) 1 calc R U P F 2
H66B H 1.1447 0.1644 1.1720 0.112 Uiso 0.251(4) 1 calc R U P F 2
H66C H 1.1200 0.2408 1.1372 0.112 Uiso 0.251(4) 1 calc R U P F 2
C67A C 1.2769(6) 0.0782(4) 1.1168(5) 0.0797(16) Uani 0.251(4) 1 d D U P F 2
H67D H 1.2417 0.0669 1.1516 0.096 Uiso 0.251(4) 1 calc R U P F 2
C68A C 1.2750(10) 0.0055(5) 1.1097(8) 0.088(3) Uani 0.251(4) 1 d D U P F 2
H68D H 1.3069 -0.0246 1.1397 0.106 Uiso 0.251(4) 1 calc R U P F 2
H68E H 1.2867 0.0094 1.0649 0.106 Uiso 0.251(4) 1 calc R U P F 2
H68F H 1.2303 -0.0131 1.1202 0.106 Uiso 0.251(4) 1 calc R U P F 2
C69A C 1.3233(7) 0.0997(7) 1.1558(6) 0.094(3) Uani 0.251(4) 1 d D U P F 2
H69A H 1.3005 0.1023 1.1949 0.141 Uiso 0.251(4) 1 calc R U P F 2
H69B H 1.3407 0.1443 1.1302 0.141 Uiso 0.251(4) 1 calc R U P F 2
H69C H 1.3600 0.0669 1.1687 0.141 Uiso 0.251(4) 1 calc R U P F 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
C1 C2 1.348(6) . ?
C1 C6 1.430(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.421(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.351(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.437(6) . ?
C4 H4 0.9500 . ?
C5 N1 1.313(5) . ?
C5 C6 1.433(6) . ?
C6 N2 1.332(5) . ?
C7 N2 1.350(5) . ?
C7 C23 1.422(5) . ?
C7 C8 1.442(6) . ?
C8 N1 1.378(5) . ?
C8 C9 1.392(5) . ?
C9 C21 1.409(5) . ?
C9 C10 1.434(6) . ?
C10 C11 1.225(6) . ?
C11 Si1 1.842(4) . ?
C12 C14 1.527(7) . ?
C12 C13 1.541(6) . ?
C12 Si1 1.853(4) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.546(7) . ?
C15 C17 1.562(7) . ?
C15 Si1 1.857(5) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.531(6) . ?
C18 C20 1.538(6) . ?
C18 Si1 1.883(4) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 N3 1.360(4) . ?
C21 C22 1.439(5) . ?
C22 N4 1.381(5) . ?
C22 C23 1.392(5) . ?
C23 C24 1.427(6) . ?
C24 C25 1.197(6) . ?
C25 Si2A 1.839(8) . ?
C25 Si2 1.840(4) . ?
C35 N4 1.319(4) . ?
C35 C35P 1.442(5) . ?
C35 C60 1.479(5) . ?
C35P N3 1.322(5) . ?
C35P C36 1.450(5) . ?
C36 C52 1.403(5) . ?
C36 C37 1.424(6) . ?
C37 C38 1.386(5) . ?
C37 H37 0.9500 . ?
C38 C50 1.410(6) . ?
C38 C39 1.427(6) . ?
C39 C40 1.220(7) . ?
C40 Si3 1.841(5) . ?
C41 C42 1.506(7) . ?
C41 C43 1.507(6) . ?
C41 Si3 1.904(5) . ?
C41 H41 1.0000 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.534(7) . ?
C44 C46 1.550(7) . ?
C44 Si3 1.886(5) . ?
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 C48 1.494(8) . ?
C47 C49 1.543(7) . ?
C47 Si3 1.860(5) . ?
C47 H47 1.0000 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.388(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.386(5) . ?
C51 C56 1.460(5) . ?
C52 C53 1.486(6) . ?
C53 C54 1.398(5) . ?
C53 C60 1.407(5) . ?
C54 C57 1.396(6) . ?
C54 C55 1.462(5) . ?
C55 N6 1.322(5) . ?
C55 C56 1.430(6) . ?
C56 N5 1.296(5) . ?
C57 C58 1.389(5) . ?
C57 H57 0.9500 . ?
C58 C59 1.408(5) . ?
C58 C61 1.453(6) . ?
C59 C60 1.386(6) . ?
C59 H59 0.9500 . ?
C61 C62 1.207(6) . ?
C62 Si4 1.847(5) . ?
C63 C65 1.512(7) . ?
C63 C64 1.522(7) . ?
C63 Si4 1.873(4) . ?
C63 H63 1.0000 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C67 1.541(7) . ?
C66 C68 1.548(7) . ?
C66 Si4 1.870(5) . ?
C66 H66 1.0000 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C71 1.496(6) . ?
C69 C70 1.537(7) . ?
C69 Si4 1.863(4) . ?
C69 H69 1.0000 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 N5 1.369(5) . ?
C72 C74 1.418(5) 2_676 ?
C72 C73 1.431(6) . ?
C73 N6 1.379(4) . ?
C73 C74 1.416(5) . ?
C74 C75 1.412(6) . ?
C74 C72 1.418(5) 2_676 ?
C75 C76 1.203(6) . ?
C76 Si5 1.824(5) . ?
C76 Si5A 1.843(5) . ?
C86 C87 1.360(6) . ?
C86 C91 1.429(5) . ?
C86 H86 0.9500 . ?
C87 C88 1.425(7) . ?
C87 H87 0.9500 . ?
C88 C89 1.347(6) . ?
C88 H88 0.9500 . ?
C89 C90 1.433(5) . ?
C89 H89 0.9500 . ?
C90 N7 1.324(5) . ?
C90 C91 1.457(6) . ?
C91 N8 1.345(5) . ?
C92 N8 1.342(4) . ?
C92 C108 1.420(5) . ?
C92 C93 1.444(5) . ?
C93 N7 1.357(5) . ?
C93 C94 1.416(5) . ?
C94 C95 1.421(5) . ?
C94 C106 1.430(5) . ?
C95 C96 1.202(6) . ?
C96 Si6A 1.837(7) . ?
C96 Si6 1.843(4) . ?
C106 N9 1.354(4) . ?
C106 C107 1.446(5) . ?
C107 N10 1.381(4) . ?
C107 C108 1.382(5) . ?
C108 C109 1.425(6) . ?
C109 C110 1.204(6) . ?
C110 Si7 1.847(5) . ?
C111 C112 1.521(7) . ?
C111 C113 1.529(8) . ?
C111 Si7 1.877(4) . ?
C111 H111 1.0000 . ?
C112 H11A 0.9800 . ?
C112 H11B 0.9800 . ?
C112 H11C 0.9800 . ?
C113 H11D 0.9800 . ?
C113 H11E 0.9800 . ?
C113 H11F 0.9800 . ?
C114 C115 1.520(7) . ?
C114 C116 1.542(6) . ?
C114 Si7 1.872(4) . ?
C114 H114 1.0000 . ?
C115 H11G 0.9800 . ?
C115 H11H 0.9800 . ?
C115 H11I 0.9800 . ?
C116 H11J 0.9800 . ?
C116 H11K 0.9800 . ?
C116 H11L 0.9800 . ?
C117 C119 1.536(7) . ?
C117 C118 1.560(8) . ?
C117 Si7 1.854(5) . ?
C117 H117 1.0000 . ?
C118 H11M 0.9800 . ?
C118 H11N 0.9800 . ?
C118 H11O 0.9800 . ?
C119 H11P 0.9800 . ?
C119 H11Q 0.9800 . ?
C119 H11R 0.9800 . ?
C120 N10 1.301(4) . ?
C120 C140 1.456(5) . ?
C120 C121 1.465(5) . ?
C121 N9 1.329(4) . ?
C121 C122 1.443(5) . ?
C122 C123 1.404(5) . ?
C122 C138 1.428(5) . ?
C123 C124 1.385(5) . ?
C123 H123 0.9500 . ?
C124 C136 1.389(5) . ?
C124 C125 1.450(6) . ?
C125 C126 1.217(6) . ?
C126 Si8B 1.826(7) . ?
C126 Si8 1.840(5) . ?
C136 C137 1.405(5) . ?
C136 H136 0.9500 . ?
C137 C138 1.393(4) . ?
