# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_01_a
_audit_block_doi                 10.5517/ccdc.csd.cc1n7yqk
_database_code_depnum_ccdc_archive 'CCDC 1526989'
_audit_update_record             
;
2017-01-26 deposited with the CCDC.
2017-08-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H92 N4 Si4'
_chemical_formula_weight         1101.84

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_symmetry_cell_setting           Triclinic'
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.810(4)
_cell_length_b                   14.307(4)
_cell_length_c                   18.434(6)
_cell_angle_alpha                108.659(3)
_cell_angle_beta                 106.439(3)
_cell_angle_gamma                92.843(3)
_cell_volume                     3270.0(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6993
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      22.76

_exptl_crystal_description       yellow
_exptl_crystal_colour            colour
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.119
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1192
_exptl_absorpt_coefficient_mu    0.133
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9369
_exptl_absorpt_correction_T_max  0.9867
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            79636
_diffrn_reflns_av_R_equivalents  0.0964
_diffrn_reflns_av_sigmaI/netI    0.0973
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         27.78
_reflns_number_total             15343
_reflns_number_gt                8662
_reflns_threshold_expression     >2sigma(I)

_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 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1260P)²+4.4182P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15343
_refine_ls_number_parameters     727
_refine_ls_number_restraints     40
_refine_ls_R_factor_all          0.1592
_refine_ls_R_factor_gt           0.0903
_refine_ls_wR_factor_ref         0.2762
_refine_ls_wR_factor_gt          0.2359
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si01 Si 0.09444(8) 1.10759(8) 0.72211(7) 0.0289(3) Uani 1 1 d . . .
C1 C 0.1469(3) 1.1341(3) 0.6483(2) 0.0273(8) Uani 1 1 d . . .
Si02 Si 0.28075(8) 1.05766(8) 0.13840(6) 0.0280(3) Uani 1 1 d . . .
C2 C 0.1812(3) 1.1351(3) 0.5954(2) 0.0252(8) Uani 1 1 d . . .
Si03 Si 0.83847(10) 0.40214(8) 0.28445(8) 0.0353(3) Uani 1 1 d . . .
C3 C 0.2156(3) 1.1283(3) 0.5282(2) 0.0243(8) Uani 1 1 d . . .
Si04 Si 0.68958(13) 0.48154(13) 0.89086(9) 0.0590(4) Uani 1 1 d DU . .
C4 C 0.1848(3) 1.1870(3) 0.4808(2) 0.0256(8) Uani 1 1 d . . .
H4 H 0.1464 1.2369 0.4962 0.031 Uiso 1 1 calc R . .
N005 N 0.6075(2) 0.5658(2) 0.62399(18) 0.0225(6) Uani 1 1 d . . .
C5 C 0.2108(3) 1.1720(3) 0.4106(2) 0.0273(8) Uani 1 1 d . . .
H5 H 0.1893 1.2123 0.3801 0.033 Uiso 1 1 calc R . .
N006 N 0.3620(2) 0.9694(2) 0.40785(18) 0.0222(6) Uani 1 1 d . . .
C6 C 0.2674(3) 1.0991(3) 0.3850(2) 0.0233(8) Uani 1 1 d . . .
N007 N 0.6597(2) 0.5403(2) 0.47881(18) 0.0226(6) Uani 1 1 d . . .
C7 C 0.2834(3) 1.0793(3) 0.3080(2) 0.0266(8) Uani 1 1 d . . .
N008 N 0.3095(2) 0.9996(2) 0.55354(18) 0.0216(6) Uani 1 1 d . . .
C8 C 0.2883(3) 1.0654(3) 0.2414(2) 0.0288(8) Uani 1 1 d . . .
C9 C 0.3042(3) 1.0410(3) 0.4338(2) 0.0214(7) Uani 1 1 d . . .
C10 C 0.2784(3) 1.0555(3) 0.5053(2) 0.0212(7) Uani 1 1 d . . .
C12 C 0.3913(3) 0.9176(3) 0.4544(2) 0.0214(7) Uani 1 1 d . . .
C11 C 0.3645(3) 0.9318(3) 0.5283(2) 0.0221(7) Uani 1 1 d . . .
C13 C 0.4529(3) 0.8356(3) 0.4442(2) 0.0217(7) Uani 1 1 d . . .
C14 C 0.4999(3) 0.7846(3) 0.3899(2) 0.0234(8) Uani 1 1 d . . .
H14 H 0.4962 0.8016 0.3447 0.028 Uiso 1 1 calc R . .
C15 C 0.5541(3) 0.7059(3) 0.4026(2) 0.0236(8) Uani 1 1 d . . .
H15 H 0.5864 0.6727 0.3660 0.028 Uiso 1 1 calc R . .
C16 C 0.5591(3) 0.6787(3) 0.4689(2) 0.0213(7) Uani 1 1 d . . .
C17 C 0.5100(3) 0.7315(3) 0.5230(2) 0.0216(7) Uani 1 1 d . . .
C18 C 0.4589(3) 0.8069(3) 0.5113(2) 0.0214(7) Uani 1 1 d . . .
C19 C 0.4092(3) 0.8594(3) 0.5647(2) 0.0221(7) Uani 1 1 d . . .
C20 C 0.4121(3) 0.8300(3) 0.6301(2) 0.0245(8) Uani 1 1 d . . .
H20 H 0.3789 0.8623 0.6662 0.029 Uiso 1 1 calc R . .
C21 C 0.4656(3) 0.7504(3) 0.6423(2) 0.0241(8) Uani 1 1 d . . .
H21 H 0.4673 0.7318 0.6866 0.029 Uiso 1 1 calc R . .
C22 C 0.5147(3) 0.7008(3) 0.5891(2) 0.0226(7) Uani 1 1 d . . .
C23 C 0.5774(3) 0.6196(3) 0.5784(2) 0.0217(7) Uani 1 1 d . . .
C24 C 0.6042(3) 0.6064(3) 0.5048(2) 0.0220(7) Uani 1 1 d . . .
C25 C 0.6910(3) 0.4826(3) 0.5256(2) 0.0228(7) Uani 1 1 d . . .
C26 C 0.6661(3) 0.4956(3) 0.5971(2) 0.0233(8) Uani 1 1 d . . .
C27 C 0.7030(3) 0.4346(3) 0.6437(2) 0.0270(8) Uani 1 1 d . . .
C28 C 0.6876(3) 0.4505(3) 0.7202(2) 0.0306(9) Uani 1 1 d . . .
C29 C 0.6841(3) 0.4615(3) 0.7869(3) 0.0367(10) Uani 1 1 d . . .
C30 C 0.7585(3) 0.3613(3) 0.6162(2) 0.0298(9) Uani 1 1 d . . .
H30 H 0.7805 0.3201 0.6457 0.036 Uiso 1 1 calc R . .
C31 C 0.7825(3) 0.3476(3) 0.5455(2) 0.0282(8) Uani 1 1 d . . .
H31 H 0.8199 0.2974 0.5285 0.034 Uiso 1 1 calc R . .
C32 C 0.7514(3) 0.4077(3) 0.4999(2) 0.0252(8) Uani 1 1 d . . .
C33 C 0.7805(3) 0.3988(3) 0.4301(2) 0.0279(8) Uani 1 1 d . . .
C34 C 0.8084(3) 0.3933(3) 0.3727(2) 0.0292(8) Uani 1 1 d . . .
C35 C 0.8421(4) 0.5382(3) 0.2961(3) 0.0456(12) Uani 1 1 d . . .
H35 H 0.8607 0.5477 0.2511 0.055 Uiso 1 1 calc R . .
C36 C 0.9244(4) 0.6040(3) 0.3760(3) 0.0535(14) Uani 1 1 d . . .
H36A H 0.9268 0.6728 0.3803 0.080 Uiso 1 1 calc R . .
H36B H 0.9899 0.5842 0.3764 0.080 Uiso 1 1 calc R . .
H36C H 0.9075 0.5958 0.4209 0.080 Uiso 1 1 calc R . .
C37 C 0.7366(4) 0.5713(4) 0.2932(4) 0.0615(15) Uani 1 1 d . . .
H37A H 0.7407 0.6404 0.2985 0.092 Uiso 1 1 calc R . .
H37B H 0.7168 0.5622 0.3367 0.092 Uiso 1 1 calc R . .
H37C H 0.6869 0.5317 0.2427 0.092 Uiso 1 1 calc R . .
C38 C 0.7253(4) 0.3217(3) 0.1955(3) 0.0476(12) Uani 1 1 d . . .
H38 H 0.6640 0.3472 0.2054 0.057 Uiso 1 1 calc R . .
C39 C 0.7146(4) 0.2128(3) 0.1917(3) 0.0477(12) Uani 1 1 d . . .
H39A H 0.6563 0.1745 0.1469 0.071 Uiso 1 1 calc R . .
H39B H 0.7059 0.2101 0.2408 0.071 Uiso 1 1 calc R . .
H39C H 0.7750 0.1857 0.1849 0.071 Uiso 1 1 calc R . .
C40 C 0.7238(5) 0.3254(5) 0.1136(3) 0.0706(17) Uani 1 1 d . . .
H40A H 0.6690 0.2768 0.0720 0.106 Uiso 1 1 calc R . .
H40B H 0.7876 0.3108 0.1049 0.106 Uiso 1 1 calc R . .
H40C H 0.7139 0.3908 0.1121 0.106 Uiso 1 1 calc R . .
C41 C 0.9615(3) 0.3584(3) 0.2798(3) 0.0444(12) Uani 1 1 d . . .
H41 H 0.9456 0.2864 0.2499 0.053 Uiso 1 1 calc R . .
C42 C 1.0353(4) 0.3725(4) 0.3612(4) 0.0602(16) Uani 1 1 d . . .
H42A H 1.0972 0.3485 0.3549 0.090 Uiso 1 1 calc R . .
H42B H 1.0055 0.3358 0.3870 0.090 Uiso 1 1 calc R . .
H42C H 1.0503 0.4421 0.3936 0.090 Uiso 1 1 calc R . .
C43 C 1.0102(4) 0.4060(4) 0.2305(4) 0.0655(16) Uani 1 1 d . . .
H43A H 1.0759 0.3859 0.2324 0.098 Uiso 1 1 calc R . .
H43B H 1.0180 0.4774 0.2534 0.098 Uiso 1 1 calc R . .
H43C H 0.9666 0.3839 0.1755 0.098 Uiso 1 1 calc R . .
C44 C 0.6320(5) 0.5973(4) 0.9247(4) 0.1126(18) Uani 1 1 d DU . .
H44 H 0.6836 0.6535 0.9349 0.135 Uiso 1 1 calc R . .
C45 C 0.6024(6) 0.6190(6) 1.0004(5) 0.1140(19) Uani 1 1 d U . .
H45A H 0.6034 0.6895 1.0239 0.171 Uiso 1 1 calc R . .
H45B H 0.6499 0.5967 1.0382 0.171 Uiso 1 1 calc R . .
H45C H 0.5348 0.5845 0.9874 0.171 Uiso 1 1 calc R . .
C46 C 0.5365(5) 0.6046(6) 0.8603(4) 0.1130(19) Uani 1 1 d DU . .
H46A H 0.5192 0.6706 0.8771 0.169 Uiso 1 1 calc R . .
H46B H 0.4805 0.5567 0.8536 0.169 Uiso 1 1 calc R . .
H46C H 0.5502 0.5910 0.8100 0.169 Uiso 1 1 calc R . .
C47 C 0.6185(6) 0.3723(5) 0.8933(5) 0.1020(17) Uani 1 1 d DU . .
H47 H 0.6202 0.3831 0.9489 0.122 Uiso 1 1 calc R . .
C48 C 0.5077(6) 0.3463(6) 0.8389(4) 0.1013(17) Uani 1 1 d U . .
H48A H 0.4781 0.2836 0.8380 0.152 Uiso 1 1 calc R . .
H48B H 0.5051 0.3413 0.7852 0.152 Uiso 1 1 calc R . .
H48C H 0.4700 0.3975 0.8593 0.152 Uiso 1 1 calc R . .
C49 C 0.6705(6) 0.2813(5) 0.8639(4) 0.1041(17) Uani 1 1 d DU . .
H49A H 0.6256 0.2212 0.8521 0.156 Uiso 1 1 calc R . .
H49B H 0.7327 0.2851 0.9053 0.156 Uiso 1 1 calc R . .
H49C H 0.6856 0.2808 0.8161 0.156 Uiso 1 1 calc R . .
C50 C 0.8277(5) 0.5034(5) 0.9516(4) 0.0835(13) Uani 1 1 d U . .
H50 H 0.8564 0.4435 0.9294 0.100 Uiso 1 1 calc R . .
C51 C 0.8440(6) 0.5190(5) 1.0418(4) 0.0870(13) Uani 1 1 d U . .
H51A H 0.9151 0.5411 1.0720 0.131 Uiso 1 1 calc R . .
H51B H 0.8222 0.4571 1.0466 0.131 Uiso 1 1 calc R . .
H51C H 0.8047 0.5684 1.0625 0.131 Uiso 1 1 calc R . .
C52 C 0.8904(5) 0.5914(5) 0.9485(4) 0.0833(13) Uani 1 1 d U . .
H52A H 0.9614 0.5933 0.9754 0.125 Uiso 1 1 calc R . .
H52B H 0.8687 0.6523 0.9749 0.125 Uiso 1 1 calc R . .
H52C H 0.8808 0.5844 0.8933 0.125 Uiso 1 1 calc R . .
C53 C -0.0271(3) 1.1620(3) 0.7189(3) 0.0346(9) Uani 1 1 d . . .
H53 H -0.0665 1.1268 0.7415 0.042 Uiso 1 1 calc R . .
C54 C -0.0121(4) 1.2735(3) 0.7676(3) 0.0459(11) Uani 1 1 d . . .
H54A H -0.0775 1.2947 0.7646 0.069 Uiso 1 1 calc R . .
H54B H 0.0247 1.3104 0.7459 0.069 Uiso 1 1 calc R . .
H54C H 0.0260 1.2854 0.8229 0.069 Uiso 1 1 calc R . .
C55 C -0.0914(3) 1.1423(3) 0.6306(3) 0.0443(11) Uani 1 1 d . . .
H55A H -0.1585 1.1583 0.6287 0.066 Uiso 1 1 calc R . .
H55B H -0.0964 1.0732 0.5992 0.066 Uiso 1 1 calc R . .
H55C H -0.0592 1.1832 0.6090 0.066 Uiso 1 1 calc R . .