C137 C171 1.460(4) 2_757 ?
C138 C139 1.453(5) . ?
C139 C155 1.415(5) . ?
C139 C140 1.418(5) . ?
C140 C141 1.409(5) . ?
C141 C142 1.405(5) . ?
C141 H141 0.9500 . ?
C142 C154 1.394(5) . ?
C142 C143 1.435(6) . ?
C143 C144 1.217(6) . ?
C144 Si9 1.838(5) . ?
C145 C147 1.535(7) . ?
C145 C146 1.550(7) . ?
C145 Si9 1.879(5) . ?
C145 H145 1.0000 . ?
C146 H14D 0.9800 . ?
C146 H14E 0.9800 . ?
C146 H14F 0.9800 . ?
C147 H14G 0.9800 . ?
C147 H14H 0.9800 . ?
C147 H14I 0.9800 . ?
C148 C149 1.516(7) . ?
C148 C150 1.534(7) . ?
C148 Si9 1.867(4) . ?
C148 H148 1.0000 . ?
C149 H14J 0.9800 . ?
C149 H14K 0.9800 . ?
C149 H14L 0.9800 . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
C151 C153 1.498(7) . ?
C151 C152 1.504(7) . ?
C151 Si9 1.891(5) . ?
C151 H151 1.0000 . ?
C152 H15D 0.9800 . ?
C152 H15E 0.9800 . ?
C152 H15F 0.9800 . ?
C153 H15G 0.9800 . ?
C153 H15H 0.9800 . ?
C153 H15I 0.9800 . ?
C154 C155 1.405(5) . ?
C154 H154 0.9500 . ?
C155 C156 1.444(5) . ?
C156 N11 1.333(4) . ?
C156 C171 1.450(5) 2_757 ?
C157 N11 1.341(4) . ?
C157 C158 1.435(5) . ?
C157 C170 1.445(5) 2_757 ?
C158 C170 1.370(4) . ?
C158 C159 1.419(5) . ?
C159 C160 1.205(6) . ?
C160 Si10 1.830(5) . ?
C160 Si1A 1.845(7) . ?
C170 N12 1.378(4) . ?
C170 C157 1.445(5) 2_757 ?
C171 N12 1.313(4) . ?
C171 C156 1.450(5) 2_757 ?
C171 C137 1.460(4) 2_757 ?
C172 C175 1.397(16) . ?
C172 O1 1.577(15) . ?
C173 C174 1.504(16) . ?
C173 O2 1.560(14) . ?
C174 O1 1.523(14) . ?
C175 O2 1.564(12) . ?
C176 O3 1.399(7) . ?
C176 C179 1.456(10) . ?
C177 C178 1.491(9) . ?
C177 O3 1.495(7) . ?
C178 O4 1.432(8) . ?
C179 O4 1.522(8) . ?
C180 O5 1.381(13) . ?
C180 C183 1.437(14) . ?
C181 C182 1.472(14) . ?
C181 O5 1.475(14) . ?
C182 O6 1.410(13) . ?
C183 O6 1.550(15) . ?
Si2 C26 1.867(4) . ?
Si2 C32 1.872(5) . ?
Si2 C29 1.878(6) . ?
C26 C28 1.524(7) . ?
C26 C27 1.538(7) . ?
C26 H26 1.0000 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C31 1.475(7) . ?
C29 C30 1.504(8) . ?
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 C33 1.534(7) . ?
C32 C34 1.561(6) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
Si2A C26A 1.844(10) . ?
Si2A C32A 1.865(11) . ?
Si2A C29A 1.886(12) . ?
C26A C28A 1.533(15) . ?
C26A C27A 1.539(15) . ?
C26A H26A 1.0000 . ?
C27A H27D 0.9800 . ?
C27A H27E 0.9800 . ?
C27A H27F 0.9800 . ?
C28A H28D 0.9800 . ?
C28A H28E 0.9800 . ?
C28A H28F 0.9800 . ?
C29A C31A 1.494(14) . ?
C29A C30A 1.506(14) . ?
C29A H29A 1.0000 . ?
C30A H30D 0.9800 . ?
C30A H30E 0.9800 . ?
C30A H30F 0.9800 . ?
C31A H31D 0.9800 . ?
C31A H31E 0.9800 . ?
C31A H31F 0.9800 . ?
C32A C33A 1.514(15) . ?
C32A C34A 1.537(15) . ?
C32A H32A 1.0000 . ?
C33A H33D 0.9800 . ?
C33A H33E 0.9800 . ?
C33A H33F 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
Si5 C83 1.861(7) . ?
Si5 C80 1.863(8) . ?
Si5 C77 1.898(7) . ?
C77 C79 1.424(11) . ?
C77 C78 1.824(12) . ?
C77 H77 1.0000 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 C81 1.510(10) . ?
C80 C82 1.595(10) . ?
C80 H80 1.0000 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 C85 1.356(9) . ?
C83 C84 1.501(10) . ?
C83 H83 1.0000 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 H85A 0.9500 . ?
C85 H85B 0.9500 . ?
Si5A C83A 1.844(7) . ?
Si5A C77A 1.878(8) . ?
Si5A C80A 1.883(9) . ?
C77A C79A 1.415(11) . ?
C77A C78A 1.837(12) . ?
C77A H77A 1.0000 . ?
C78A H78D 0.9800 . ?
C78A H78E 0.9800 . ?
C78A H78F 0.9800 . ?
C79A H79D 0.9800 . ?
C79A H79E 0.9800 . ?
C79A H79F 0.9800 . ?
C80A C81A 1.526(10) . ?
C80A C82A 1.589(11) . ?
C80A H80A 1.0000 . ?
C81A H81D 0.9800 . ?
C81A H81E 0.9800 . ?
C81A H81F 0.9800 . ?
C82A H82D 0.9800 . ?
C82A H82E 0.9800 . ?
C82A H82F 0.9800 . ?
C83A C85A 1.354(11) . ?
C83A C84A 1.484(12) . ?
C83A H83A 1.0000 . ?
C84A H84D 0.9800 . ?
C84A H84E 0.9800 . ?
C84A H84F 0.9800 . ?
C85A H85C 0.9500 . ?
C85A H85D 0.9500 . ?
Si6 C103 1.848(5) . ?
Si6 C97 1.862(5) . ?
Si6 C100 1.880(6) . ?
C97 C98 1.472(8) . ?
C97 C99 1.551(7) . ?
C97 H97 1.0000 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C102 1.490(7) . ?
C100 C101 1.591(8) . ?
C100 H100 1.0000 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 C104 1.528(7) . ?
C103 C105 1.591(7) . ?
C103 H103 1.0000 . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 H10J 0.9800 . ?
C105 H10K 0.9800 . ?
C105 H10L 0.9800 . ?
Si6A C97A 1.840(10) . ?
Si6A C3A 1.854(10) . ?
Si6A C10A 1.882(11) . ?
C97A C98A 1.475(15) . ?
C97A C99A 1.549(14) . ?
C97A H97A 1.0000 . ?
C98A H98D 0.9800 . ?
C98A H98E 0.9800 . ?
C98A H98F 0.9800 . ?
C99A H99D 0.9800 . ?
C99A H99E 0.9800 . ?
C99A H99F 0.9800 . ?
C10A C2A 1.489(15) . ?
C10A C1A 1.602(14) . ?
C10A H10M 1.0000 . ?
C1A H1A1 0.9800 . ?
C1A H1A2 0.9800 . ?
C1A H1A3 0.9800 . ?
C2A H2A1 0.9800 . ?
C2A H2A2 0.9800 . ?
C2A H2A3 0.9800 . ?
C3A C4A 1.523(13) . ?
C3A C5A 1.603(14) . ?
C3A H3A 1.0000 . ?
C4A H4A1 0.9800 . ?
C4A H4A2 0.9800 . ?
C4A H4A3 0.9800 . ?
C5A H5A1 0.9800 . ?
C5A H5A2 0.9800 . ?
C5A H5A3 0.9800 . ?
Si8 C127 1.825(5) . ?
Si8 C133 1.843(6) . ?
Si8 C130 1.873(6) . ?
C127 C129 1.521(8) . ?
C127 C128 1.654(8) . ?
C127 H127 1.0000 . ?
C128 H12A 0.9800 . ?
C128 H12B 0.9800 . ?
C128 H12C 0.9800 . ?
C129 H12D 0.9800 . ?
C129 H12E 0.9800 . ?
C129 H12F 0.9800 . ?
C130 C132 1.471(9) . ?
C130 C131 1.584(8) . ?
C130 H130 1.0000 . ?
C131 H13D 0.9800 . ?
C131 H13E 0.9800 . ?
C131 H13F 0.9800 . ?
C132 H13G 0.9800 . ?
C132 H13H 0.9800 . ?
C132 H13I 0.9800 . ?
C133 C134 1.504(9) . ?
C133 C135 1.573(10) . ?
C133 H133 1.0000 . ?
C134 H13J 0.9800 . ?
C134 H13K 0.9800 . ?
C134 H13L 0.9800 . ?
C135 H13M 0.9800 . ?
C135 H13N 0.9800 . ?
C135 H13O 0.9800 . ?
Si8B C27B 1.806(9) . ?
Si8B C30B 1.858(10) . ?
Si8B C33B 1.868(10) . ?
C27B C29B 1.526(14) . ?
C27B C28B 1.655(14) . ?
C27B H27G 1.0000 . ?
C28B H28G 0.9800 . ?
C28B H28H 0.9800 . ?
C28B H28I 0.9800 . ?
C29B H29B 0.9800 . ?
C29B H29C 0.9800 . ?
C29B H29D 0.9800 . ?
C30B C32B 1.434(12) . ?
C30B C31B 1.581(15) . ?
C30B H30G 1.0000 . ?
C31B H31G 0.9800 . ?
C31B H31H 0.9800 . ?
C31B H31I 0.9800 . ?
C32B H32B 0.9800 . ?
C32B H32C 0.9800 . ?
C32B H32D 0.9800 . ?
C33B C34B 1.541(15) . ?
C33B C35B 1.646(14) . ?
C33B H33G 1.0000 . ?
C34B H34G 0.9800 . ?
C34B H34H 0.9800 . ?
C34B H34I 0.9800 . ?
C35B H35A 0.9800 . ?
C35B H35B 0.9800 . ?
C35B H35C 0.9800 . ?
Si10 C164 1.841(6) . ?
Si10 C161 1.841(6) . ?
Si10 C167 1.894(6) . ?
C161 C163 1.472(10) . ?
C161 C162 1.507(8) . ?
C161 H161 1.0000 . ?
C162 H16D 0.9800 . ?
C162 H16E 0.9800 . ?
C162 H16F 0.9800 . ?
C163 H16G 0.9800 . ?
C163 H16H 0.9800 . ?
C163 H16I 0.9800 . ?
C164 C166 1.515(8) . ?
C164 C165 1.532(8) . ?
C164 H164 1.0000 . ?
C165 H16J 0.9800 . ?
C165 H16K 0.9800 . ?
C165 H16L 0.9800 . ?
C166 H16M 0.9800 . ?
C166 H16N 0.9800 . ?
C166 H16O 0.9800 . ?
C167 C169 1.451(9) . ?
C167 C168 1.598(9) . ?
C167 H167 1.0000 . ?
C168 H16P 0.9800 . ?
C168 H16Q 0.9800 . ?
C168 H16R 0.9800 . ?
C169 H16S 0.9800 . ?
C169 H16T 0.9800 . ?
C169 H16U 0.9800 . ?
Si1A C64A 1.846(11) . ?
Si1A C61A 1.849(10) . ?
Si1A C67A 1.884(10) . ?
C61A C63A 1.467(15) . ?
C61A C62A 1.524(13) . ?
C61A H61A 1.0000 . ?
C62A H62A 0.9800 . ?
C62A H62B 0.9800 . ?
C62A H62C 0.9800 . ?
C63A H63A 0.9800 . ?
C63A H63B 0.9800 . ?
C63A H63C 0.9800 . ?
C64A C66A 1.505(13) . ?
C64A C65A 1.535(14) . ?
C64A H64D 1.0000 . ?
C65A H65D 0.9800 . ?
C65A H65E 0.9800 . ?
C65A H65F 0.9800 . ?
C66A H66A 0.9800 . ?
C66A H66B 0.9800 . ?
C66A H66C 0.9800 . ?
C67A C69A 1.449(15) . ?
C67A C68A 1.588(13) . ?
C67A H67D 1.0000 . ?
C68A H68D 0.9800 . ?
C68A H68E 0.9800 . ?
C68A H68F 0.9800 . ?
C69A H69A 0.9800 . ?
C69A H69B 0.9800 . ?
C69A H69C 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
C2 C1 C6 120.1(4) . . ?
C2 C1 H1 120.0 . . ?
C6 C1 H1 120.0 . . ?
C1 C2 C3 120.4(4) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 121.7(4) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C3 C4 C5 120.2(5) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
N1 C5 C6 122.8(4) . . ?
N1 C5 C4 119.5(4) . . ?
C6 C5 C4 117.6(3) . . ?
N2 C6 C1 118.8(4) . . ?
N2 C6 C5 121.2(3) . . ?
C1 C6 C5 120.0(4) . . ?
N2 C7 C23 118.7(4) . . ?
N2 C7 C8 122.2(4) . . ?
C23 C7 C8 119.1(3) . . ?
N1 C8 C9 119.6(4) . . ?
N1 C8 C7 119.2(3) . . ?
C9 C8 C7 121.2(3) . . ?
C8 C9 C21 119.6(4) . . ?
C8 C9 C10 120.8(3) . . ?
C21 C9 C10 119.6(3) . . ?
C11 C10 C9 179.4(4) . . ?
C10 C11 Si1 177.0(4) . . ?
C14 C12 C13 109.1(4) . . ?
C14 C12 Si1 112.1(3) . . ?
C13 C12 Si1 114.0(3) . . ?
C14 C12 H12 107.1 . . ?
C13 C12 H12 107.1 . . ?
Si1 C12 H12 107.1 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C17 109.3(4) . . ?
C16 C15 Si1 115.6(4) . . ?
C17 C15 Si1 113.1(3) . . ?
C16 C15 H15 106.0 . . ?
C17 C15 H15 106.0 . . ?
Si1 C15 H15 106.0 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C20 110.1(3) . . ?
C19 C18 Si1 113.6(3) . . ?
C20 C18 Si1 113.9(3) . . ?
C19 C18 H18 106.2 . . ?
C20 C18 H18 106.2 . . ?
Si1 C18 H18 106.2 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 C9 119.5(3) . . ?
N3 C21 C22 120.9(3) . . ?
C9 C21 C22 119.6(3) . . ?
N4 C22 C23 118.8(3) . . ?
N4 C22 C21 120.0(3) . . ?
C23 C22 C21 121.1(3) . . ?
C22 C23 C7 119.3(4) . . ?
C22 C23 C24 121.3(3) . . ?
C7 C23 C24 119.3(3) . . ?
C25 C24 C23 173.0(5) . . ?
C24 C25 Si2A 168.6(5) . . ?
C24 C25 Si2 171.6(4) . . ?
N4 C35 C35P 122.1(3) . . ?
N4 C35 C60 118.2(3) . . ?
C35P C35 C60 119.7(3) . . ?
N3 C35P C35 121.2(3) . . ?
N3 C35P C36 119.1(3) . . ?
C35 C35P C36 119.6(3) . . ?
C52 C36 C37 118.9(3) . . ?
C52 C36 C35P 120.6(4) . . ?
C37 C36 C35P 120.5(3) . . ?
C38 C37 C36 120.3(4) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
C37 C38 C50 119.3(4) . . ?
C37 C38 C39 121.9(4) . . ?
C50 C38 C39 118.6(4) . . ?
C40 C39 C38 175.1(5) . . ?
C39 C40 Si3 172.8(5) . . ?
C42 C41 C43 111.0(4) . . ?
C42 C41 Si3 110.8(3) . . ?
C43 C41 Si3 111.1(3) . . ?
C42 C41 H41 107.9 . . ?
C43 C41 H41 107.9 . . ?
Si3 C41 H41 107.9 . . ?
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 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C46 110.2(4) . . ?
C45 C44 Si3 112.1(3) . . ?
C46 C44 Si3 115.0(4) . . ?
C45 C44 H44 106.3 . . ?