C56 C 0.1942(3) 1.1644(4) 0.8233(3) 0.0447(11) Uani 1 1 d . . .
H56 H 0.2113 1.2352 0.8319 0.054 Uiso 1 1 calc R . .
C57 C 0.1595(4) 1.1597(4) 0.8944(3) 0.0572(14) Uani 1 1 d . . .
H57A H 0.2103 1.1995 0.9443 0.086 Uiso 1 1 calc R . .
H57B H 0.1508 1.0917 0.8922 0.086 Uiso 1 1 calc R . .
H57C H 0.0959 1.1849 0.8913 0.086 Uiso 1 1 calc R . .
C58 C 0.2929(4) 1.1191(5) 0.8262(4) 0.0661(16) Uani 1 1 d . . .
H58A H 0.3472 1.1607 0.8731 0.099 Uiso 1 1 calc R . .
H58B H 0.3104 1.1146 0.7786 0.099 Uiso 1 1 calc R . .
H58C H 0.2829 1.0535 0.8290 0.099 Uiso 1 1 calc R . .
C59 C 0.0590(4) 0.9671(3) 0.6837(3) 0.0434(11) Uani 1 1 d . . .
H59 H -0.0026 0.9518 0.6369 0.052 Uiso 1 1 calc R . .
C60 C 0.0258(3) 0.9305(3) 0.7438(3) 0.0407(11) Uani 1 1 d . . .
H60A H 0.0014 0.8601 0.7198 0.061 Uiso 1 1 calc R . .
H60B H -0.0279 0.9651 0.7577 0.061 Uiso 1 1 calc R . .
H60C H 0.0830 0.9435 0.7916 0.061 Uiso 1 1 calc R . .
C61 C 0.1343(5) 0.9075(3) 0.6521(4) 0.0605(16) Uani 1 1 d . . .
H61A H 0.1058 0.8379 0.6290 0.091 Uiso 1 1 calc R . .
H61B H 0.1963 0.9173 0.6956 0.091 Uiso 1 1 calc R . .
H61C H 0.1490 0.9291 0.6116 0.091 Uiso 1 1 calc R . .
C62 C 0.2148(3) 1.1658(3) 0.1242(2) 0.0319(9) Uani 1 1 d . . .
H62 H 0.2186 1.1718 0.0735 0.038 Uiso 1 1 calc R . .
C63 C 0.1033(3) 1.1537(3) 0.1188(3) 0.0481(12) Uani 1 1 d . . .
H63A H 0.0750 1.2114 0.1118 0.072 Uiso 1 1 calc R . .
H63B H 0.0972 1.1469 0.1675 0.072 Uiso 1 1 calc R . .
H63C H 0.0669 1.0953 0.0736 0.072 Uiso 1 1 calc R . .
C64 C 0.2714(4) 1.2631(3) 0.1926(3) 0.0478(12) Uani 1 1 d . . .
H64A H 0.2391 1.3181 0.1835 0.072 Uiso 1 1 calc R . .
H64B H 0.3412 1.2729 0.1939 0.072 Uiso 1 1 calc R . .
H64C H 0.2692 1.2592 0.2431 0.072 Uiso 1 1 calc R . .
C65 C 0.2085(3) 0.9319(3) 0.0655(3) 0.0368(10) Uani 1 1 d . . .
H65 H 0.2579 0.8850 0.0657 0.044 Uiso 1 1 calc R . .
C66 C 0.1221(4) 0.8907(4) 0.0887(3) 0.0465(11) Uani 1 1 d . . .
H66A H 0.0906 0.8259 0.0497 0.070 Uiso 1 1 calc R . .
H66B H 0.0720 0.9350 0.0900 0.070 Uiso 1 1 calc R . .
H66C H 0.1492 0.8854 0.1411 0.070 Uiso 1 1 calc R . .
C67 C 0.1682(4) 0.9308(4) -0.0218(3) 0.0495(12) Uani 1 1 d . . .
H67A H 0.1411 0.8636 -0.0579 0.074 Uiso 1 1 calc R . .
H67B H 0.2232 0.9564 -0.0359 0.074 Uiso 1 1 calc R . .
H67C H 0.1154 0.9718 -0.0259 0.074 Uiso 1 1 calc R . .
C68 C 0.4137(3) 1.0776(3) 0.1328(3) 0.0344(9) Uani 1 1 d . . .
H68 H 0.4488 1.1405 0.1762 0.041 Uiso 1 1 calc R . .
C69 C 0.4162(4) 1.0897(4) 0.0537(3) 0.0477(12) Uani 1 1 d . . .
H69A H 0.4854 1.1098 0.0577 0.072 Uiso 1 1 calc R . .
H69B H 0.3757 1.1397 0.0438 0.072 Uiso 1 1 calc R . .
H69C H 0.3889 1.0273 0.0101 0.072 Uiso 1 1 calc R . .
C70 C 0.4751(4) 0.9959(4) 0.1490(3) 0.0537(13) Uani 1 1 d . . .
H70A H 0.5450 1.0140 0.1536 0.080 Uiso 1 1 calc R . .
H70B H 0.4469 0.9338 0.1051 0.080 Uiso 1 1 calc R . .
H70C H 0.4718 0.9886 0.1982 0.080 Uiso 1 1 calc R . .


_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
Si01 C1 1.838(4) . ?
Si01 C56 1.872(5) . ?
Si01 C53 1.879(4) . ?
Si01 C59 1.891(4) . ?
C1 C2 1.204(5) . ?
Si02 C8 1.839(4) . ?
Si02 C68 1.881(4) . ?
Si02 C65 1.886(4) . ?
Si02 C62 1.886(4) . ?
C2 C3 1.423(5) . ?
Si03 C34 1.829(4) . ?
Si03 C41 1.855(4) . ?
Si03 C35 1.885(4) . ?
Si03 C38 1.902(5) . ?
C3 C4 1.396(5) . ?
C3 C10 1.425(5) . ?
Si04 C29 1.823(4) . ?
Si04 C47 1.823(7) . ?
Si04 C50 1.870(7) . ?
Si04 C44 1.874(2) . ?
C4 C5 1.394(5) . ?
C4 H4 0.9300 . ?
N005 C23 1.311(4) . ?
N005 C26 1.378(4) . ?
C5 C6 1.376(5) . ?
C5 H5 0.9300 . ?
N006 C12 1.300(4) . ?
N006 C9 1.378(4) . ?
C6 C9 1.422(4) . ?
C6 C7 1.439(5) . ?
N007 C24 1.303(4) . ?
N007 C25 1.376(4) . ?
C7 C8 1.202(5) . ?
N008 C11 1.311(4) . ?
N008 C10 1.375(4) . ?
C9 C10 1.415(5) . ?
C12 C11 1.465(5) . ?
C12 C13 1.478(4) . ?
C11 C19 1.477(4) . ?
C13 C14 1.380(5) . ?
C13 C18 1.406(5) . ?
C14 C15 1.427(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.381(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.406(5) . ?
C16 C24 1.472(4) . ?
C17 C18 1.358(5) . ?
C17 C22 1.408(5) . ?
C18 C19 1.402(5) . ?
C19 C20 1.390(5) . ?
C20 C21 1.431(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.379(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.480(5) . ?
C23 C24 1.465(5) . ?
C25 C26 1.411(5) . ?
C25 C32 1.434(5) . ?
C26 C27 1.427(5) . ?
C27 C30 1.380(5) . ?
C27 C28 1.434(5) . ?
C28 C29 1.204(6) . ?
C30 C31 1.390(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.388(5) . ?
C31 H31 0.9300 . ?
C32 C33 1.424(5) . ?
C33 C34 1.205(5) . ?
C35 C37 1.546(7) . ?
C35 C36 1.552(7) . ?
C35 H35 0.9800 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 C40 1.522(7) . ?
C38 C39 1.535(6) . ?
C38 H38 0.9800 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C42 1.500(7) . ?
C41 C43 1.561(6) . ?
C41 H41 0.9800 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 C45 1.507(10) . ?
C44 C46 1.539(2) . ?
C44 H44 0.9800 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 C48 1.523(10) . ?
C47 C49 1.538(2) . ?
C47 H47 0.9800 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 C52 1.519(9) . ?
C50 C51 1.552(8) . ?
C50 H50 0.9800 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 C54 1.529(6) . ?
C53 C55 1.543(6) . ?
C53 H53 0.9800 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 C58 1.532(6) . ?
C56 C57 1.537(6) . ?
C56 H56 0.9800 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 C61 1.504(6) . ?
C59 C60 1.532(6) . ?
C59 H59 0.9800 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 C63 1.512(6) . ?
C62 C64 1.532(6) . ?
C62 H62 0.9800 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 C66 1.529(6) . ?
C65 C67 1.541(6) . ?
C65 H65 0.9800 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 C69 1.532(6) . ?
C68 C70 1.534(6) . ?
C68 H68 0.9800 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Si01 C56 107.1(2) . . ?
C1 Si01 C53 109.02(17) . . ?
C56 Si01 C53 112.0(2) . . ?
C1 Si01 C59 105.06(18) . . ?
C56 Si01 C59 116.0(2) . . ?
C53 Si01 C59 107.3(2) . . ?
C2 C1 Si01 169.5(3) . . ?
C8 Si02 C68 109.19(18) . . ?
C8 Si02 C65 108.94(18) . . ?
C68 Si02 C65 111.42(19) . . ?
C8 Si02 C62 104.34(17) . . ?
C68 Si02 C62 108.86(18) . . ?
C65 Si02 C62 113.79(19) . . ?
C1 C2 C3 174.8(4) . . ?
C34 Si03 C41 111.4(2) . . ?
C34 Si03 C35 104.81(19) . . ?
C41 Si03 C35 112.2(2) . . ?
C34 Si03 C38 104.1(2) . . ?
C41 Si03 C38 112.6(2) . . ?
C35 Si03 C38 111.2(2) . . ?
C4 C3 C2 121.9(3) . . ?
C4 C3 C10 118.4(3) . . ?
C2 C3 C10 119.6(3) . . ?
C29 Si04 C47 108.7(3) . . ?
C29 Si04 C50 107.1(3) . . ?
C47 Si04 C50 112.5(3) . . ?
C29 Si04 C44 106.3(3) . . ?
C47 Si04 C44 112.1(3) . . ?
C50 Si04 C44 109.7(3) . . ?
C5 C4 C3 120.9(3) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C23 N005 C26 114.8(3) . . ?
C6 C5 C4 121.8(3) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
C12 N006 C9 114.7(3) . . ?
C5 C6 C9 118.8(3) . . ?
C5 C6 C7 119.9(3) . . ?
C9 C6 C7 121.3(3) . . ?
C24 N007 C25 114.9(3) . . ?
C8 C7 C6 174.1(4) . . ?
C11 N008 C10 114.9(3) . . ?
C7 C8 Si02 170.8(3) . . ?
N006 C9 C10 122.1(3) . . ?
N006 C9 C6 117.9(3) . . ?
C10 C9 C6 119.9(3) . . ?
N008 C10 C9 122.4(3) . . ?
N008 C10 C3 117.6(3) . . ?
C9 C10 C3 120.0(3) . . ?
N006 C12 C11 123.5(3) . . ?
N006 C12 C13 128.6(3) . . ?
C11 C12 C13 107.8(3) . . ?
N008 C11 C12 122.3(3) . . ?
N008 C11 C19 129.1(3) . . ?
C12 C11 C19 108.6(3) . . ?
C14 C13 C18 118.1(3) . . ?
C14 C13 C12 138.3(3) . . ?
C18 C13 C12 103.6(3) . . ?
C13 C14 C15 120.6(3) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C16 C15 C14 120.4(3) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 117.9(3) . . ?
C15 C16 C24 138.7(3) . . ?
C17 C16 C24 103.4(3) . . ?
C18 C17 C16 121.8(3) . . ?
C18 C17 C22 121.6(3) . . ?
C16 C17 C22 116.6(3) . . ?
C17 C18 C19 122.1(3) . . ?
C17 C18 C13 121.3(3) . . ?
C19 C18 C13 116.6(3) . . ?
C20 C19 C18 117.3(3) . . ?
C20 C19 C11 139.4(3) . . ?
C18 C19 C11 103.3(3) . . ?
C19 C20 C21 120.6(3) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C22 C21 C20 120.7(3) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C17 117.6(3) . . ?
C21 C22 C23 139.1(3) . . ?
C17 C22 C23 103.3(3) . . ?
N005 C23 C24 122.7(3) . . ?
N005 C23 C22 129.2(3) . . ?
C24 C23 C22 108.1(3) . . ?
N007 C24 C23 123.1(3) . . ?
N007 C24 C16 128.4(3) . . ?
C23 C24 C16 108.6(3) . . ?
N007 C25 C26 122.2(3) . . ?
N007 C25 C32 117.7(3) . . ?
C26 C25 C32 120.0(3) . . ?
N005 C26 C25 122.3(3) . . ?
N005 C26 C27 118.4(3) . . ?
C25 C26 C27 119.3(3) . . ?
C30 C27 C26 119.3(3) . . ?
C30 C27 C28 119.2(3) . . ?
C26 C27 C28 121.5(3) . . ?
C29 C28 C27 173.5(4) . . ?
C28 C29 Si04 175.5(4) . . ?
C27 C30 C31 121.6(3) . . ?
C27 C30 H30 119.2 . . ?
C31 C30 H30 119.2 . . ?
C32 C31 C30 120.9(3) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C31 C32 C33 121.7(3) . . ?
C31 C32 C25 118.8(3) . . ?
C33 C32 C25 119.5(3) . . ?
C34 C33 C32 177.7(4) . . ?
C33 C34 Si03 170.3(3) . . ?
C37 C35 C36 110.2(4) . . ?
C37 C35 Si03 111.5(3) . . ?
C36 C35 Si03 110.4(3) . . ?
C37 C35 H35 108.2 . . ?
C36 C35 H35 108.2 . . ?
Si03 C35 H35 108.2 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C40 C38 C39 109.7(4) . . ?
C40 C38 Si03 115.5(4) . . ?
C39 C38 Si03 111.4(3) . . ?
C40 C38 H38 106.5 . . ?
C39 C38 H38 106.5 . . ?
Si03 C38 H38 106.5 . . ?
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 . . ?
C42 C41 C43 111.9(4) . . ?
C42 C41 Si03 113.3(3) . . ?
C43 C41 Si03 111.2(3) . . ?
C42 C41 H41 106.6 . . ?
C43 C41 H41 106.6 . . ?
Si03 C41 H41 106.6 . . ?
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 105.1(5) . . ?
C45 C44 Si04 118.4(5) . . ?