C46 C44 H44 106.3 . . ?
Si3 C44 H44 106.3 . . ?
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 . . ?
C48 C47 C49 108.9(5) . . ?
C48 C47 Si3 115.7(4) . . ?
C49 C47 Si3 115.4(4) . . ?
C48 C47 H47 105.2 . . ?
C49 C47 H47 105.2 . . ?
Si3 C47 H47 105.2 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 C38 120.6(4) . . ?
C51 C50 H50 119.7 . . ?
C38 C50 H50 119.7 . . ?
C52 C51 C50 120.1(4) . . ?
C52 C51 C56 121.1(4) . . ?
C50 C51 C56 118.8(3) . . ?
C51 C52 C36 120.4(4) . . ?
C51 C52 C53 119.4(3) . . ?
C36 C52 C53 120.2(3) . . ?
C54 C53 C60 119.8(4) . . ?
C54 C53 C52 120.3(3) . . ?
C60 C53 C52 119.8(3) . . ?
C57 C54 C53 119.6(3) . . ?
C57 C54 C55 121.0(3) . . ?
C53 C54 C55 119.5(4) . . ?
N6 C55 C56 120.5(3) . . ?
N6 C55 C54 119.1(4) . . ?
C56 C55 C54 120.4(3) . . ?
N5 C56 C55 123.3(4) . . ?
N5 C56 C51 118.0(4) . . ?
C55 C56 C51 118.7(3) . . ?
C58 C57 C54 120.8(3) . . ?
C58 C57 H57 119.6 . . ?
C54 C57 H57 119.6 . . ?
C57 C58 C59 119.6(4) . . ?
C57 C58 C61 119.7(3) . . ?
C59 C58 C61 120.8(3) . . ?
C60 C59 C58 120.0(3) . . ?
C60 C59 H59 120.0 . . ?
C58 C59 H59 120.0 . . ?
C59 C60 C53 120.1(3) . . ?
C59 C60 C35 120.3(3) . . ?
C53 C60 C35 119.5(3) . . ?
C62 C61 C58 177.1(4) . . ?
C61 C62 Si4 174.3(3) . . ?
C65 C63 C64 110.6(5) . . ?
C65 C63 Si4 115.9(3) . . ?
C64 C63 Si4 114.7(3) . . ?
C65 C63 H63 104.8 . . ?
C64 C63 H63 104.8 . . ?
Si4 C63 H63 104.8 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C67 C66 C68 110.7(5) . . ?
C67 C66 Si4 112.3(3) . . ?
C68 C66 Si4 111.6(3) . . ?
C67 C66 H66 107.3 . . ?
C68 C66 H66 107.3 . . ?
Si4 C66 H66 107.3 . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C66 C68 H68A 109.5 . . ?
C66 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C66 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C71 C69 C70 108.6(4) . . ?
C71 C69 Si4 117.2(3) . . ?
C70 C69 Si4 113.2(3) . . ?
C71 C69 H69 105.6 . . ?
C70 C69 H69 105.6 . . ?
Si4 C69 H69 105.6 . . ?
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 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N5 C72 C74 118.5(4) . 2_676 ?
N5 C72 C73 120.2(3) . . ?
C74 C72 C73 121.2(3) 2_676 . ?
N6 C73 C74 119.3(4) . . ?
N6 C73 C72 120.2(3) . . ?
C74 C73 C72 120.4(3) . . ?
C75 C74 C73 122.0(3) . . ?
C75 C74 C72 119.7(3) . 2_676 ?
C73 C74 C72 118.3(4) . 2_676 ?
C76 C75 C74 176.2(5) . . ?
C75 C76 Si5 176.3(4) . . ?
C75 C76 Si5A 176.5(4) . . ?
C87 C86 C91 120.1(4) . . ?
C87 C86 H86 119.9 . . ?
C91 C86 H86 119.9 . . ?
C86 C87 C88 120.5(4) . . ?
C86 C87 H87 119.7 . . ?
C88 C87 H87 119.7 . . ?
C89 C88 C87 121.8(4) . . ?
C89 C88 H88 119.1 . . ?
C87 C88 H88 119.1 . . ?
C88 C89 C90 120.3(4) . . ?
C88 C89 H89 119.8 . . ?
C90 C89 H89 119.8 . . ?
N7 C90 C89 120.1(4) . . ?
N7 C90 C91 121.9(3) . . ?
C89 C90 C91 118.1(3) . . ?
N8 C91 C86 120.0(4) . . ?
N8 C91 C90 120.9(3) . . ?
C86 C91 C90 119.1(4) . . ?
N8 C92 C108 119.4(3) . . ?
N8 C92 C93 121.5(3) . . ?
C108 C92 C93 119.1(3) . . ?
N7 C93 C94 117.1(3) . . ?
N7 C93 C92 121.2(3) . . ?
C94 C93 C92 121.7(3) . . ?
C93 C94 C95 120.8(3) . . ?
C93 C94 C106 118.0(3) . . ?
C95 C94 C106 121.2(3) . . ?
C96 C95 C94 173.7(5) . . ?
C95 C96 Si6A 174.6(4) . . ?
C95 C96 Si6 172.5(4) . . ?
N9 C106 C94 118.6(3) . . ?
N9 C106 C107 121.8(3) . . ?
C94 C106 C107 119.5(3) . . ?
N10 C107 C108 118.7(3) . . ?
N10 C107 C106 119.5(3) . . ?
C108 C107 C106 121.8(3) . . ?
C107 C108 C92 119.7(3) . . ?
C107 C108 C109 121.7(3) . . ?
C92 C108 C109 118.5(3) . . ?
C110 C109 C108 174.0(4) . . ?
C109 C110 Si7 171.5(4) . . ?
C112 C111 C113 108.7(5) . . ?
C112 C111 Si7 112.5(3) . . ?
C113 C111 Si7 111.9(3) . . ?
C112 C111 H111 107.9 . . ?
C113 C111 H111 107.9 . . ?
Si7 C111 H111 107.9 . . ?
C111 C112 H11A 109.5 . . ?
C111 C112 H11B 109.5 . . ?
H11A C112 H11B 109.5 . . ?
C111 C112 H11C 109.5 . . ?
H11A C112 H11C 109.5 . . ?
H11B C112 H11C 109.5 . . ?
C111 C113 H11D 109.5 . . ?
C111 C113 H11E 109.5 . . ?
H11D C113 H11E 109.5 . . ?
C111 C113 H11F 109.5 . . ?
H11D C113 H11F 109.5 . . ?
H11E C113 H11F 109.5 . . ?
C115 C114 C116 111.8(4) . . ?
C115 C114 Si7 112.9(3) . . ?
C116 C114 Si7 113.4(3) . . ?
C115 C114 H114 106.0 . . ?
C116 C114 H114 106.0 . . ?
Si7 C114 H114 106.0 . . ?
C114 C115 H11G 109.5 . . ?
C114 C115 H11H 109.5 . . ?
H11G C115 H11H 109.5 . . ?
C114 C115 H11I 109.5 . . ?
H11G C115 H11I 109.5 . . ?
H11H C115 H11I 109.5 . . ?
C114 C116 H11J 109.5 . . ?
C114 C116 H11K 109.5 . . ?
H11J C116 H11K 109.5 . . ?
C114 C116 H11L 109.5 . . ?
H11J C116 H11L 109.5 . . ?
H11K C116 H11L 109.5 . . ?
C119 C117 C118 108.3(4) . . ?
C119 C117 Si7 114.7(4) . . ?
C118 C117 Si7 117.0(4) . . ?
C119 C117 H117 105.2 . . ?
C118 C117 H117 105.2 . . ?
Si7 C117 H117 105.2 . . ?
C117 C118 H11M 109.5 . . ?
C117 C118 H11N 109.5 . . ?
H11M C118 H11N 109.5 . . ?
C117 C118 H11O 109.5 . . ?
H11M C118 H11O 109.5 . . ?
H11N C118 H11O 109.5 . . ?
C117 C119 H11P 109.5 . . ?
C117 C119 H11Q 109.5 . . ?
H11P C119 H11Q 109.5 . . ?
C117 C119 H11R 109.5 . . ?
H11P C119 H11R 109.5 . . ?
H11Q C119 H11R 109.5 . . ?