C46 C44 Si04 113.9(4) . . ?
C45 C44 H44 106.2 . . ?
C46 C44 H44 106.2 . . ?
Si04 C44 H44 106.2 . . ?
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 106.6(6) . . ?
C48 C47 Si04 114.4(4) . . ?
C49 C47 Si04 108.4(5) . . ?
C48 C47 H47 109.1 . . ?
C49 C47 H47 109.1 . . ?
Si04 C47 H47 109.1 . . ?
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 . . ?
C52 C50 C51 107.6(6) . . ?
C52 C50 Si04 114.1(4) . . ?
C51 C50 Si04 112.7(5) . . ?
C52 C50 H50 107.4 . . ?
C51 C50 H50 107.4 . . ?
Si04 C50 H50 107.4 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 C55 109.5(3) . . ?
C54 C53 Si01 114.7(3) . . ?
C55 C53 Si01 110.0(3) . . ?
C54 C53 H53 107.4 . . ?
C55 C53 H53 107.4 . . ?
Si01 C53 H53 107.4 . . ?
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 C57 109.2(4) . . ?
C58 C56 Si01 112.0(4) . . ?
C57 C56 Si01 114.6(3) . . ?
C58 C56 H56 106.9 . . ?
C57 C56 H56 106.9 . . ?
Si01 C56 H56 106.9 . . ?
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 . . ?
C61 C59 C60 112.1(4) . . ?
C61 C59 Si01 116.3(3) . . ?
C60 C59 Si01 112.1(3) . . ?
C61 C59 H59 105.1 . . ?
C60 C59 H59 105.1 . . ?
Si01 C59 H59 105.1 . . ?
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 . . ?
C63 C62 C64 109.4(4) . . ?
C63 C62 Si02 114.1(3) . . ?
C64 C62 Si02 110.0(3) . . ?
C63 C62 H62 107.7 . . ?
C64 C62 H62 107.7 . . ?
Si02 C62 H62 107.7 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 C67 110.1(4) . . ?
C66 C65 Si02 114.6(3) . . ?
C67 C65 Si02 112.2(3) . . ?
C66 C65 H65 106.5 . . ?
C67 C65 H65 106.5 . . ?
Si02 C65 H65 106.5 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C69 C68 C70 110.6(4) . . ?
C69 C68 Si02 113.4(3) . . ?
C70 C68 Si02 112.2(3) . . ?
C69 C68 H68 106.7 . . ?
C70 C68 H68 106.7 . . ?
Si02 C68 H68 106.7 . . ?
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 . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.78
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.224
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.085
####################################################################### 
# 
# 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_001_a
_audit_block_doi                 10.5517/ccdc.csd.cc1n7ypj
_database_code_depnum_ccdc_archive 'CCDC 1526988'
_audit_update_record             
;
2017-01-26 deposited with the CCDC.
2017-08-04 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         'C70 H92 N4 Si4'
_chemical_formula_sum            'C70 H92 N4 Si4'
_chemical_formula_weight         1101.83

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   11.423(3)
_cell_length_b                   11.567(3)
_cell_length_c                   13.150(3)
_cell_angle_alpha                86.245(2)
_cell_angle_beta                 79.518(2)
_cell_angle_gamma                72.596(2)
_cell_volume                     1630.2(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9888
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      27.53

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.122
_exptl_crystal_F_000             596
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.495
_exptl_crystal_size_mid          0.475
_exptl_crystal_size_min          0.448
_exptl_absorpt_coefficient_mu    0.134
_shelx_estimated_absorpt_T_min   0.937
_shelx_estimated_absorpt_T_max   0.942
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7106
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19332
_diffrn_reflns_av_unetI/netI     0.0139
_diffrn_reflns_av_R_equivalents  0.0138
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.845
_diffrn_reflns_theta_max         27.542
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7425
_reflns_number_gt                6990
_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-2014/7 (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)+(0.0516P)²+0.5517P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7425
_refine_ls_number_parameters     536
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0310
_refine_ls_wR_factor_ref         0.0890
_refine_ls_wR_factor_gt          0.0872
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.59771(2) 0.71141(2) 0.17526(2) 0.01190(7) Uani 1 1 d . . . . .
H1 H 0.6880(13) 0.7109(12) -0.0009(11) 0.022(3) Uiso 1 1 d . . . . .
C1 C 0.61950(9) 0.58231(9) 0.26808(7) 0.01472(18) Uani 1 1 d . . . . .
Si2 Si 0.81696(3) -0.22940(2) 0.61020(2) 0.01400(7) Uani 1 1 d . . . . .
H2 H 0.8871(15) 0.5603(14) -0.0029(13) 0.036(4) Uiso 1 1 d . . . . .
C8 C 0.76536(9) -0.07270(9) 0.56146(7) 0.01526(18) Uani 1 1 d . . . . .
N1 N 0.78505(7) 0.27540(7) 0.20557(6) 0.01187(15) Uani 1 1 d . . . . .
H3 H 0.5031(14) 0.9193(13) 0.3292(11) 0.029(4) Uiso 1 1 d . . . . .
C25 C 0.83475(11) 0.59627(12) 0.06203(9) 0.0275(2) Uani 1 1 d . . . . .
N2 N 0.83728(7) 0.04350(7) 0.31168(6) 0.01230(16) Uani 1 1 d . . . . .
H4 H 0.6300(14) 0.9354(14) 0.3507(12) 0.033(4) Uiso 1 1 d . . . . .
C12 C 0.85113(9) 0.17409(8) 0.15946(7) 0.01172(17) Uani 1 1 d . . . . .
H5 H 0.9659(13) -0.1966(12) 0.6956(11) 0.024(3) Uiso 1 1 d . . . . .
C11 C 0.87849(8) 0.05641(8) 0.21374(7) 0.01187(18) Uani 1 1 d . . . . .
H6 H 0.5969(13) 0.8122(13) 0.3793(11) 0.025(3) Uiso 1 1 d . . . . .
C9 C 0.76707(8) 0.14935(8) 0.36152(7) 0.01149(17) Uani 1 1 d . . . . .
H7 H 0.6773(14) 0.9997(14) 0.1666(12) 0.032(4) Uiso 1 1 d . . . . .
C2 C 0.64435(9) 0.48644(8) 0.31376(7) 0.01319(18) Uani 1 1 d . . . . .
H8 H 0.5562(14) 0.9773(13) 0.1359(11) 0.028(4) Uiso 1 1 d . . . . .
C3 C 0.67162(8) 0.37106(8) 0.36620(7) 0.01208(17) Uani 1 1 d . . . . .
H9 H 0.6923(15) 0.9114(14) 0.0737(13) 0.036(4) Uiso 1 1 d . . . . .
C7 C 0.74325(9) 0.02575(8) 0.52000(7) 0.01381(18) Uani 1 1 d . . . . .
C4 C 0.62903(9) 0.36002(8) 0.47133(7) 0.01419(18) Uani 1 1 d . . . . .
C15 C 0.96751(9) 0.02777(8) 0.04494(7) 0.01222(18) Uani 1 1 d . . . . .
C10 C 0.74246(8) 0.26383(8) 0.30961(7) 0.01120(17) Uani 1 1 d . . . . .
C13 C 0.91015(8) 0.15385(8) 0.04963(7) 0.01203(18) Uani 1 1 d . . . . .
C5 C 0.65074(9) 0.24704(9) 0.52156(7) 0.01429(18) Uani 1 1 d . . . . .
C16 C 0.95434(9) -0.03771(8) 0.13820(7) 0.01234(18) Uani 1 1 d . . . . .
C14 C 0.92235(9) 0.22083(8) -0.04111(7) 0.01361(18) Uani 1 1 d . . . . .
C17 C 1.00954(9) -0.16227(8) 0.13590(7) 0.01364(18) Uani 1 1 d . . . . .
C6 C 0.71857(9) 0.14157(8) 0.46888(7) 0.01272(18) Uani 1 1 d . . . . .
C27 C 0.89182(10) -0.22311(9) 0.72592(8) 0.0180(2) Uani 1 1 d . . . . .
C18 C 0.65666(9) 0.83172(9) 0.22072(8) 0.01533(19) Uani 1 1 d . . . . .
C33 C 0.67741(11) -0.28963(10) 0.63514(9) 0.0224(2) Uani 1 1 d . . . . .
C21 C 0.42617(9) 0.77557(9) 0.16668(8) 0.01592(19) Uani 1 1 d . . . . .
C24 C 0.69721(10) 0.64506(9) 0.04987(8) 0.01734(19) Uani 1 1 d . . . . .
C19 C 0.59145(10) 0.87680(10) 0.32966(8) 0.0205(2) Uani 1 1 d . . . . .
C30 C 0.93796(10) -0.31641(9) 0.50242(8) 0.0207(2) Uani 1 1 d . . . . .
C20 C 0.64603(11) 0.93814(10) 0.14311(9) 0.0222(2) Uani 1 1 d . . . . .
C23 C 0.35193(11) 0.68371(11) 0.19406(9) 0.0234(2) Uani 1 1 d . . . . .
C22 C 0.40421(11) 0.83516(11) 0.06069(9) 0.0250(2) Uani 1 1 d . . . . .
C26 C 0.65602(12) 0.54462(11) 0.00934(9) 0.0259(2) Uani 1 1 d . . . . .
C28 C 0.81213(12) -0.12757(12) 0.80592(9) 0.0279(2) Uani 1 1 d . . . . .
C29 C 0.93657(14) -0.34730(11) 0.77771(10) 0.0309(3) Uani 1 1 d . . . . .
C31 C 0.88296(13) -0.32254(12) 0.40561(9) 0.0296(3) Uani 1 1 d . . . . .
H10 H 0.3933(12) 0.8405(12) 0.2185(10) 0.020(3) Uiso 1 1 d . . . . .
C32 C 1.04704(12) -0.26253(13) 0.47395(11) 0.0325(3) Uani 1 1 d . . . . .
H11 H 0.3798(15) 0.6177(14) 0.1438(12) 0.035(4) Uiso 1 1 d . . . . .
C34 C 0.57880(13) -0.23188(13) 0.72741(12) 0.0361(3) Uani 1 1 d . . . . .
H12 H 0.3599(14) 0.6490(13) 0.2641(12) 0.030(4) Uiso 1 1 d . . . . .
C35 C 0.71183(14) -0.42818(11) 0.64430(12) 0.0340(3) Uani 1 1 d . . . . .
H14 H 0.5721(15) 0.5714(14) -0.0054(12) 0.033(4) Uiso 1 1 d . . . . .
H15 H 0.6624(15) 0.4760(15) 0.0583(13) 0.039(4) Uiso 1 1 d . . . . .
H16 H 0.7107(15) 0.5150(14) -0.0584(12) 0.033(4) Uiso 1 1 d . . . . .
H17 H 0.9679(14) -0.3976(14) 0.5290(12) 0.031(4) Uiso 1 1 d . . . . .
H18 H 0.4297(14) 0.7749(14) 0.0070(12) 0.030(4) Uiso 1 1 d . . . . .
H19 H 0.3133(15) 0.8765(14) 0.0609(12) 0.035(4) Uiso 1 1 d . . . . .
H20 H 0.8678(15) 0.6587(15) 0.0772(12) 0.034(4) Uiso 1 1 d . . . . .
H21 H 0.8439(16) 0.5338(15) 0.1181(13) 0.041(4) Uiso 1 1 d . . . . .
H22 H 0.7460(13) 0.7937(12) 0.2228(11) 0.023(3) Uiso 1 1 d . . . . .
H23 H 0.6362(15) -0.2650(14) 0.5733(12) 0.035(4) Uiso 1 1 d . . . . .
H24 H 0.8592(15) -0.1229(14) 0.8613(12) 0.036(4) Uiso 1 1 d . . . . .
H25 H 0.7889(16) -0.0467(16) 0.7741(13) 0.041(4) Uiso 1 1 d . . . . .
H26 H 0.7346(17) -0.1492(16) 0.8379(14) 0.048(5) Uiso 1 1 d . . . . .
H27 H 0.9937(15) -0.4058(15) 0.7270(13) 0.038(4) Uiso 1 1 d . . . . .
H28 H 0.9823(15) -0.3398(14) 0.8346(12) 0.035(4) Uiso 1 1 d . . . . .
H29 H 0.8655(16) -0.3793(15) 0.8072(13) 0.042(4) Uiso 1 1 d . . . . .
H30 H 0.7510(18) -0.4569(16) 0.7071(15) 0.052(5) Uiso 1 1 d . . . . .
H31 H 0.6337(17) -0.4541(16) 0.6506(13) 0.047(5) Uiso 1 1 d . . . . .
H32 H 1.1095(16) -0.3072(16) 0.4155(13) 0.044(4) Uiso 1 1 d . . . . .
H33 H 1.0886(17) -0.2661(16) 0.5341(14) 0.048(5) Uiso 1 1 d . . . . .
H34 H 1.0165(16) -0.1775(16) 0.4517(13) 0.043(4) Uiso 1 1 d . . . . .
H35 H 0.9470(16) -0.3687(15) 0.3503(13) 0.041(4) Uiso 1 1 d . . . . .
H36 H 0.8470(15) -0.2402(15) 0.3790(12) 0.038(4) Uiso 1 1 d . . . . .
H37 H 0.8169(15) -0.3608(14) 0.4202(12) 0.034(4) Uiso 1 1 d . . . . .
H38 H 0.5552(17) -0.1422(17) 0.7226(14) 0.046(5) Uiso 1 1 d . . . . .
H39 H 0.6145(18) -0.2574(17) 0.7951(15) 0.054(5) Uiso 1 1 d . . . . .
H40 H 0.4507(16) 0.8930(15) 0.0396(13) 0.042(4) Uiso 1 1 d . . . . .
H41 H 0.6185(13) 0.2407(12) 0.5935(11) 0.021(3) Uiso 1 1 d . . . . .
H42 H 0.5855(12) 0.4310(12) 0.5098(10) 0.017(3) Uiso 1 1 d . . . . .
H43 H 1.0025(12) -0.2113(12) 0.1990(10) 0.019(3) Uiso 1 1 d . . . . .
H44 H 0.8850(12) 0.3068(12) -0.0415(10) 0.015(3) Uiso 1 1 d . . . . .
H45 H 0.7708(18) -0.4686(17) 0.5811(15) 0.054(5) Uiso 1 1 d . . . . .
H46 H 0.5004(18) -0.2548(17) 0.7341(14) 0.054(5) Uiso 1 1 d . . . . .
H13 H 0.2602(15) 0.7269(14) 0.1928(12) 0.036(4) Uiso 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C1 1.8523(10) . ?