N10 C120 C140 119.6(3) . . ?
N10 C120 C121 122.2(3) . . ?
C140 C120 C121 118.1(3) . . ?
N9 C121 C122 119.0(3) . . ?
N9 C121 C120 120.8(3) . . ?
C122 C121 C120 120.2(3) . . ?
C123 C122 C138 118.6(3) . . ?
C123 C122 C121 120.7(3) . . ?
C138 C122 C121 120.6(3) . . ?
C124 C123 C122 121.1(3) . . ?
C124 C123 H123 119.5 . . ?
C122 C123 H123 119.5 . . ?
C123 C124 C136 120.0(4) . . ?
C123 C124 C125 120.0(3) . . ?
C136 C124 C125 119.9(3) . . ?
C126 C125 C124 177.6(5) . . ?
C125 C126 Si8B 173.3(4) . . ?
C125 C126 Si8 170.1(4) . . ?
C124 C136 C137 120.5(3) . . ?
C124 C136 H136 119.8 . . ?
C137 C136 H136 119.8 . . ?
C138 C137 C136 120.0(3) . . ?
C138 C137 C171 120.9(3) . 2_757 ?
C136 C137 C171 119.1(3) . 2_757 ?
C137 C138 C122 119.7(3) . . ?
C137 C138 C139 120.9(3) . . ?
C122 C138 C139 119.3(3) . . ?
C155 C139 C140 120.0(3) . . ?
C155 C139 C138 119.4(3) . . ?
C140 C139 C138 120.7(3) . . ?
C141 C140 C139 119.5(3) . . ?
C141 C140 C120 119.5(3) . . ?
C139 C140 C120 120.9(3) . . ?
C142 C141 C140 120.6(3) . . ?
C142 C141 H141 119.7 . . ?
C140 C141 H141 119.7 . . ?
C154 C142 C141 119.3(3) . . ?
C154 C142 C143 118.2(3) . . ?
C141 C142 C143 122.4(3) . . ?
C144 C143 C142 174.9(4) . . ?
C143 C144 Si9 170.6(4) . . ?
C147 C145 C146 109.9(5) . . ?
C147 C145 Si9 112.0(3) . . ?
C146 C145 Si9 113.4(3) . . ?
C147 C145 H145 107.0 . . ?
C146 C145 H145 107.0 . . ?
Si9 C145 H145 107.0 . . ?
C145 C146 H14D 109.5 . . ?
C145 C146 H14E 109.5 . . ?
H14D C146 H14E 109.5 . . ?
C145 C146 H14F 109.5 . . ?
H14D C146 H14F 109.5 . . ?
H14E C146 H14F 109.5 . . ?
C145 C147 H14G 109.5 . . ?
C145 C147 H14H 109.5 . . ?
H14G C147 H14H 109.5 . . ?
C145 C147 H14I 109.5 . . ?
H14G C147 H14I 109.5 . . ?
H14H C147 H14I 109.5 . . ?
C149 C148 C150 111.5(4) . . ?
C149 C148 Si9 115.2(3) . . ?
C150 C148 Si9 116.9(3) . . ?
C149 C148 H148 103.8 . . ?
C150 C148 H148 103.8 . . ?
Si9 C148 H148 103.8 . . ?
C148 C149 H14J 109.5 . . ?
C148 C149 H14K 109.5 . . ?
H14J C149 H14K 109.5 . . ?
C148 C149 H14L 109.5 . . ?
H14J C149 H14L 109.5 . . ?
H14K C149 H14L 109.5 . . ?
C148 C150 H15A 109.5 . . ?
C148 C150 H15B 109.5 . . ?
H15A C150 H15B 109.5 . . ?
C148 C150 H15C 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
C153 C151 C152 112.7(5) . . ?
C153 C151 Si9 112.2(3) . . ?
C152 C151 Si9 113.5(3) . . ?
C153 C151 H151 105.9 . . ?
C152 C151 H151 105.9 . . ?
Si9 C151 H151 105.9 . . ?
C151 C152 H15D 109.5 . . ?
C151 C152 H15E 109.5 . . ?
H15D C152 H15E 109.5 . . ?
C151 C152 H15F 109.5 . . ?
H15D C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C151 C153 H15G 109.5 . . ?
C151 C153 H15H 109.5 . . ?
H15G C153 H15H 109.5 . . ?
C151 C153 H15I 109.5 . . ?
H15G C153 H15I 109.5 . . ?
H15H C153 H15I 109.5 . . ?
C142 C154 C155 121.6(3) . . ?
C142 C154 H154 119.2 . . ?
C155 C154 H154 119.2 . . ?
C154 C155 C139 119.0(3) . . ?
C154 C155 C156 120.8(3) . . ?
C139 C155 C156 120.2(3) . . ?
N11 C156 C155 118.5(3) . . ?
N11 C156 C171 121.1(3) . 2_757 ?
C155 C156 C171 120.3(3) . 2_757 ?
N11 C157 C158 119.4(3) . . ?
N11 C157 C170 122.5(3) . 2_757 ?
C158 C157 C170 118.2(3) . 2_757 ?
C170 C158 C159 122.5(3) . . ?
C170 C158 C157 119.3(3) . . ?
C159 C158 C157 118.2(3) . . ?
C160 C159 C158 175.0(5) . . ?
C159 C160 Si10 171.9(4) . . ?
C159 C160 Si1A 175.4(5) . . ?
C158 C170 N12 118.7(3) . . ?
C158 C170 C157 122.4(3) . 2_757 ?
N12 C170 C157 118.9(3) . 2_757 ?
N12 C171 C156 121.8(3) . 2_757 ?
N12 C171 C137 120.5(3) . 2_757 ?
C156 C171 C137 117.7(3) 2_757 2_757 ?
C175 C172 O1 109.6(10) . . ?
C174 C173 O2 101.1(9) . . ?
C173 C174 O1 109.8(10) . . ?
C172 C175 O2 108.7(10) . . ?
C174 O1 C172 108.2(9) . . ?
C173 O2 C175 121.6(8) . . ?
O3 C176 C179 109.2(6) . . ?
C178 C177 O3 108.3(5) . . ?
O4 C178 C177 107.8(6) . . ?
C176 C179 O4 110.9(5) . . ?
C176 O3 C177 113.6(5) . . ?
C178 O4 C179 110.8(5) . . ?
O5 C180 C183 108.4(11) . . ?
C182 C181 O5 105.5(11) . . ?
O6 C182 C181 103.5(11) . . ?
C180 C183 O6 103.1(11) . . ?
C180 O5 C181 124.5(11) . . ?
C182 O6 C183 111.5(12) . . ?
C5 N1 C8 117.5(4) . . ?
C6 N2 C7 117.1(4) . . ?
C35P N3 C21 118.2(3) . . ?
C35 N4 C22 117.5(3) . . ?
C56 N5 C72 117.3(4) . . ?
C55 N6 C73 117.6(3) . . ?
C90 N7 C93 117.2(3) . . ?
C92 N8 C91 117.3(3) . . ?
C121 N9 C106 117.6(3) . . ?
C120 N10 C107 118.0(3) . . ?
C156 N11 C157 117.3(3) . . ?
C171 N12 C170 118.2(3) . . ?
C11 Si1 C12 108.81(19) . . ?
C11 Si1 C15 105.3(2) . . ?
C12 Si1 C15 110.4(2) . . ?
C11 Si1 C18 106.5(2) . . ?
C12 Si1 C18 108.63(19) . . ?
C15 Si1 C18 116.82(19) . . ?
C25 Si2 C26 105.9(2) . . ?
C25 Si2 C32 108.0(2) . . ?
C26 Si2 C32 112.1(2) . . ?
C25 Si2 C29 104.5(2) . . ?
C26 Si2 C29 110.2(2) . . ?
C32 Si2 C29 115.4(2) . . ?
C28 C26 C27 108.5(4) . . ?
C28 C26 Si2 111.6(3) . . ?
C27 C26 Si2 111.7(3) . . ?
C28 C26 H26 108.3 . . ?
C27 C26 H26 108.3 . . ?
Si2 C26 H26 108.3 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 C30 112.5(5) . . ?
C31 C29 Si2 116.7(4) . . ?
C30 C29 Si2 113.7(4) . . ?