Si1 C24 1.8872(11) . ?
Si1 C18 1.8877(11) . ?
Si1 C21 1.8982(11) . ?
C1 C2 1.2073(14) . ?
Si2 C8 1.8411(11) . ?
Si2 C30 1.8904(11) . ?
Si2 C27 1.8914(11) . ?
Si2 C33 1.8916(12) . ?
C8 C7 1.2061(14) . ?
N1 C12 1.3070(12) . ?
N1 C10 1.3782(12) . ?
C25 C24 1.5368(16) . ?
C25 H2 0.986(16) . ?
C25 H20 0.955(16) . ?
C25 H21 0.995(17) . ?
N2 C11 1.3034(12) . ?
N2 C9 1.3778(12) . ?
C12 C11 1.4695(12) . ?
C12 C13 1.4801(13) . ?
C11 C16 1.4788(12) . ?
C9 C10 1.4237(13) . ?
C9 C6 1.4271(13) . ?
C2 C3 1.4362(13) . ?
C3 C4 1.3905(13) . ?
C3 C10 1.4312(12) . ?
C7 C6 1.4322(13) . ?
C4 C5 1.3994(13) . ?
C4 H42 0.947(13) . ?
C15 C15 1.3621(18) 2_755 ?
C15 C16 1.4069(13) . ?
C15 C13 1.4090(13) . ?
C13 C14 1.3880(13) . ?
C5 C6 1.3851(13) . ?
C5 H41 0.957(14) . ?
C16 C17 1.3891(13) . ?
C14 C17 1.4355(13) 2_755 ?
C14 H44 0.958(13) . ?
C17 C14 1.4355(13) 2_755 ?
C17 H43 0.978(13) . ?
C27 C29 1.5323(15) . ?
C27 C28 1.5358(16) . ?
C27 H5 0.993(14) . ?
C18 C19 1.5350(14) . ?
C18 C20 1.5371(14) . ?
C18 H22 0.987(14) . ?
C33 C34 1.5316(18) . ?
C33 C35 1.5338(16) . ?
C33 H23 0.996(16) . ?
C21 C23 1.5348(14) . ?
C21 C22 1.5422(14) . ?
C21 H10 0.987(14) . ?
C24 C26 1.5344(15) . ?
C24 H1 0.974(14) . ?
C19 H3 0.982(15) . ?
C19 H4 0.989(16) . ?
C19 H6 0.955(15) . ?
C30 C32 1.5315(17) . ?
C30 C31 1.5329(16) . ?
C30 H17 0.964(15) . ?
C20 H7 0.975(16) . ?
C20 H8 1.010(15) . ?
C20 H9 0.986(16) . ?
C23 H11 0.983(16) . ?
C23 H12 0.989(15) . ?
C23 H13 1.020(16) . ?
C22 H18 0.968(15) . ?
C22 H19 1.005(16) . ?
C22 H40 0.970(17) . ?
C26 H14 0.966(16) . ?
C26 H15 0.983(17) . ?
C26 H16 1.005(16) . ?
C28 H24 0.993(16) . ?
C28 H25 0.980(17) . ?
C28 H26 1.003(19) . ?
C29 H27 0.982(17) . ?
C29 H28 1.009(16) . ?
C29 H29 0.996(18) . ?
C31 H35 0.986(17) . ?
C31 H36 0.986(17) . ?
C31 H37 0.969(17) . ?
C32 H32 1.000(18) . ?
C32 H33 0.987(19) . ?
C32 H34 0.984(18) . ?
C34 H38 0.991(18) . ?
C34 H39 1.03(2) . ?
C34 H46 1.00(2) . ?
C35 H30 1.001(19) . ?
C35 H31 1.011(18) . ?
C35 H45 1.01(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Si1 C24 104.42(5) . . ?
C1 Si1 C18 109.18(5) . . ?
C24 Si1 C18 110.17(5) . . ?
C1 Si1 C21 109.49(4) . . ?
C24 Si1 C21 113.33(5) . . ?
C18 Si1 C21 110.05(5) . . ?
C2 C1 Si1 168.74(9) . . ?
C8 Si2 C30 105.65(5) . . ?
C8 Si2 C27 106.38(5) . . ?
C30 Si2 C27 109.95(5) . . ?
C8 Si2 C33 107.65(5) . . ?
C30 Si2 C33 110.26(5) . . ?
C27 Si2 C33 116.31(5) . . ?
C7 C8 Si2 172.23(9) . . ?
C12 N1 C10 114.88(8) . . ?
C24 C25 H2 110.9(9) . . ?
C24 C25 H20 112.5(9) . . ?
H2 C25 H20 105.1(13) . . ?
C24 C25 H21 109.6(10) . . ?
H2 C25 H21 109.3(13) . . ?
H20 C25 H21 109.3(13) . . ?
C11 N2 C9 114.86(8) . . ?
N1 C12 C11 122.93(8) . . ?
N1 C12 C13 128.99(8) . . ?
C11 C12 C13 108.07(8) . . ?
N2 C11 C12 123.01(8) . . ?
N2 C11 C16 128.66(8) . . ?
C12 C11 C16 108.31(8) . . ?
N2 C9 C10 122.25(8) . . ?
N2 C9 C6 117.75(8) . . ?
C10 C9 C6 120.00(8) . . ?
C1 C2 C3 178.19(10) . . ?
C4 C3 C10 118.55(8) . . ?
C4 C3 C2 121.56(8) . . ?
C10 C3 C2 119.88(8) . . ?
C8 C7 C6 178.83(10) . . ?
C3 C4 C5 121.62(9) . . ?
C3 C4 H42 118.9(8) . . ?
C5 C4 H42 119.4(8) . . ?
C15 C15 C16 121.76(11) 2_755 . ?
C15 C15 C13 121.84(11) 2_755 . ?
C16 C15 C13 116.39(8) . . ?
N1 C10 C9 122.04(8) . . ?
N1 C10 C3 118.30(8) . . ?
C9 C10 C3 119.67(8) . . ?
C14 C13 C15 117.63(8) . . ?
C14 C13 C12 138.74(9) . . ?
C15 C13 C12 103.63(8) . . ?
C6 C5 C4 121.19(9) . . ?
C6 C5 H41 118.2(8) . . ?
C4 C5 H41 120.6(8) . . ?
C17 C16 C15 117.70(8) . . ?
C17 C16 C11 138.70(9) . . ?
C15 C16 C11 103.60(8) . . ?
C13 C14 C17 120.53(9) . 2_755 ?
C13 C14 H44 120.5(8) . . ?
C17 C14 H44 119.0(8) 2_755 . ?
C16 C17 C14 120.53(8) . 2_755 ?
C16 C17 H43 120.4(8) . . ?
C14 C17 H43 119.1(8) 2_755 . ?
C5 C6 C9 118.93(8) . . ?
C5 C6 C7 121.61(8) . . ?
C9 C6 C7 119.44(8) . . ?
C29 C27 C28 110.94(10) . . ?
C29 C27 Si2 112.73(8) . . ?
C28 C27 Si2 114.24(8) . . ?
C29 C27 H5 108.3(8) . . ?
C28 C27 H5 106.6(8) . . ?
Si2 C27 H5 103.4(8) . . ?
C19 C18 C20 110.74(9) . . ?
C19 C18 Si1 112.76(7) . . ?
C20 C18 Si1 110.91(7) . . ?
C19 C18 H22 108.1(8) . . ?
C20 C18 H22 107.7(8) . . ?
Si1 C18 H22 106.4(8) . . ?
C34 C33 C35 110.14(10) . . ?
C34 C33 Si2 114.13(8) . . ?
C35 C33 Si2 113.57(9) . . ?
C34 C33 H23 105.4(9) . . ?
C35 C33 H23 107.6(9) . . ?
Si2 C33 H23 105.3(9) . . ?
C23 C21 C22 109.88(9) . . ?
C23 C21 Si1 113.92(7) . . ?
C22 C21 Si1 112.71(7) . . ?
C23 C21 H10 107.8(8) . . ?
C22 C21 H10 107.0(8) . . ?
Si1 C21 H10 105.0(8) . . ?
C26 C24 C25 109.67(9) . . ?
C26 C24 Si1 113.01(7) . . ?
C25 C24 Si1 110.53(7) . . ?
C26 C24 H1 107.9(8) . . ?
C25 C24 H1 109.0(8) . . ?
Si1 C24 H1 106.6(8) . . ?
C18 C19 H3 110.0(9) . . ?
C18 C19 H4 108.8(9) . . ?
H3 C19 H4 107.7(12) . . ?
C18 C19 H6 112.3(9) . . ?
H3 C19 H6 108.5(12) . . ?
H4 C19 H6 109.4(12) . . ?
C32 C30 C31 109.66(10) . . ?
C32 C30 Si2 111.47(8) . . ?
C31 C30 Si2 112.30(8) . . ?
C32 C30 H17 109.1(9) . . ?
C31 C30 H17 108.4(9) . . ?
Si2 C30 H17 105.8(9) . . ?
C18 C20 H7 110.6(9) . . ?
C18 C20 H8 110.4(8) . . ?
H7 C20 H8 107.9(12) . . ?
C18 C20 H9 111.7(9) . . ?
H7 C20 H9 109.0(13) . . ?
H8 C20 H9 107.1(12) . . ?
C21 C23 H11 111.2(9) . . ?
C21 C23 H12 111.0(9) . . ?
H11 C23 H12 109.1(12) . . ?
C21 C23 H13 108.8(9) . . ?
H11 C23 H13 108.2(13) . . ?
H12 C23 H13 108.3(12) . . ?
C21 C22 H18 110.9(9) . . ?
C21 C22 H19 111.0(9) . . ?
H18 C22 H19 106.0(12) . . ?
C21 C22 H40 112.7(10) . . ?
H18 C22 H40 106.7(13) . . ?
H19 C22 H40 109.2(13) . . ?
C24 C26 H14 113.7(9) . . ?
C24 C26 H15 111.3(10) . . ?
H14 C26 H15 108.3(13) . . ?
C24 C26 H16 109.1(9) . . ?
H14 C26 H16 105.3(12) . . ?
H15 C26 H16 108.8(13) . . ?
C27 C28 H24 110.6(9) . . ?
C27 C28 H25 111.2(10) . . ?
H24 C28 H25 106.9(13) . . ?
C27 C28 H26 109.7(10) . . ?
H24 C28 H26 109.0(14) . . ?
H25 C28 H26 109.2(14) . . ?
C27 C29 H27 110.2(10) . . ?
C27 C29 H28 109.2(9) . . ?
H27 C29 H28 108.6(13) . . ?
C27 C29 H29 111.4(10) . . ?
H27 C29 H29 108.0(13) . . ?
H28 C29 H29 109.4(13) . . ?
C30 C31 H35 111.3(10) . . ?
C30 C31 H36 110.2(9) . . ?
H35 C31 H36 108.3(13) . . ?
C30 C31 H37 111.7(9) . . ?
H35 C31 H37 107.8(13) . . ?
H36 C31 H37 107.3(13) . . ?
C30 C32 H32 111.2(10) . . ?
C30 C32 H33 110.3(11) . . ?
H32 C32 H33 108.8(14) . . ?
C30 C32 H34 109.8(10) . . ?
H32 C32 H34 107.6(14) . . ?
H33 C32 H34 109.1(14) . . ?
C33 C34 H38 111.2(10) . . ?
C33 C34 H39 109.4(10) . . ?
H38 C34 H39 107.5(14) . . ?
C33 C34 H46 113.8(11) . . ?
H38 C34 H46 106.7(15) . . ?
H39 C34 H46 107.9(15) . . ?
C33 C35 H30 110.3(10) . . ?
C33 C35 H31 109.1(10) . . ?
H30 C35 H31 108.9(14) . . ?
C33 C35 H45 111.7(11) . . ?
H30 C35 H45 109.2(15) . . ?
H31 C35 H45 107.5(14) . . ?

_refine_diff_density_max         0.415
_refine_diff_density_min         -0.227
_refine_diff_density_rms         0.045



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

data_shelxl
_audit_block_doi                 10.5517/ccdc.csd.cc1n7yxr
_database_code_depnum_ccdc_archive 'CCDC 1526995'
_audit_update_record             
;
2017-01-26 deposited with the CCDC.
2017-08-04 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         'C70 H92 N4 Si4'
_chemical_formula_sum            'C70 H92 N4 Si4'
_chemical_formula_weight         1101.83

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   7.7046(2)
_cell_length_b                   18.0195(5)
_cell_length_c                   35.6738(9)
_cell_angle_alpha                84.611(6)
_cell_angle_beta                 85.683(6)
_cell_angle_gamma                82.538(6)
_cell_volume                     4879.1(2)
_cell_formula_units_Z            3
_cell_measurement_temperature    103(2)
_cell_measurement_reflns_used    30417
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      24.42

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.125
_exptl_crystal_F_000             1788
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    0.134
_shelx_estimated_absorpt_T_min   0.974
_shelx_estimated_absorpt_T_max   0.999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.974
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      103(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.00
_diffrn_reflns_number            59863
_diffrn_reflns_av_unetI/netI     0.0929
_diffrn_reflns_av_R_equivalents  0.1104
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         3.001
_diffrn_reflns_theta_max         23.999
_diffrn_reflns_theta_full        23.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             15304
_reflns_number_gt                9928
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0624P)²+5.7797P] 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         15304
_refine_ls_number_parameters     1374
_refine_ls_number_restraints     497
_refine_ls_R_factor_all          0.1225
_refine_ls_R_factor_gt           0.0716
_refine_ls_wR_factor_ref         0.1664
_refine_ls_wR_factor_gt          0.1462
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1912(5) 0.52362(19) 0.51568(10) 0.0151(8) Uani 1 1 d . . . . .
N1 N 0.1318(4) 0.53295(16) 0.55048(8) 0.0166(7) Uani 1 1 d . . . . .
C2 C 0.1865(5) 0.47409(19) 0.57621(9) 0.0147(8) Uani 1 1 d . . . . .
C3 C 0.1349(5) 0.4810(2) 0.61514(10) 0.0173(8) Uani 1 1 d . . . . .
C4 C 0.1815(5) 0.4217(2) 0.64100(10) 0.0208(9) Uani 1 1 d . . . . .
H1 H 0.1466 0.4259 0.6669 0.025 Uiso 1 1 calc R U . . .
C5 C 0.2788(5) 0.3556(2) 0.63019(10) 0.0203(9) Uani 1 1 d . . . . .
H2 H 0.3059 0.3152 0.6487 0.024 Uiso 1 1 calc R U . . .
C6 C 0.3360(5) 0.3478(2) 0.59326(10) 0.0185(8) Uani 1 1 d . . . . .
C7 C 0.2938(5) 0.4084(2) 0.56546(10) 0.0169(8) Uani 1 1 d . . . . .
N2 N 0.3584(4) 0.40103(16) 0.52857(8) 0.0156(7) Uani 1 1 d . . . . .
C8 C 0.3087(5) 0.45774(19) 0.50482(10) 0.0151(8) Uani 1 1 d . . . . .
C9 C 0.3540(5) 0.46906(19) 0.46366(10) 0.0159(8) Uani 1 1 d . . . . .
C10 C 0.4598(5) 0.4323(2) 0.43617(10) 0.0162(8) Uani 1 1 d . . . . .
H3 H 0.5268 0.3854 0.4427 0.019 Uiso 1 1 calc R U . . .
C11 C 0.4684(5) 0.4647(2) 0.39803(10) 0.0165(8) Uani 1 1 d . . . . .
H4 H 0.5430 0.4396 0.3795 0.020 Uiso 1 1 calc R U . . .
C12 C 0.3689(5) 0.53232(19) 0.38775(10) 0.0158(8) Uani 1 1 d . . . . .
C13 C 0.3353(5) 0.5835(2) 0.35351(10) 0.0184(8) Uani 1 1 d . . . . .
N3 N 0.4039(4) 0.57738(16) 0.31921(8) 0.0182(7) Uani 1 1 d . . . . .
C14 C 0.3402(5) 0.6344(2) 0.29305(10) 0.0196(9) Uani 1 1 d . . . . .
C15 C 0.4113(5) 0.6325(2) 0.25496(10) 0.0244(9) Uani 1 1 d . . . . .
C16 C 0.3439(6) 0.6868(2) 0.22832(11) 0.0321(11) Uani 1 1 d . . . . .
H5 H 0.3909 0.6863 0.2029 0.039 Uiso 1 1 calc R U . . .
C17 C 0.2090(6) 0.7422(2) 0.23764(11) 0.0290(10) Uani 1 1 d . . . . .
H6 H 0.1634 0.7779 0.2184 0.035 Uiso 1 1 calc R U . . .
C18 C 0.1395(5) 0.7465(2) 0.27440(10) 0.0251(9) Uani 1 1 d . . . . .
C19 C 0.2077(5) 0.6920(2) 0.30277(10) 0.0200(9) Uani 1 1 d . . . . .
N4 N 0.1408(4) 0.69907(16) 0.33936(8) 0.0189(7) Uani 1 1 d . . . . .
C20 C 0.2050(5) 0.6459(2) 0.36380(10) 0.0169(8) Uani 1 1 d . . . . .
C21 C 0.1636(5) 0.63605(19) 0.40517(10) 0.0161(8) Uani 1 1 d . . . . .
C22 C 0.0584(5) 0.67261(19) 0.43276(10) 0.0155(8) Uani 1 1 d . . . . .
H7 H -0.0130 0.7183 0.4260 0.019 Uiso 1 1 calc R U . . .
C23 C 0.0563(5) 0.64208(19) 0.47135(10) 0.0168(8) Uani 1 1 d . . . . .
H8 H -0.0141 0.6682 0.4901 0.020 Uiso 1 1 calc R U . . .
C24 C 0.1565(5) 0.5747(2) 0.48137(10) 0.0164(8) Uani 1 1 d . . . . .
C25 C 0.2587(5) 0.53825(19) 0.45273(10) 0.0146(8) Uani 1 1 d . . . . .
C26 C 0.2636(5) 0.56762(19) 0.41616(10) 0.0146(8) Uani 1 1 d . . . . .
C27 C 0.0368(5) 0.5501(2) 0.62621(10) 0.0183(9) Uani 1 1 d . . . . .
C28 C -0.0409(5) 0.6091(2) 0.63552(10) 0.0196(9) Uani 1 1 d . . . . .
Si1 Si -0.16013(14) 0.70076(6) 0.64503(3) 0.0182(2) Uani 1 1 d . . . . .
C29 C -0.2870(5) 0.7360(2) 0.60235(10) 0.0206(9) Uani 1 1 d . . . . .
H9 H -0.3948 0.7100 0.6048 0.025 Uiso 1 1 calc R U . . .
C30 C -0.1894(5) 0.7161(2) 0.56467(10) 0.0260(9) Uani 1 1 d . . . . .
H10 H -0.1500 0.6620 0.5659 0.039 Uiso 1 1 calc R U . . .
H11 H -0.2684 0.7298 0.5442 0.039 Uiso 1 1 calc R U . . .
H12 H -0.0875 0.7439 0.5600 0.039 Uiso 1 1 calc R U . . .
C31 C -0.3500(6) 0.8204(2) 0.60115(11) 0.0329(11) Uani 1 1 d . . . . .
H13 H -0.4118 0.8321 0.6253 0.049 Uiso 1 1 calc R U . . .
H14 H -0.2488 0.8486 0.5966 0.049 Uiso 1 1 calc R U . . .
H15 H -0.4297 0.8344 0.5808 0.049 Uiso 1 1 calc R U . . .
C32 C -0.3076(5) 0.6857(2) 0.68893(10) 0.0212(9) Uani 1 1 d . . . . .
H16 H -0.2301 0.6625 0.7092 0.025 Uiso 1 1 calc R U . . .
C33 C -0.4370(5) 0.6295(2) 0.68428(11) 0.0265(10) Uani 1 1 d . . . . .
H17 H -0.3725 0.5834 0.6753 0.040 Uiso 1 1 calc R U . . .
H18 H -0.4994 0.6178 0.7086 0.040 Uiso 1 1 calc R U . . .
H19 H -0.5217 0.6517 0.6659 0.040 Uiso 1 1 calc R U . . .
C34 C -0.4044(5) 0.7589(2) 0.70298(11) 0.0279(10) Uani 1 1 d . . . . .
H20 H -0.3195 0.7937 0.7057 0.042 Uiso 1 1 calc R U . . .
H21 H -0.4889 0.7817 0.6847 0.042 Uiso 1 1 calc R U . . .
H22 H -0.4666 0.7478 0.7274 0.042 Uiso 1 1 calc R U . . .
C35 C 0.0051(5) 0.7640(2) 0.65435(11) 0.0256(9) Uani 1 1 d . . . . .
H23 H -0.0596 0.8153 0.6571 0.031 Uiso 1 1 calc R U . . .
C36 C 0.0901(6) 0.7376(3) 0.69177(11) 0.0339(11) Uani 1 1 d . . . . .
H24 H -0.0018 0.7331 0.7121 0.051 Uiso 1 1 calc R U . . .
H25 H 0.1603 0.6886 0.6895 0.051 Uiso 1 1 calc R U . . .
H26 H 0.1659 0.7742 0.6975 0.051 Uiso 1 1 calc R U . . .
C37 C 0.1470(6) 0.7712(3) 0.62225(11) 0.0371(11) Uani 1 1 d . . . . .
H27 H 0.0916 0.7881 0.5986 0.056 Uiso 1 1 calc R U . . .
H28 H 0.2229 0.8079 0.6278 0.056 Uiso 1 1 calc R U . . .
H29 H 0.2173 0.7223 0.6198 0.056 Uiso 1 1 calc R U . . .
C38 C 0.4340(5) 0.2793(2) 0.58160(10) 0.0184(8) Uani 1 1 d . . . . .
C39 C 0.5123(5) 0.2212(2) 0.57220(10) 0.0206(9) Uani 1 1 d . . . . .
Si2 Si 0.63547(14) 0.13747(6) 0.55261(3) 0.0182(2) Uani 1 1 d . . . . .
C40 C 0.7696(5) 0.1721(2) 0.50950(10) 0.0225(9) Uani 1 1 d . . . . .
H30 H 0.8768 0.1883 0.5188 0.027 Uiso 1 1 calc R U . . .
C41 C 0.8332(6) 0.1098(2) 0.48361(11) 0.0332(11) Uani 1 1 d . . . . .
H31 H 0.8916 0.0663 0.4984 0.050 Uiso 1 1 calc R U . . .
H32 H 0.7327 0.0950 0.4721 0.050 Uiso 1 1 calc R U . . .
H33 H 0.9161 0.1281 0.4638 0.050 Uiso 1 1 calc R U . . .
C42 C 0.6780(5) 0.2405(2) 0.48682(10) 0.0253(9) Uani 1 1 d . . . . .
H34 H 0.6377 0.2801 0.5036 0.038 Uiso 1 1 calc R U . . .
H35 H 0.7605 0.2591 0.4670 0.038 Uiso 1 1 calc R U . . .
H36 H 0.5772 0.2260 0.4753 0.038 Uiso 1 1 calc R U . . .
C43 C 0.4711(5) 0.0743(2) 0.54169(11) 0.0245(9) Uani 1 1 d . . . . .
H37 H 0.5374 0.0320 0.5283 0.029 Uiso 1 1 calc R U . . .
C44 C 0.3328(5) 0.1141(2) 0.51568(12) 0.0329(11) Uani 1 1 d . . . . .
H38 H 0.3910 0.1356 0.4926 0.049 Uiso 1 1 calc R U . . .
H39 H 0.2576 0.0779 0.5093 0.049 Uiso 1 1 calc R U . . .
H40 H 0.2612 0.1543 0.5285 0.049 Uiso 1 1 calc R U . . .
C45 C 0.3846(5) 0.0402(2) 0.57799(11) 0.0295(10) Uani 1 1 d . . . . .
H41 H 0.4753 0.0150 0.5943 0.044 Uiso 1 1 calc R U . . .
H42 H 0.3132 0.0800 0.5912 0.044 Uiso 1 1 calc R U . . .
H43 H 0.3096 0.0036 0.5719 0.044 Uiso 1 1 calc R U . . .
C46 C 0.7773(5) 0.0874(2) 0.59008(10) 0.0219(9) Uani 1 1 d . . . . .
H44 H 0.6963 0.0761 0.6125 0.026 Uiso 1 1 calc R U . . .
C47 C 0.8737(5) 0.0115(2) 0.57957(12) 0.0289(10) Uani 1 1 d . . . . .
H45 H 0.7895 -0.0190 0.5713 0.043 Uiso 1 1 calc R U . . .
H46 H 0.9630 0.0197 0.5591 0.043 Uiso 1 1 calc R U . . .
H47 H 0.9301 -0.0149 0.6016 0.043 Uiso 1 1 calc R U . . .
C48 C 0.9063(5) 0.1361(2) 0.60312(11) 0.0246(9) Uani 1 1 d . . . . .
H48 H 0.8428 0.1843 0.6097 0.037 Uiso 1 1 calc R U . . .
H49 H 0.9628 0.1103 0.6253 0.037 Uiso 1 1 calc R U . . .
H50 H 0.9958 0.1449 0.5827 0.037 Uiso 1 1 calc R U . . .
C49 C 0.5519(6) 0.5773(2) 0.24358(10) 0.0282(10) Uani 1 1 d . . . . .
C50 C 0.6691(6) 0.5368(2) 0.22914(11) 0.0358(11) Uani 1 1 d . . . . .
Si3 Si 0.85156(15) 0.48788(6) 0.20082(3) 0.0248(3) Uani 1 1 d . . . . .
C51 C 0.9048(6) 0.5586(2) 0.16080(12) 0.0369(11) Uani 1 1 d . . . . .
H51 H 0.9956 0.5323 0.1435 0.044 Uiso 1 1 calc R U . . .
C52 C 0.9842(7) 0.6249(3) 0.17370(13) 0.0515(14) Uani 1 1 d . . . . .
H52 H 1.0851 0.6059 0.1885 0.077 Uiso 1 1 calc R U . . .
H53 H 1.0223 0.6566 0.1516 0.077 Uiso 1 1 calc R U . . .
H54 H 0.8958 0.6545 0.1892 0.077 Uiso 1 1 calc R U . . .
C53 C 0.7463(8) 0.5879(3) 0.13751(13) 0.0571(15) Uani 1 1 d . . . . .
H55 H 0.6961 0.5453 0.1293 0.086 Uiso 1 1 calc R U . . .
H56 H 0.6576 0.6174 0.1530 0.086 Uiso 1 1 calc R U . . .
H57 H 0.7841 0.6196 0.1153 0.086 Uiso 1 1 calc R U . . .
C54 C 0.7713(6) 0.4044(3) 0.18360(11) 0.0390(12) Uani 1 1 d . . . . .
H58 H 0.8854 0.3775 0.1740 0.059 Uiso 0.445(9) 1 calc R U P A 3
H59 H 0.6537 0.4265 0.1750 0.059 Uiso 0.555(9) 1 calc R U P A 4
C55 C 0.6682(12) 0.4054(5) 0.1501(2) 0.030(3) Uani 0.445(9) 1 d . . P A 3
H60 H 0.7057 0.4431 0.1306 0.044 Uiso 0.445(9) 1 calc R U P A 3
H61 H 0.6874 0.3558 0.1403 0.044 Uiso 0.445(9) 1 calc R U P A 3
H62 H 0.5433 0.4181 0.1573 0.044 Uiso 0.445(9) 1 calc R U P A 3
C141 C 0.8529(12) 0.3757(5) 0.1502(2) 0.043(3) Uani 0.555(9) 1 d . . P A 4
H63 H 0.8792 0.4175 0.1319 0.064 Uiso 0.555(9) 1 calc R U P A 4
H64 H 0.9620 0.3438 0.1561 0.064 Uiso 0.555(9) 1 calc R U P A 4
H65 H 0.7740 0.3460 0.1395 0.064 Uiso 0.555(9) 1 calc R U P A 4
C56 C 0.7210(6) 0.3473(2) 0.21518(11) 0.0340(11) Uani 1 1 d . . . . .
H66 H 0.6659 0.3735 0.2367 0.051 Uiso 1 1 calc R U . . .
H67 H 0.6383 0.3169 0.2063 0.051 Uiso 1 1 calc R U . . .
H68 H 0.8263 0.3147 0.2229 0.051 Uiso 1 1 calc R U . . .
C57 C 1.0415(6) 0.4559(2) 0.23109(11) 0.0315(10) Uani 1 1 d . . . . .
H69 H 1.0199 0.4057 0.2438 0.038 Uiso 1 1 calc R U . . .
C58 C 1.0565(7) 0.5058(3) 0.26244(12) 0.0460(13) Uani 1 1 d . . . . .
H70 H 0.9437 0.5134 0.2770 0.069 Uiso 1 1 calc R U . . .