C31 C29 H29 104.0 . . ?
C30 C29 H29 104.0 . . ?
Si2 C29 H29 104.0 . . ?
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 . . ?
C33 C32 C34 112.0(4) . . ?
C33 C32 Si2 112.9(4) . . ?
C34 C32 Si2 112.8(3) . . ?
C33 C32 H32 106.2 . . ?
C34 C32 H32 106.2 . . ?
Si2 C32 H32 106.2 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C25 Si2A C26A 105.6(5) . . ?
C25 Si2A C32A 98.6(5) . . ?
C26A Si2A C32A 115.8(6) . . ?
C25 Si2A C29A 108.3(6) . . ?
C26A Si2A C29A 114.9(6) . . ?
C32A Si2A C29A 111.9(6) . . ?
C28A C26A C27A 104.5(14) . . ?
C28A C26A Si2A 112.1(10) . . ?
C27A C26A Si2A 113.2(8) . . ?
C28A C26A H26A 109.0 . . ?
C27A C26A H26A 109.0 . . ?
Si2A C26A H26A 109.0 . . ?
C26A C27A H27D 109.5 . . ?
C26A C27A H27E 109.5 . . ?
H27D C27A H27E 109.5 . . ?
C26A C27A H27F 109.5 . . ?
H27D C27A H27F 109.5 . . ?
H27E C27A H27F 109.5 . . ?
C26A C28A H28D 109.5 . . ?
C26A C28A H28E 109.5 . . ?
H28D C28A H28E 109.5 . . ?
C26A C28A H28F 109.5 . . ?
H28D C28A H28F 109.5 . . ?
H28E C28A H28F 109.5 . . ?
C31A C29A C30A 108.7(14) . . ?
C31A C29A Si2A 113.1(12) . . ?
C30A C29A Si2A 114.2(13) . . ?
C31A C29A H29A 106.8 . . ?
C30A C29A H29A 106.8 . . ?
Si2A C29A H29A 106.8 . . ?
C29A C30A H30D 109.5 . . ?
C29A C30A H30E 109.5 . . ?
H30D C30A H30E 109.5 . . ?
C29A C30A H30F 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?
C29A C31A H31D 109.5 . . ?
C29A C31A H31E 109.5 . . ?
H31D C31A H31E 109.5 . . ?
C29A C31A H31F 109.5 . . ?
H31D C31A H31F 109.5 . . ?
H31E C31A H31F 109.5 . . ?
C33A C32A C34A 121.1(12) . . ?
C33A C32A Si2A 114.7(9) . . ?
C34A C32A Si2A 116.0(10) . . ?
C33A C32A H32A 99.6 . . ?
C34A C32A H32A 99.6 . . ?
Si2A C32A H32A 99.6 . . ?
C32A C33A H33D 109.5 . . ?
C32A C33A H33E 109.5 . . ?
H33D C33A H33E 109.5 . . ?
C32A C33A H33F 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C32A C34A H34D 109.5 . . ?
C32A C34A H34E 109.5 . . ?
H34D C34A H34E 109.5 . . ?
C32A C34A H34F 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C40 Si3 C47 107.4(2) . . ?
C40 Si3 C44 105.3(2) . . ?
C47 Si3 C44 117.5(2) . . ?
C40 Si3 C41 108.0(2) . . ?
C47 Si3 C41 108.7(2) . . ?
C44 Si3 C41 109.6(2) . . ?
C62 Si4 C69 105.54(19) . . ?
C62 Si4 C66 110.2(2) . . ?
C69 Si4 C66 109.1(2) . . ?
C62 Si4 C63 107.9(2) . . ?
C69 Si4 C63 115.4(2) . . ?
C66 Si4 C63 108.6(2) . . ?
C76 Si5 C83 112.1(3) . . ?
C76 Si5 C80 105.9(3) . . ?
C83 Si5 C80 113.0(4) . . ?
C76 Si5 C77 102.8(3) . . ?
C83 Si5 C77 109.7(4) . . ?
C80 Si5 C77 112.8(3) . . ?
C79 C77 C78 105.3(7) . . ?
C79 C77 Si5 110.5(6) . . ?
C78 C77 Si5 97.7(5) . . ?
C79 C77 H77 114.0 . . ?
C78 C77 H77 114.0 . . ?
Si5 C77 H77 114.0 . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C81 C80 C82 109.2(7) . . ?
C81 C80 Si5 113.3(6) . . ?
C82 C80 Si5 111.2(6) . . ?
C81 C80 H80 107.6 . . ?
C82 C80 H80 107.6 . . ?
Si5 C80 H80 107.6 . . ?
C80 C81 H81A 109.5 . . ?
C80 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C80 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C80 C82 H82A 109.5 . . ?
C80 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C80 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C85 C83 C84 119.0(7) . . ?
C85 C83 Si5 121.9(7) . . ?
C84 C83 Si5 113.8(5) . . ?
C85 C83 H83 97.7 . . ?
C84 C83 H83 97.7 . . ?
Si5 C83 H83 97.7 . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C83 C85 H85A 120.0 . . ?
C83 C85 H85B 120.0 . . ?
H85A C85 H85B 120.0 . . ?
C76 Si5A C83A 105.3(3) . . ?
C76 Si5A C77A 108.6(4) . . ?
C83A Si5A C77A 119.2(5) . . ?
C76 Si5A C80A 103.8(4) . . ?
C83A Si5A C80A 111.6(5) . . ?
C77A Si5A C80A 107.2(4) . . ?
C79A C77A C78A 104.9(9) . . ?
C79A C77A Si5A 117.8(7) . . ?
C78A C77A Si5A 104.1(6) . . ?
C79A C77A H77A 109.9 . . ?
C78A C77A H77A 109.9 . . ?
Si5A C77A H77A 109.9 . . ?
C77A C78A H78D 109.5 . . ?
C77A C78A H78E 109.5 . . ?
H78D C78A H78E 109.5 . . ?
C77A C78A H78F 109.5 . . ?
H78D C78A H78F 109.5 . . ?
H78E C78A H78F 109.5 . . ?
C77A C79A H79D 109.5 . . ?
C77A C79A H79E 109.5 . . ?
H79D C79A H79E 109.5 . . ?
C77A C79A H79F 109.5 . . ?
H79D C79A H79F 109.5 . . ?
H79E C79A H79F 109.5 . . ?
C81A C80A C82A 106.8(7) . . ?
C81A C80A Si5A 111.6(7) . . ?
C82A C80A Si5A 110.6(6) . . ?
C81A C80A H80A 109.3 . . ?
C82A C80A H80A 109.3 . . ?
Si5A C80A H80A 109.3 . . ?
C80A C81A H81D 109.5 . . ?
C80A C81A H81E 109.5 . . ?
H81D C81A H81E 109.5 . . ?
C80A C81A H81F 109.5 . . ?
H81D C81A H81F 109.5 . . ?
H81E C81A H81F 109.5 . . ?
C80A C82A H82D 109.5 . . ?
C80A C82A H82E 109.5 . . ?
H82D C82A H82E 109.5 . . ?
C80A C82A H82F 109.5 . . ?
H82D C82A H82F 109.5 . . ?
H82E C82A H82F 109.5 . . ?
C85A C83A C84A 107.4(8) . . ?
C85A C83A Si5A 127.3(8) . . ?
C84A C83A Si5A 123.3(6) . . ?
C85A C83A H83A 94.6 . . ?
C84A C83A H83A 94.6 . . ?
Si5A C83A H83A 94.6 . . ?
C83A C84A H84D 109.5 . . ?
C83A C84A H84E 109.5 . . ?
H84D C84A H84E 109.5 . . ?
C83A C84A H84F 109.5 . . ?
H84D C84A H84F 109.5 . . ?
H84E C84A H84F 109.5 . . ?
C83A C85A H85C 120.0 . . ?
C83A C85A H85D 120.0 . . ?
H85C C85A H85D 120.0 . . ?
C96 Si6 C103 104.1(2) . . ?
C96 Si6 C97 110.1(2) . . ?
C103 Si6 C97 111.1(2) . . ?
C96 Si6 C100 112.3(2) . . ?
C103 Si6 C100 114.9(2) . . ?
C97 Si6 C100 104.5(3) . . ?
C98 C97 C99 107.9(5) . . ?