H71 H 1.1469 0.4817 0.2791 0.069 Uiso 1 1 calc R U . . .
H72 H 1.0886 0.5544 0.2514 0.069 Uiso 1 1 calc R U . . .
C59 C 1.2168(6) 0.4431(3) 0.20781(13) 0.0448(12) Uani 1 1 d . . . . .
H73 H 1.2051 0.4108 0.1877 0.067 Uiso 1 1 calc R U . . .
H74 H 1.2495 0.4915 0.1966 0.067 Uiso 1 1 calc R U . . .
H75 H 1.3078 0.4187 0.2242 0.067 Uiso 1 1 calc R U . . .
C60 C 0.0009(6) 0.8052(2) 0.28210(10) 0.0260(10) Uani 1 1 d . . . . .
C61 C -0.1161(6) 0.8568(2) 0.28356(11) 0.0269(10) Uani 1 1 d . . . . .
Si4 Si -0.28937(15) 0.93615(6) 0.27599(3) 0.0250(3) Uani 1 1 d . . . . .
C62 C -0.3436(6) 0.9338(2) 0.22528(12) 0.0322(10) Uiso 1 1 d . . . . .
H76 H -0.4389 0.9754 0.2192 0.048 Uiso 0.501(9) 1 calc R U P B 5
H77 H -0.2351 0.9417 0.2089 0.048 Uiso 0.499(9) 1 calc R U P B 6
C63 C -0.4011(8) 0.8594(3) 0.21645(13) 0.0669(18) Uani 1 1 d . . . . .
H78 H -0.5046 0.8491 0.2328 0.100 Uiso 1 1 calc R U . . .
H79 H -0.4300 0.8629 0.1900 0.100 Uiso 1 1 calc R U . . .
H80 H -0.3056 0.8187 0.2209 0.100 Uiso 1 1 calc R U . . .
C64 C -0.1875(12) 0.9438(5) 0.1991(2) 0.035(3) Uani 0.501(9) 1 d . . P B 5
H81 H -0.1431 0.9908 0.2032 0.053 Uiso 0.501(9) 1 calc R U P B 5
H82 H -0.0960 0.9015 0.2038 0.053 Uiso 0.501(9) 1 calc R U P B 5
H83 H -0.2204 0.9457 0.1730 0.053 Uiso 0.501(9) 1 calc R U P B 5
C142 C -0.4853(14) 0.9935(6) 0.2128(3) 0.054(3) Uani 0.499(9) 1 d . . P B 6
H84 H -0.4552 1.0427 0.2178 0.082 Uiso 0.499(9) 1 calc R U P B 6
H85 H -0.4975 0.9926 0.1857 0.082 Uiso 0.499(9) 1 calc R U P B 6
H86 H -0.5963 0.9846 0.2268 0.082 Uiso 0.499(9) 1 calc R U P B 6
C65 C -0.1891(6) 1.0245(2) 0.28108(12) 0.0346(11) Uani 1 1 d . . . . .
H87 H -0.2816 1.0671 0.2746 0.052 Uiso 0.488(9) 1 calc R U P C 1
H88 H -0.0722 1.0188 0.2667 0.052 Uiso 0.512(9) 1 calc R U P C 2
C66 C -0.0251(13) 1.0353(6) 0.2508(3) 0.051(3) Uani 0.488(9) 1 d . . P C 1
H89 H -0.0598 1.0302 0.2254 0.077 Uiso 0.488(9) 1 calc R U P C 1
H90 H 0.0106 1.0853 0.2519 0.077 Uiso 0.488(9) 1 calc R U P C 1
H91 H 0.0733 0.9969 0.2569 0.077 Uiso 0.488(9) 1 calc R U P C 1
C143 C -0.2919(15) 1.0934(5) 0.2625(3) 0.053(3) Uani 0.512(9) 1 d . . P C 2
H92 H -0.3107 1.0848 0.2365 0.080 Uiso 0.512(9) 1 calc R U P C 2
H93 H -0.4055 1.1038 0.2765 0.080 Uiso 0.512(9) 1 calc R U P C 2
H94 H -0.2262 1.1365 0.2624 0.080 Uiso 0.512(9) 1 calc R U P C 2
C67 C -0.1513(8) 1.0312(3) 0.32203(14) 0.0638(17) Uani 1 1 d . . . . .
H95 H -0.0845 0.9845 0.3321 0.096 Uiso 1 1 calc R U . . .
H96 H -0.0830 1.0731 0.3231 0.096 Uiso 1 1 calc R U . . .
H97 H -0.2623 1.0404 0.3372 0.096 Uiso 1 1 calc R U . . .
C68 C -0.4784(6) 0.9255(3) 0.31155(12) 0.0387(12) Uani 1 1 d . . . . .
H98 H -0.4236 0.9143 0.3363 0.058 Uiso 0.44(2) 1 calc R U P D 3
H99 H -0.4491 0.9402 0.3364 0.058 Uiso 0.56(2) 1 calc R U P D 4
C69 C -0.5894(18) 1.0048(6) 0.3143(3) 0.029(3) Uani 0.44(2) 1 d . . P D 3
H100 H -0.5106 1.0427 0.3160 0.044 Uiso 0.44(2) 1 calc R U P D 3
H101 H -0.6562 1.0177 0.2918 0.044 Uiso 0.44(2) 1 calc R U P D 3
H102 H -0.6706 1.0034 0.3368 0.044 Uiso 0.44(2) 1 calc R U P D 3
C70 C -0.5738(18) 0.8650(8) 0.3089(3) 0.035(3) Uiso 0.44(2) 1 d . . P D 3
H103 H -0.4926 0.8187 0.3073 0.053 Uiso 0.44(2) 1 calc R U P D 3
H104 H -0.6548 0.8600 0.3312 0.053 Uiso 0.44(2) 1 calc R U P D 3
H105 H -0.6404 0.8743 0.2862 0.053 Uiso 0.44(2) 1 calc R U P D 3
C144 C -0.6570(17) 0.9712(11) 0.2998(5) 0.081(7) Uani 0.56(2) 1 d . . P D 4
H106 H -0.6440 1.0248 0.2960 0.122 Uiso 0.56(2) 1 calc R U P D 4
H107 H -0.6894 0.9542 0.2762 0.122 Uiso 0.56(2) 1 calc R U P D 4
H108 H -0.7489 0.9630 0.3197 0.122 Uiso 0.56(2) 1 calc R U P D 4
C145 C -0.5257(16) 0.8394(7) 0.3163(3) 0.044(3) Uiso 0.56(2) 1 d . . P D 4
H109 H -0.4222 0.8053 0.3238 0.066 Uiso 0.56(2) 1 calc R U P D 4
H110 H -0.6216 0.8350 0.3358 0.066 Uiso 0.56(2) 1 calc R U P D 4
H111 H -0.5620 0.8263 0.2923 0.066 Uiso 0.56(2) 1 calc R U P D 4
C71 C 0.7683(17) 0.4725(6) 0.0367(2) 0.0169(18) Uani 0.5 1 d . U P E -1
N5 N 0.899(2) 0.4365(6) 0.0548(3) 0.019(3) Uani 0.5 1 d . U P E -1
C72 C 1.0200(16) 0.4794(5) 0.0646(2) 0.0193(19) Uani 0.5 1 d . U P E -1
C73 C 1.1652(19) 0.4444(6) 0.0852(3) 0.019(3) Uani 0.5 1 d . U P E -1
C74 C 1.2876(13) 0.4856(6) 0.0935(2) 0.024(2) Uani 0.5 1 d . U P E -1
H112 H 1.3869 0.4614 0.1060 0.029 Uiso 0.5 1 calc R U P E -1
C75 C 1.2734(17) 0.5641(6) 0.0842(3) 0.016(3) Uani 0.5 1 d . U P E -1
H113 H 1.3627 0.5915 0.0907 0.020 Uiso 0.5 1 calc R U P E -1
C76 C 1.1327(15) 0.6015(6) 0.0659(3) 0.023(2) Uani 0.5 1 d . U P E -1
C77 C 1.001(3) 0.5596(8) 0.0546(3) 0.019(3) Uani 0.5 1 d . U P E -1
N6 N 0.8597(12) 0.5975(5) 0.0367(2) 0.0198(18) Uani 0.5 1 d . U P E -1
C78 C 0.7485(19) 0.5544(7) 0.0273(3) 0.014(3) Uani 0.5 1 d . U P E -1
C79 C 0.5843(15) 0.5764(7) 0.0073(3) 0.021(2) Uani 0.5 1 d . U P E -1
C80 C 0.4954(18) 0.6400(7) -0.0084(3) 0.017(3) Uani 0.5 1 d . U P E -1
H114 H 0.5398 0.6867 -0.0081 0.021 Uiso 0.5 1 calc R U P E -1
C81 C 0.3316(13) 0.6367(5) -0.0257(2) 0.0175(19) Uani 0.5 1 d . U P E -1
H115 H 0.2664 0.6816 -0.0357 0.021 Uiso 0.5 1 calc R U P E -1
C82 C 0.2705(15) 0.5679(6) -0.0276(2) 0.0170(18) Uani 0.5 1 d . U P E -1
C83 C 0.119(3) 0.5396(8) -0.0417(4) 0.018(3) Uani 0.5 1 d . U P E -1
N7 N -0.0132(12) 0.5755(5) -0.0591(2) 0.0195(17) Uani 0.5 1 d . U P E -1
C84 C -0.1310(18) 0.5316(6) -0.0703(3) 0.013(2) Uani 0.5 1 d . U P E -1
C85 C -0.2775(15) 0.5681(5) -0.0904(3) 0.024(2) Uani 0.5 1 d . U P E -1
C86 C -0.3942(13) 0.5233(5) -0.1012(2) 0.0231(19) Uani 0.5 1 d . U P E -1
H116 H -0.4927 0.5464 -0.1143 0.028 Uiso 0.5 1 calc R U P E -1
C87 C -0.3726(14) 0.4460(5) -0.0937(2) 0.023(2) Uani 0.5 1 d . U P E -1
H117 H -0.4565 0.4175 -0.1016 0.027 Uiso 0.5 1 calc R U P E -1
C88 C -0.2295(19) 0.4091(7) -0.0747(3) 0.017(3) Uani 0.5 1 d . U P E -1
C89 C -0.1060(16) 0.4519(6) -0.0622(2) 0.0181(19) Uani 0.5 1 d . U P E -1
N8 N 0.0325(19) 0.4150(6) -0.0430(3) 0.017(3) Uani 0.5 1 d . U P E -1
C90 C 0.1418(15) 0.4578(6) -0.0335(2) 0.021(2) Uani 0.5 1 d . U P E -1
C91 C 0.308(2) 0.4355(7) -0.0135(3) 0.018(3) Uani 0.5 1 d . U P E -1
C92 C 0.3986(14) 0.3705(6) 0.0021(2) 0.021(2) Uani 0.5 1 d . U P E -1
H118 H 0.3550 0.3238 0.0013 0.025 Uiso 0.5 1 calc R U P E -1
C93 C 0.5590(18) 0.3732(6) 0.0198(3) 0.016(3) Uani 0.5 1 d . U P E -1
H119 H 0.6230 0.3284 0.0303 0.019 Uiso 0.5 1 calc R U P E -1
C94 C 0.6201(14) 0.4430(6) 0.0213(2) 0.0183(18) Uani 0.5 1 d . U P E -1
C95 C 0.522(3) 0.5063(10) 0.0055(4) 0.016(4) Uani 0.5 1 d . U P E -1
C96 C 0.3696(13) 0.5038(6) -0.0112(2) 0.020(2) Uani 0.5 1 d . U P E -1
C97 C 1.1699(12) 0.3670(5) 0.0976(2) 0.0230(18) Uani 0.5 1 d . U P E -1
C98 C 1.1768(12) 0.3023(5) 0.1111(2) 0.0234(18) Uani 0.5 1 d . U P E -1
Si5 Si 1.1782(4) 0.20175(15) 0.12624(7) 0.0239(6) Uani 0.5 1 d . U P E -1
C99 C 0.9458(11) 0.1808(5) 0.1273(2) 0.033(2) Uani 0.5 1 d . U P E -1
H120 H 0.8877 0.1996 0.1513 0.040 Uiso 0.5 1 calc R U P E -1
C100 C 0.8398(13) 0.2242(5) 0.0952(3) 0.038(2) Uani 0.5 1 d . U P E -1
H121 H 0.8534 0.2777 0.0942 0.057 Uiso 0.5 1 calc R U P E -1
H122 H 0.8835 0.2046 0.0711 0.057 Uiso 0.5 1 calc R U P E -1
H123 H 0.7156 0.2177 0.1001 0.057 Uiso 0.5 1 calc R U P E -1
C101 C 0.9295(12) 0.0972(5) 0.1303(3) 0.047(3) Uani 0.5 1 d . U P E -1
H124 H 0.9980 0.0717 0.1508 0.070 Uiso 0.5 1 calc R U P E -1
H125 H 0.8060 0.0896 0.1354 0.070 Uiso 0.5 1 calc R U P E -1
H126 H 0.9739 0.0765 0.1064 0.070 Uiso 0.5 1 calc R U P E -1
C102 C 1.3356(12) 0.1536(5) 0.0898(2) 0.031(2) Uani 0.5 1 d . U P E -1
H127 H 1.4394 0.1821 0.0863 0.038 Uiso 0.5 1 calc R U P E -1
C103 C 1.4056(13) 0.0725(5) 0.1029(3) 0.038(2) Uani 0.5 1 d . U P E -1
H128 H 1.4578 0.0714 0.1272 0.056 Uiso 0.5 1 calc R U P E -1
H129 H 1.3090 0.0416 0.1056 0.056 Uiso 0.5 1 calc R U P E -1
H130 H 1.4949 0.0526 0.0841 0.056 Uiso 0.5 1 calc R U P E -1
C104 C 1.248(3) 0.1636(11) 0.0511(7) 0.028(4) Uiso 0.5 1 d . U P E -1
H131 H 1.2074 0.2169 0.0450 0.042 Uiso 0.5 1 calc R U P E -1
H132 H 1.3342 0.1457 0.0313 0.042 Uiso 0.5 1 calc R U P E -1
H133 H 1.1483 0.1346 0.0529 0.042 Uiso 0.5 1 calc R U P E -1
C105 C 1.2657(13) 0.1824(5) 0.1736(3) 0.024(2) Uani 0.5 1 d . U P E -1
H134 H 1.2730 0.1269 0.1799 0.028 Uiso 0.5 1 calc R U P E -1
C106 C 1.1475(16) 0.2191(6) 0.2051(2) 0.034(2) Uani 0.5 1 d . U P E -1
H135 H 1.0282 0.2061 0.2044 0.051 Uiso 0.5 1 calc R U P E -1
H136 H 1.1934 0.2008 0.2296 0.051 Uiso 0.5 1 calc R U P E -1
H137 H 1.1454 0.2738 0.2014 0.051 Uiso 0.5 1 calc R U P E -1
C107 C 1.4523(12) 0.2031(5) 0.1749(2) 0.034(2) Uani 0.5 1 d . U P E -1
H138 H 1.5284 0.1799 0.1548 0.051 Uiso 0.5 1 calc R U P E -1
H139 H 1.4498 0.2578 0.1712 0.051 Uiso 0.5 1 calc R U P E -1
H140 H 1.4977 0.1848 0.1994 0.051 Uiso 0.5 1 calc R U P E -1
C108 C 1.1159(13) 0.6818(6) 0.0597(3) 0.022(2) Uani 0.5 1 d . U P E -1
C109 C 1.1197(19) 0.7486(10) 0.0595(4) 0.029(3) Uani 0.5 1 d . U P E -1
Si6 Si 1.0981(6) 0.8400(5) 0.0679(3) 0.0179(10) Uani 0.5 1 d . U P E -1
C110 C 0.8731(12) 0.8552(5) 0.0530(3) 0.037(2) Uani 0.5 1 d . U P E -1
H141 H 0.8820 0.8599 0.0247 0.044 Uiso 0.5 1 calc R U P E -1
C111 C 0.7666(12) 0.7879(5) 0.0655(3) 0.045(2) Uani 0.5 1 d . U P E -1
H142 H 0.8335 0.7412 0.0577 0.067 Uiso 0.5 1 calc R U P E -1
H143 H 0.7456 0.7839 0.0930 0.067 Uiso 0.5 1 calc R U P E -1
H144 H 0.6541 0.7962 0.0537 0.067 Uiso 0.5 1 calc R U P E -1
C112 C 0.7679(14) 0.9297(6) 0.0653(3) 0.046(3) Uani 0.5 1 d . U P E -1
H145 H 0.8353 0.9716 0.0574 0.070 Uiso 0.5 1 calc R U P E -1
H146 H 0.6553 0.9383 0.0535 0.070 Uiso 0.5 1 calc R U P E -1
H147 H 0.7469 0.9260 0.0928 0.070 Uiso 0.5 1 calc R U P E -1
C113 C 1.1243(13) 0.8741(5) 0.1144(2) 0.036(2) Uani 0.5 1 d . U P E -1
H148 H 1.0898 0.9297 0.1120 0.044 Uiso 0.5 1 calc R U P E -1
C114 C 1.3198(16) 0.8602(7) 0.1254(4) 0.063(4) Uani 0.5 1 d . U P E -1
H149 H 1.3954 0.8805 0.1046 0.095 Uiso 0.5 1 calc R U P E -1
H150 H 1.3310 0.8853 0.1481 0.095 Uiso 0.5 1 calc R U P E -1
H151 H 1.3553 0.8061 0.1302 0.095 Uiso 0.5 1 calc R U P E -1
C115 C 1.0147(15) 0.8429(5) 0.1463(2) 0.049(3) Uani 0.5 1 d . U P E -1
H152 H 0.8915 0.8509 0.1401 0.074 Uiso 0.5 1 calc R U P E -1
H153 H 1.0521 0.7889 0.1510 0.074 Uiso 0.5 1 calc R U P E -1
H154 H 1.0278 0.8681 0.1689 0.074 Uiso 0.5 1 calc R U P E -1
C116 C 1.195(2) 0.8959(7) 0.0270(4) 0.071(4) Uiso 0.5 1 d . U P E -1
H155 H 1.0876 0.9055 0.0124 0.086 Uiso 0.5 1 calc R U P E -1
C117 C 1.304(2) 0.8611(8) -0.0010(4) 0.086(5) Uiso 0.5 1 d . U P E -1
H156 H 1.2825 0.8087 -0.0009 0.129 Uiso 0.5 1 calc R U P E -1
H157 H 1.2802 0.8875 -0.0257 0.129 Uiso 0.5 1 calc R U P E -1
H158 H 1.4274 0.8626 0.0039 0.129 Uiso 0.5 1 calc R U P E -1
C118 C 1.2165(10) 0.9744(4) 0.0295(2) 0.0156(16) Uiso 0.5 1 d . U P E -1
H159 H 1.1359 0.9946 0.0496 0.023 Uiso 0.5 1 calc R U P E -1
H160 H 1.3376 0.9782 0.0350 0.023 Uiso 0.5 1 calc R U P E -1
H161 H 1.1904 1.0031 0.0054 0.023 Uiso 0.5 1 calc R U P E -1
C119 C -0.2918(12) 0.6460(5) -0.1009(2) 0.0207(18) Uani 0.5 1 d . U P E -1
C120 C -0.3034(13) 0.7121(5) -0.1119(2) 0.0256(19) Uani 0.5 1 d . U P E -1
Si7 Si -0.2838(4) 0.81172(15) -0.12398(8) 0.0259(6) Uani 0.5 1 d . U P E -1
C121 C -0.5120(13) 0.8655(5) -0.1213(3) 0.042(2) Uani 0.5 1 d . U P E -1
H162 H -0.5743 0.8444 -0.0979 0.051 Uiso 0.5 1 calc R U P E -1
C122 C -0.5132(19) 0.9484(6) -0.1174(4) 0.079(4) Uani 0.5 1 d . U P E -1
H163 H -0.4439 0.9550 -0.0963 0.118 Uiso 0.5 1 calc R U P E -1
H164 H -0.4623 0.9723 -0.1408 0.118 Uiso 0.5 1 calc R U P E -1
H165 H -0.6342 0.9715 -0.1127 0.118 Uiso 0.5 1 calc R U P E -1
C123 C -0.6192(13) 0.8543(6) -0.1540(3) 0.049(3) Uani 0.5 1 d . U P E -1
H166 H -0.6177 0.8005 -0.1564 0.073 Uiso 0.5 1 calc R U P E -1
H167 H -0.7404 0.8773 -0.1494 0.073 Uiso 0.5 1 calc R U P E -1
H168 H -0.5685 0.8781 -0.1775 0.073 Uiso 0.5 1 calc R U P E -1
C124 C -0.1639(16) 0.8214(6) -0.1721(3) 0.035(3) Uani 0.5 1 d . U P E -1
H169 H -0.0419 0.7962 -0.1688 0.042 Uiso 0.5 1 calc R U P E -1
C125 C -0.1451(16) 0.9017(6) -0.1859(3) 0.063(3) Uani 0.5 1 d . U P E -1
H170 H -0.0993 0.9263 -0.1660 0.094 Uiso 0.5 1 calc R U P E -1
H171 H -0.0638 0.9029 -0.2083 0.094 Uiso 0.5 1 calc R U P E -1
H172 H -0.2599 0.9281 -0.1922 0.094 Uiso 0.5 1 calc R U P E -1
C126 C -0.2346(16) 0.7810(8) -0.2020(4) 0.050(4) Uiso 0.5 1 d . U P E -1
H173 H -0.2454 0.7290 -0.1923 0.075 Uiso 0.5 1 calc R U P E -1
H174 H -0.3500 0.8066 -0.2085 0.075 Uiso 0.5 1 calc R U P E -1
H175 H -0.1539 0.7814 -0.2246 0.075 Uiso 0.5 1 calc R U P E -1
C127 C -0.1486(12) 0.8367(5) -0.0869(2) 0.035(2) Uani 0.5 1 d . U P E -1
H176 H -0.1273 0.8901 -0.0933 0.041 Uiso 0.5 1 calc R U P E -1
C128 C -0.260(4) 0.8331(16) -0.0469(7) 0.074(9) Uani 0.5 1 d . U P E -1
H177 H -0.3724 0.8648 -0.0491 0.111 Uiso 0.5 1 calc R U P E -1
H178 H -0.2800 0.7811 -0.0393 0.111 Uiso 0.5 1 calc R U P E -1
H179 H -0.1939 0.8513 -0.0278 0.111 Uiso 0.5 1 calc R U P E -1
C129 C 0.0331(14) 0.7885(6) -0.0867(3) 0.043(2) Uani 0.5 1 d . U P E -1
H180 H 0.0930 0.7934 -0.1119 0.064 Uiso 0.5 1 calc R U P E -1
H181 H 0.1038 0.8060 -0.0684 0.064 Uiso 0.5 1 calc R U P E -1
H182 H 0.0177 0.7358 -0.0798 0.064 Uiso 0.5 1 calc R U P E -1
C130 C -0.2008(13) 0.3282(6) -0.0707(3) 0.024(2) Uani 0.5 1 d . U P E -1
C131 C -0.1715(19) 0.2626(10) -0.0699(4) 0.026(3) Uani 0.5 1 d . U P E -1
Si8 Si -0.1491(9) 0.1549(6) -0.0659(3) 0.058(2) Uani 0.5 1 d D U P E -1
C132 C -0.2901(14) 0.1209(5) -0.0293(2) 0.031(2) Uiso 0.5 1 d . U P E -1
H183 H -0.4016 0.1552 -0.0329 0.037 Uiso 0.5 1 calc R U P E -1
C133 C -0.2358(11) 0.1405(4) 0.0116(2) 0.0168(18) Uiso 0.5 1 d . U P E -1
H184 H -0.1946 0.1901 0.0091 0.025 Uiso 0.5 1 calc R U P E -1
H185 H -0.3381 0.1408 0.0297 0.025 Uiso 0.5 1 calc R U P E -1
H186 H -0.1420 0.1025 0.0206 0.025 Uiso 0.5 1 calc R U P E -1
C134 C -0.352(3) 0.0452(13) -0.0243(7) 0.194(10) Uiso 0.5 1 d . U P E -1
H187 H -0.3855 0.0321 -0.0486 0.291 Uiso 0.5 1 calc R U P E -1
H188 H -0.2574 0.0078 -0.0151 0.291 Uiso 0.5 1 calc R U P E -1
H189 H -0.4535 0.0461 -0.0061 0.291 Uiso 0.5 1 calc R U P E -1
C135 C -0.283(2) 0.1555(6) -0.1056(3) 0.055(3) Uani 0.5 1 d . U P E -1
H190 H -0.3874 0.1342 -0.0928 0.066 Uiso 0.5 1 calc R U P E -1
C136 C -0.366(2) 0.2261(9) -0.1233(5) 0.120(6) Uiso 0.5 1 d . U P E -1
H191 H -0.4030 0.2611 -0.1040 0.144 Uiso 0.5 1 calc R U P E -1
H192 H -0.2815 0.2480 -0.1418 0.144 Uiso 0.5 1 calc R U P E -1
H193 H -0.4678 0.2168 -0.1361 0.144 Uiso 0.5 1 calc R U P E -1
C137 C -0.220(3) 0.0982(11) -0.1318(5) 0.135(7) Uiso 0.5 1 d . U P E -1
H194 H -0.1667 0.0527 -0.1177 0.162 Uiso 0.5 1 calc R U P E -1
H195 H -0.3197 0.0862 -0.1448 0.162 Uiso 0.5 1 calc R U P E -1
H196 H -0.1334 0.1174 -0.1505 0.162 Uiso 0.5 1 calc R U P E -1
C138 C 0.1274(16) 0.1225(7) -0.0851(4) 0.075(3) Uiso 0.5 1 d D U P E -1
H197 H 0.1273 0.0737 -0.0963 0.091 Uiso 0.5 1 calc R U P E -1
C139 C 0.195(2) 0.1728(10) -0.1162(5) 0.142(6) Uiso 0.5 1 d D U P E -1
H198 H 0.1098 0.1837 -0.1355 0.214 Uiso 0.5 1 calc R U P E -1
H199 H 0.2158 0.2198 -0.1064 0.214 Uiso 0.5 1 calc R U P E -1
H200 H 0.3061 0.1484 -0.1272 0.214 Uiso 0.5 1 calc R U P E -1
C140 C 0.248(3) 0.1069(13) -0.0577(6) 0.159(10) Uiso 0.5 1 d D U P E -1
H201 H 0.2027 0.0735 -0.0371 0.238 Uiso 0.5 1 calc R U P E -1
H202 H 0.3589 0.0825 -0.0687 0.238 Uiso 0.5 1 calc R U P E -1
H203 H 0.2686 0.1538 -0.0479 0.238 Uiso 0.5 1 calc R U P E -1


_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 N1 1.308(4) . ?
C1 C8 1.460(5) . ?
C1 C24 1.481(5) . ?
N1 C2 1.380(4) . ?
C2 C7 1.420(5) . ?
C2 C3 1.428(5) . ?
C3 C4 1.374(5) . ?
C3 C27 1.443(5) . ?
C4 C5 1.393(5) . ?
C4 H1 0.9500 . ?
C5 C6 1.372(5) . ?
C5 H2 0.9500 . ?
C6 C7 1.427(5) . ?
C6 C38 1.439(5) . ?
C7 N2 1.384(4) . ?
N2 C8 1.301(4) . ?
C8 C9 1.485(5) . ?
C9 C10 1.389(5) . ?
C9 C25 1.400(5) . ?
C10 C11 1.430(5) . ?
C10 H3 0.9500 . ?
C11 C12 1.387(5) . ?
C11 H4 0.9500 . ?
C12 C26 1.398(5) . ?
C12 C13 1.478(5) . ?
C13 N3 1.305(5) . ?
C13 C20 1.462(5) . ?
N3 C14 1.387(4) . ?
C14 C19 1.408(5) . ?
C14 C15 1.428(5) . ?
C15 C16 1.377(5) . ?
C15 C49 1.434(6) . ?
C16 C17 1.389(6) . ?
C16 H5 0.9500 . ?
C17 C18 1.384(5) . ?
C17 H6 0.9500 . ?
C18 C19 1.422(5) . ?
C18 C60 1.432(6) . ?
C19 N4 1.378(5) . ?
N4 C20 1.307(4) . ?
C20 C21 1.485(5) . ?
C21 C22 1.387(5) . ?
C21 C26 1.405(5) . ?
C22 C23 1.433(5) . ?
C22 H7 0.9500 . ?
C23 C24 1.383(5) . ?
C23 H8 0.9500 . ?
C24 C25 1.402(5) . ?
C25 C26 1.361(5) . ?
C27 C28 1.212(5) . ?
C28 Si1 1.830(4) . ?
Si1 C35 1.882(4) . ?
Si1 C32 1.884(4) . ?