C98 C97 Si6 115.3(4) . . ?
C99 C97 Si6 113.5(4) . . ?
C98 C97 H97 106.5 . . ?
C99 C97 H97 106.5 . . ?
Si6 C97 H97 106.5 . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C97 C99 H99A 109.5 . . ?
C97 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C97 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C102 C100 C101 112.8(5) . . ?
C102 C100 Si6 116.1(4) . . ?
C101 C100 Si6 111.2(4) . . ?
C102 C100 H100 105.2 . . ?
C101 C100 H100 105.2 . . ?
Si6 C100 H100 105.2 . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C100 C102 H10D 109.5 . . ?
C100 C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
C100 C102 H10F 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C104 C103 C105 108.7(4) . . ?
C104 C103 Si6 115.6(4) . . ?
C105 C103 Si6 110.7(4) . . ?
C104 C103 H103 107.1 . . ?
C105 C103 H103 107.1 . . ?
Si6 C103 H103 107.1 . . ?
C103 C104 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C103 C105 H10J 109.5 . . ?
C103 C105 H10K 109.5 . . ?
H10J C105 H10K 109.5 . . ?
C103 C105 H10L 109.5 . . ?
H10J C105 H10L 109.5 . . ?
H10K C105 H10L 109.5 . . ?
C96 Si6A C97A 111.5(5) . . ?
C96 Si6A C3A 115.0(5) . . ?
C97A Si6A C3A 110.9(5) . . ?
C96 Si6A C10A 99.1(5) . . ?
C97A Si6A C10A 107.6(6) . . ?
C3A Si6A C10A 112.0(5) . . ?
C98A C97A C99A 108.1(11) . . ?
C98A C97A Si6A 119.1(10) . . ?
C99A C97A Si6A 112.3(9) . . ?
C98A C97A H97A 105.4 . . ?
C99A C97A H97A 105.4 . . ?
Si6A C97A H97A 105.4 . . ?
C97A C98A H98D 109.5 . . ?
C97A C98A H98E 109.5 . . ?
H98D C98A H98E 109.5 . . ?
C97A C98A H98F 109.5 . . ?
H98D C98A H98F 109.5 . . ?
H98E C98A H98F 109.5 . . ?
C97A C99A H99D 109.5 . . ?
C97A C99A H99E 109.5 . . ?
H99D C99A H99E 109.5 . . ?
C97A C99A H99F 109.5 . . ?
H99D C99A H99F 109.5 . . ?
H99E C99A H99F 109.5 . . ?
C2A C10A C1A 112.5(11) . . ?
C2A C10A Si6A 120.7(10) . . ?
C1A C10A Si6A 111.0(9) . . ?
C2A C10A H10M 103.5 . . ?
C1A C10A H10M 103.5 . . ?
Si6A C10A H10M 103.5 . . ?
C10A C1A H1A1 109.5 . . ?
C10A C1A H1A2 109.5 . . ?
H1A1 C1A H1A2 109.5 . . ?
C10A C1A H1A3 109.5 . . ?
H1A1 C1A H1A3 109.5 . . ?
H1A2 C1A H1A3 109.5 . . ?
C10A C2A H2A1 109.5 . . ?
C10A C2A H2A2 109.5 . . ?
H2A1 C2A H2A2 109.5 . . ?
C10A C2A H2A3 109.5 . . ?
H2A1 C2A H2A3 109.5 . . ?
H2A2 C2A H2A3 109.5 . . ?
C4A C3A C5A 109.8(11) . . ?
C4A C3A Si6A 115.2(9) . . ?
C5A C3A Si6A 107.5(8) . . ?
C4A C3A H3A 108.0 . . ?
C5A C3A H3A 108.0 . . ?
Si6A C3A H3A 108.0 . . ?
C3A C4A H4A1 109.5 . . ?
C3A C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
C3A C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?
C3A C5A H5A1 109.5 . . ?
C3A C5A H5A2 109.5 . . ?
H5A1 C5A H5A2 109.5 . . ?
C3A C5A H5A3 109.5 . . ?
H5A1 C5A H5A3 109.5 . . ?
H5A2 C5A H5A3 109.5 . . ?
C110 Si7 C117 104.4(2) . . ?
C110 Si7 C114 108.9(2) . . ?
C117 Si7 C114 113.7(2) . . ?
C110 Si7 C111 106.8(2) . . ?
C117 Si7 C111 111.1(2) . . ?
C114 Si7 C111 111.4(2) . . ?
C127 Si8 C126 106.7(3) . . ?
C127 Si8 C133 113.6(3) . . ?
C126 Si8 C133 108.1(3) . . ?
C127 Si8 C130 111.6(3) . . ?
C126 Si8 C130 105.5(3) . . ?
C133 Si8 C130 111.0(3) . . ?
C129 C127 C128 110.8(5) . . ?
C129 C127 Si8 116.8(5) . . ?
C128 C127 Si8 111.5(3) . . ?
C129 C127 H127 105.6 . . ?
C128 C127 H127 105.6 . . ?
Si8 C127 H127 105.6 . . ?
C127 C128 H12A 109.5 . . ?
C127 C128 H12B 109.5 . . ?
H12A C128 H12B 109.5 . . ?
C127 C128 H12C 109.5 . . ?
H12A C128 H12C 109.5 . . ?
H12B C128 H12C 109.5 . . ?
C127 C129 H12D 109.5 . . ?
C127 C129 H12E 109.5 . . ?
H12D C129 H12E 109.5 . . ?
C127 C129 H12F 109.5 . . ?
H12D C129 H12F 109.5 . . ?
H12E C129 H12F 109.5 . . ?
C132 C130 C131 109.1(6) . . ?
C132 C130 Si8 115.7(5) . . ?
C131 C130 Si8 110.0(5) . . ?
C132 C130 H130 107.2 . . ?
C131 C130 H130 107.2 . . ?
Si8 C130 H130 107.2 . . ?
C130 C131 H13D 109.5 . . ?
C130 C131 H13E 109.5 . . ?
H13D C131 H13E 109.5 . . ?
C130 C131 H13F 109.5 . . ?
H13D C131 H13F 109.5 . . ?
H13E C131 H13F 109.5 . . ?
C130 C132 H13G 109.5 . . ?
C130 C132 H13H 109.5 . . ?
H13G C132 H13H 109.5 . . ?
C130 C132 H13I 109.5 . . ?
H13G C132 H13I 109.5 . . ?
H13H C132 H13I 109.5 . . ?
C134 C133 C135 110.9(6) . . ?
C134 C133 Si8 112.6(5) . . ?
C135 C133 Si8 115.7(4) . . ?
C134 C133 H133 105.6 . . ?
C135 C133 H133 105.6 . . ?
Si8 C133 H133 105.6 . . ?
C133 C134 H13J 109.5 . . ?
C133 C134 H13K 109.5 . . ?
H13J C134 H13K 109.5 . . ?
C133 C134 H13L 109.5 . . ?
H13J C134 H13L 109.5 . . ?
H13K C134 H13L 109.5 . . ?
C133 C135 H13M 109.5 . . ?
C133 C135 H13N 109.5 . . ?
H13M C135 H13N 109.5 . . ?
C133 C135 H13O 109.5 . . ?
H13M C135 H13O 109.5 . . ?
H13N C135 H13O 109.5 . . ?
C27B Si8B C126 108.6(5) . . ?
C27B Si8B C30B 115.9(7) . . ?
C126 Si8B C30B 108.3(5) . . ?
C27B Si8B C33B 115.0(5) . . ?
C126 Si8B C33B 102.9(5) . . ?
C30B Si8B C33B 105.2(5) . . ?
C29B C27B C28B 110.6(11) . . ?
C29B C27B Si8B 115.1(8) . . ?
C28B C27B Si8B 115.7(8) . . ?
C29B C27B H27G 104.7 . . ?
C28B C27B H27G 104.7 . . ?
Si8B C27B H27G 104.7 . . ?
C27B C28B H28G 109.5 . . ?
C27B C28B H28H 109.5 . . ?
H28G C28B H28H 109.5 . . ?
C27B C28B H28I 109.5 . . ?
H28G C28B H28I 109.5 . . ?
H28H C28B H28I 109.5 . . ?
C27B C29B H29B 109.5 . . ?
C27B C29B H29C 109.5 . . ?
H29B C29B H29C 109.5 . . ?
C27B C29B H29D 109.5 . . ?
H29B C29B H29D 109.5 . . ?
H29C C29B H29D 109.5 . . ?
C32B C30B C31B 114.1(13) . . ?
C32B C30B Si8B 123.5(9) . . ?
C31B C30B Si8B 110.1(8) . . ?
C32B C30B H30G 101.8 . . ?
C31B C30B H30G 101.8 . . ?
Si8B C30B H30G 101.8 . . ?
C30B C31B H31G 109.5 . . ?
C30B C31B H31H 109.5 . . ?
H31G C31B H31H 109.5 . . ?
C30B C31B H31I 109.5 . . ?
H31G C31B H31I 109.5 . . ?
H31H C31B H31I 109.5 . . ?
C30B C32B H32B 109.5 . . ?
C30B C32B H32C 109.5 . . ?
H32B C32B H32C 109.5 . . ?
C30B C32B H32D 109.5 . . ?
H32B C32B H32D 109.5 . . ?
H32C C32B H32D 109.5 . . ?
C34B C33B C35B 97.0(10) . . ?
C34B C33B Si8B 109.8(9) . . ?
C35B C33B Si8B 105.6(9) . . ?
C34B C33B H33G 114.3 . . ?
C35B C33B H33G 114.3 . . ?
Si8B C33B H33G 114.3 . . ?
C33B C34B H34G 109.5 . . ?
C33B C34B H34H 109.5 . . ?
H34G C34B H34H 109.5 . . ?
C33B C34B H34I 109.5 . . ?
H34G C34B H34I 109.5 . . ?
H34H C34B H34I 109.5 . . ?
C33B C35B H35A 109.5 . . ?
C33B C35B H35B 109.5 . . ?
H35A C35B H35B 109.5 . . ?
C33B C35B H35C 109.5 . . ?
H35A C35B H35C 109.5 . . ?
H35B C35B H35C 109.5 . . ?
C144 Si9 C148 106.2(2) . . ?
C144 Si9 C145 104.1(2) . . ?
C148 Si9 C145 115.2(2) . . ?
C144 Si9 C151 109.1(2) . . ?
C148 Si9 C151 110.9(2) . . ?
C145 Si9 C151 110.8(2) . . ?
C160 Si10 C164 109.8(2) . . ?
C160 Si10 C161 106.9(3) . . ?
C164 Si10 C161 108.1(3) . . ?
C160 Si10 C167 103.6(2) . . ?
C164 Si10 C167 115.8(3) . . ?
C161 Si10 C167 112.3(3) . . ?
C163 C161 C162 106.4(6) . . ?
C163 C161 Si10 113.3(5) . . ?
C162 C161 Si10 115.9(5) . . ?
C163 C161 H161 106.9 . . ?
C162 C161 H161 106.9 . . ?
Si10 C161 H161 106.9 . . ?
C161 C162 H16D 109.5 . . ?
C161 C162 H16E 109.5 . . ?
H16D C162 H16E 109.5 . . ?
C161 C162 H16F 109.5 . . ?
H16D C162 H16F 109.5 . . ?
H16E C162 H16F 109.5 . . ?
C161 C163 H16G 109.5 . . ?
C161 C163 H16H 109.5 . . ?
H16G C163 H16H 109.5 . . ?
C161 C163 H16I 109.5 . . ?
H16G C163 H16I 109.5 . . ?
H16H C163 H16I 109.5 . . ?
C166 C164 C165 108.1(5) . . ?
C166 C164 Si10 113.1(4) . . ?
C165 C164 Si10 115.1(4) . . ?
C166 C164 H164 106.7 . . ?
C165 C164 H164 106.7 . . ?
Si10 C164 H164 106.7 . . ?
C164 C165 H16J 109.5 . . ?
C164 C165 H16K 109.5 . . ?
H16J C165 H16K 109.5 . . ?
C164 C165 H16L 109.5 . . ?
H16J C165 H16L 109.5 . . ?
H16K C165 H16L 109.5 . . ?
C164 C166 H16M 109.5 . . ?
C164 C166 H16N 109.5 . . ?
H16M C166 H16N 109.5 . . ?
C164 C166 H16O 109.5 . . ?
H16M C166 H16O 109.5 . . ?
H16N C166 H16O 109.5 . . ?
C169 C167 C168 116.9(6) . . ?
C169 C167 Si10 115.7(5) . . ?
C168 C167 Si10 109.4(4) . . ?
C169 C167 H167 104.4 . . ?
C168 C167 H167 104.4 . . ?
Si10 C167 H167 104.4 . . ?
C167 C168 H16P 109.5 . . ?
C167 C168 H16Q 109.5 . . ?
H16P C168 H16Q 109.5 . . ?
C167 C168 H16R 109.5 . . ?
H16P C168 H16R 109.5 . . ?
H16Q C168 H16R 109.5 . . ?
C167 C169 H16S 109.5 . . ?
C167 C169 H16T 109.5 . . ?
H16S C169 H16T 109.5 . . ?
C167 C169 H16U 109.5 . . ?
H16S C169 H16U 109.5 . . ?
H16T C169 H16U 109.5 . . ?
C160 Si1A C64A 105.1(4) . . ?
C160 Si1A C61A 110.3(5) . . ?
C64A Si1A C61A 103.9(6) . . ?
C160 Si1A C67A 107.9(4) . . ?
C64A Si1A C67A 114.1(5) . . ?
C61A Si1A C67A 114.9(6) . . ?
C63A C61A C62A 105.1(11) . . ?
C63A C61A Si1A 116.2(9) . . ?
C62A C61A Si1A 113.6(8) . . ?
C63A C61A H61A 107.2 . . ?
C62A C61A H61A 107.2 . . ?
Si1A C61A H61A 107.2 . . ?
C61A C62A H62A 109.5 . . ?
C61A C62A H62B 109.5 . . ?
H62A C62A H62B 109.5 . . ?
C61A C62A H62C 109.5 . . ?
H62A C62A H62C 109.5 . . ?
H62B C62A H62C 109.5 . . ?
C61A C63A H63A 109.5 . . ?
C61A C63A H63B 109.5 . . ?
H63A C63A H63B 109.5 . . ?
C61A C63A H63C 109.5 . . ?
H63A C63A H63C 109.5 . . ?
H63B C63A H63C 109.5 . . ?
C66A C64A C65A 107.9(10) . . ?
C66A C64A Si1A 116.7(9) . . ?
C65A C64A Si1A 113.4(8) . . ?
C66A C64A H64D 106.0 . . ?
C65A C64A H64D 106.0 . . ?
Si1A C64A H64D 106.0 . . ?
C64A C65A H65D 109.5 . . ?
C64A C65A H65E 109.5 . . ?
H65D C65A H65E 109.5 . . ?
C64A C65A H65F 109.5 . . ?
H65D C65A H65F 109.5 . . ?
H65E C65A H65F 109.5 . . ?
C64A C66A H66A 109.5 . . ?
C64A C66A H66B 109.5 . . ?
H66A C66A H66B 109.5 . . ?
C64A C66A H66C 109.5 . . ?
H66A C66A H66C 109.5 . . ?
H66B C66A H66C 109.5 . . ?
C69A C67A C68A 125.8(11) . . ?
C69A C67A Si1A 117.8(8) . . ?
C68A C67A Si1A 115.4(9) . . ?
C69A C67A H67D 93.3 . . ?
C68A C67A H67D 93.3 . . ?
Si1A C67A H67D 93.3 . . ?
C67A C68A H68D 109.5 . . ?
C67A C68A H68E 109.5 . . ?
H68D C68A H68E 109.5 . . ?
C67A C68A H68F 109.5 . . ?
H68D C68A H68F 109.5 . . ?
H68E C68A H68F 109.5 . . ?
C67A C69A H69A 109.5 . . ?
C67A C69A H69B 109.5 . . ?
H69A C69A H69B 109.5 . . ?
C67A C69A H69C 109.5 . . ?
H69A C69A H69C 109.5 . . ?
H69B C69A H69C 109.5 . . ?

_refine_diff_density_max         0.405
_refine_diff_density_min         -0.432
_refine_diff_density_rms         0.075