Si1 C29 1.886(4) . ?
C29 C31 1.532(5) . ?
C29 C30 1.539(5) . ?
C29 H9 1.0000 . ?
C30 H10 0.9800 . ?
C30 H11 0.9800 . ?
C30 H12 0.9800 . ?
C31 H13 0.9800 . ?
C31 H14 0.9800 . ?
C31 H15 0.9800 . ?
C32 C33 1.538(5) . ?
C32 C34 1.535(5) . ?
C32 H16 1.0000 . ?
C33 H17 0.9800 . ?
C33 H18 0.9800 . ?
C33 H19 0.9800 . ?
C34 H20 0.9800 . ?
C34 H21 0.9800 . ?
C34 H22 0.9800 . ?
C35 C37 1.531(5) . ?
C35 C36 1.539(5) . ?
C35 H23 1.0000 . ?
C36 H24 0.9800 . ?
C36 H25 0.9800 . ?
C36 H26 0.9800 . ?
C37 H27 0.9800 . ?
C37 H28 0.9800 . ?
C37 H29 0.9800 . ?
C38 C39 1.202(5) . ?
C39 Si2 1.842(4) . ?
Si2 C46 1.879(4) . ?
Si2 C40 1.890(4) . ?
Si2 C43 1.893(4) . ?
C40 C41 1.529(5) . ?
C40 C42 1.531(5) . ?
C40 H30 1.0000 . ?
C41 H31 0.9800 . ?
C41 H32 0.9800 . ?
C41 H33 0.9800 . ?
C42 H34 0.9800 . ?
C42 H35 0.9800 . ?
C42 H36 0.9800 . ?
C43 C45 1.525(5) . ?
C43 C44 1.529(5) . ?
C43 H37 1.0000 . ?
C44 H38 0.9800 . ?
C44 H39 0.9800 . ?
C44 H40 0.9800 . ?
C45 H41 0.9800 . ?
C45 H42 0.9800 . ?
C45 H43 0.9800 . ?
C46 C48 1.532(5) . ?
C46 C47 1.534(5) . ?
C46 H44 1.0000 . ?
C47 H45 0.9800 . ?
C47 H46 0.9800 . ?
C47 H47 0.9800 . ?
C48 H48 0.9800 . ?
C48 H49 0.9800 . ?
C48 H50 0.9800 . ?
C49 C50 1.202(6) . ?
C50 Si3 1.845(5) . ?
Si3 C54 1.870(4) . ?
Si3 C57 1.882(4) . ?
Si3 C51 1.881(4) . ?
C51 C52 1.532(6) . ?
C51 C53 1.537(7) . ?
C51 H51 1.0000 . ?
C52 H52 0.9800 . ?
C52 H53 0.9800 . ?
C52 H54 0.9800 . ?
C53 H55 0.9800 . ?
C53 H56 0.9800 . ?
C53 H57 0.9800 . ?
C54 C141 1.414(9) . ?
C54 C55 1.480(9) . ?
C54 C56 1.516(5) . ?
C54 H58 1.0000 . ?
C54 H59 1.0000 . ?
C55 H60 0.9800 . ?
C55 H61 0.9800 . ?
C55 H62 0.9800 . ?
C141 H63 0.9800 . ?
C141 H64 0.9800 . ?
C141 H65 0.9800 . ?
C56 H66 0.9800 . ?
C56 H67 0.9800 . ?
C56 H68 0.9800 . ?
C57 C58 1.519(6) . ?
C57 C59 1.534(6) . ?
C57 H69 1.0000 . ?
C58 H70 0.9800 . ?
C58 H71 0.9800 . ?
C58 H72 0.9800 . ?
C59 H73 0.9800 . ?
C59 H74 0.9800 . ?
C59 H75 0.9800 . ?
C60 C61 1.211(5) . ?
C61 Si4 1.840(4) . ?
Si4 C68 1.875(5) . ?
Si4 C65 1.887(4) . ?
Si4 C62 1.892(4) . ?
C62 C64 1.486(10) . ?
C62 C142 1.492(10) . ?
C62 C63 1.532(6) . ?
C62 H76 1.0000 . ?
C62 H77 1.0000 . ?
C63 H78 0.9800 . ?
C63 H79 0.9800 . ?
C63 H80 0.9800 . ?
C64 H81 0.9800 . ?
C64 H82 0.9800 . ?
C64 H83 0.9800 . ?
C142 H84 0.9800 . ?
C142 H85 0.9800 . ?
C142 H86 0.9800 . ?
C65 C143 1.509(10) . ?
C65 C67 1.530(6) . ?
C65 C66 1.618(11) . ?
C65 H87 1.0000 . ?
C65 H88 1.0000 . ?
C66 H89 0.9800 . ?
C66 H90 0.9800 . ?
C66 H91 0.9800 . ?
C143 H92 0.9800 . ?
C143 H93 0.9800 . ?
C143 H94 0.9800 . ?
C67 H95 0.9800 . ?
C67 H96 0.9800 . ?
C67 H97 0.9800 . ?
C68 C70 1.404(12) . ?
C68 C144 1.574(12) . ?
C68 C69 1.575(10) . ?
C68 C145 1.629(12) . ?
C68 H98 1.0000 . ?
C68 H99 1.0000 . ?
C69 H100 0.9800 . ?
C69 H101 0.9800 . ?
C69 H102 0.9800 . ?
C70 H103 0.9800 . ?
C70 H104 0.9800 . ?
C70 H105 0.9800 . ?
C144 H106 0.9800 . ?
C144 H107 0.9800 . ?
C144 H108 0.9800 . ?
C145 H109 0.9800 . ?
C145 H110 0.9800 . ?
C145 H111 0.9800 . ?
C71 N5 1.304(16) . ?
C71 C78 1.474(16) . ?
C71 C94 1.481(14) . ?
N5 C72 1.369(17) . ?
C72 C73 1.429(14) . ?
C72 C77 1.448(17) . ?
C73 C74 1.340(15) . ?
C73 C97 1.419(14) . ?
C74 C75 1.414(16) . ?
C74 H112 0.9500 . ?
C75 C76 1.375(14) . ?
C75 H113 0.9500 . ?
C76 C77 1.44(2) . ?
C76 C108 1.434(15) . ?
C77 N6 1.374(17) . ?
N6 C78 1.310(15) . ?
C78 C79 1.489(14) . ?
C79 C80 1.353(17) . ?
C79 C95 1.416(19) . ?
C80 C81 1.456(13) . ?
C80 H114 0.9500 . ?
C81 C82 1.392(14) . ?
C81 H115 0.9500 . ?
C82 C96 1.403(13) . ?
C82 C83 1.47(2) . ?
C83 N7 1.298(19) . ?
C83 C90 1.466(17) . ?
N7 C84 1.382(14) . ?
C84 C89 1.428(15) . ?
C84 C85 1.435(14) . ?
C85 C86 1.381(14) . ?
C85 C119 1.411(13) . ?
C86 C87 1.385(12) . ?
C86 H116 0.9500 . ?
C87 C88 1.398(15) . ?
C87 H117 0.9500 . ?
C88 C89 1.421(17) . ?
C88 C130 1.442(16) . ?
C89 N8 1.374(14) . ?
N8 C90 1.298(17) . ?
C90 C91 1.503(15) . ?
C91 C92 1.376(16) . ?
C91 C96 1.387(16) . ?
C92 C93 1.437(13) . ?
C92 H118 0.9500 . ?
C93 C94 1.406(15) . ?
C93 H119 0.9500 . ?
C94 C95 1.38(2) . ?
C95 C96 1.36(2) . ?
C97 C98 1.214(11) . ?
C98 Si5 1.841(9) . ?
Si5 C105 1.851(10) . ?
Si5 C99 1.874(9) . ?
Si5 C102 1.900(9) . ?
C99 C101 1.522(12) . ?
C99 C100 1.548(12) . ?
C99 H120 1.0000 . ?
C100 H121 0.9800 . ?
C100 H122 0.9800 . ?
C100 H123 0.9800 . ?
C101 H124 0.9800 . ?
C101 H125 0.9800 . ?
C101 H126 0.9800 . ?
C102 C103 1.532(12) . ?
C102 C104 1.57(2) . ?
C102 H127 1.0000 . ?
C103 H128 0.9800 . ?
C103 H129 0.9800 . ?
C103 H130 0.9800 . ?
C104 H131 0.9800 . ?
C104 H132 0.9800 . ?
C104 H133 0.9800 . ?
C105 C107 1.536(13) . ?
C105 C106 1.536(14) . ?
C105 H134 1.0000 . ?
C106 H135 0.9800 . ?
C106 H136 0.9800 . ?
C106 H137 0.9800 . ?
C107 H138 0.9800 . ?
C107 H139 0.9800 . ?
C107 H140 0.9800 . ?
C108 C109 1.206(19) . ?
C109 Si6 1.69(2) . ?
Si6 C113 1.856(13) . ?
Si6 C110 1.832(11) . ?
Si6 C116 1.860(15) . ?
C110 C112 1.557(14) . ?
C110 C111 1.565(12) . ?
C110 H141 1.0000 . ?
C111 H142 0.9800 . ?
C111 H143 0.9800 . ?
C111 H144 0.9800 . ?
C112 H145 0.9800 . ?
C112 H146 0.9800 . ?
C112 H147 0.9800 . ?
C113 C115 1.477(13) . ?
C113 C114 1.568(15) . ?
C113 H148 1.0000 . ?
C114 H149 0.9800 . ?
C114 H150 0.9800 . ?
C114 H151 0.9800 . ?
C115 H152 0.9800 . ?
C115 H153 0.9800 . ?
C115 H154 0.9800 . ?
C116 C117 1.398(18) . ?
C116 C118 1.456(14) . ?
C116 H155 1.0000 . ?
C117 H156 0.9800 . ?
C117 H157 0.9800 . ?
C117 H158 0.9800 . ?
C118 H159 0.9800 . ?
C118 H160 0.9800 . ?
C118 H161 0.9800 . ?
C119 C120 1.213(11) . ?
C120 Si7 1.828(9) . ?
Si7 C127 1.864(9) . ?
Si7 C121 1.894(10) . ?
Si7 C124 1.892(11) . ?
C121 C122 1.512(14) . ?
C121 C123 1.522(12) . ?
C121 H162 1.0000 . ?
C122 H163 0.9800 . ?
C122 H164 0.9800 . ?
C122 H165 0.9800 . ?
C123 H166 0.9800 . ?
C123 H167 0.9800 . ?
C123 H168 0.9800 . ?
C124 C125 1.505(14) . ?
C124 C126 1.516(17) . ?
C124 H169 1.0000 . ?
C125 H170 0.9800 . ?
C125 H171 0.9800 . ?
C125 H172 0.9800 . ?
C126 H173 0.9800 . ?
C126 H174 0.9800 . ?
C126 H175 0.9800 . ?
C127 C129 1.548(13) . ?
C127 C128 1.61(3) . ?
C127 H176 1.0000 . ?
C128 H177 0.9800 . ?
C128 H178 0.9800 . ?
C128 H179 0.9800 . ?
C129 H180 0.9800 . ?
C129 H181 0.9800 . ?
C129 H182 0.9800 . ?
C130 C131 1.172(19) . ?
C131 Si8 1.92(2) . ?
Si8 C132 1.750(13) . ?
Si8 C135 1.812(17) . ?
Si8 C138 2.210(13) . ?
C132 C134 1.49(2) . ?
C132 C133 1.631(11) . ?
C132 H183 1.0000 . ?
C133 H184 0.9800 . ?
C133 H185 0.9800 . ?
C133 H186 0.9800 . ?
C134 H187 0.9800 . ?
C134 H188 0.9800 . ?
C134 H189 0.9800 . ?
C135 C136 1.459(18) . ?
C135 C137 1.47(2) . ?
C135 H190 1.0000 . ?
C136 H191 0.9800 . ?
C136 H192 0.9800 . ?
C136 H193 0.9800 . ?
C137 H194 0.9800 . ?
C137 H195 0.9800 . ?
C137 H196 0.9800 . ?
C138 C140 1.385(18) . ?
C138 C139 1.474(16) . ?
C138 H197 1.0000 . ?
C139 C140 2.34(2) . ?
C139 H198 0.9800 . ?
C139 H199 0.9800 . ?
C139 H200 0.9800 . ?
C140 H201 0.9800 . ?
C140 H202 0.9800 . ?
C140 H203 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
N1 C1 C8 123.4(3) . . ?
N1 C1 C24 128.2(3) . . ?
C8 C1 C24 108.5(3) . . ?
C1 N1 C2 114.2(3) . . ?
N1 C2 C7 122.6(3) . . ?
N1 C2 C3 118.0(3) . . ?
C7 C2 C3 119.4(3) . . ?
C4 C3 C2 118.9(3) . . ?
C4 C3 C27 121.9(3) . . ?
C2 C3 C27 119.2(3) . . ?
C3 C4 C5 121.7(3) . . ?
C3 C4 H1 119.2 . . ?
C5 C4 H1 119.2 . . ?
C6 C5 C4 121.2(3) . . ?
C6 C5 H2 119.4 . . ?
C4 C5 H2 119.4 . . ?
C5 C6 C7 119.2(3) . . ?
C5 C6 C38 121.8(3) . . ?
C7 C6 C38 119.0(3) . . ?
N2 C7 C2 121.9(3) . . ?
N2 C7 C6 118.7(3) . . ?
C2 C7 C6 119.5(3) . . ?
C8 N2 C7 114.7(3) . . ?
N2 C8 C1 123.2(3) . . ?
N2 C8 C9 129.1(3) . . ?
C1 C8 C9 107.7(3) . . ?
C10 C9 C25 117.8(3) . . ?
C10 C9 C8 138.2(3) . . ?
C25 C9 C8 103.9(3) . . ?
C9 C10 C11 120.2(3) . . ?
C9 C10 H3 119.9 . . ?
C11 C10 H3 119.9 . . ?
C12 C11 C10 120.7(3) . . ?
C12 C11 H4 119.6 . . ?
C10 C11 H4 119.6 . . ?
C11 C12 C26 117.4(3) . . ?
C11 C12 C13 138.9(3) . . ?
C26 C12 C13 103.7(3) . . ?
N3 C13 C20 123.0(3) . . ?
N3 C13 C12 128.7(3) . . ?
C20 C13 C12 108.3(3) . . ?
C13 N3 C14 114.4(3) . . ?
N3 C14 C19 122.3(3) . . ?
N3 C14 C15 117.8(3) . . ?
C19 C14 C15 119.9(3) . . ?
C16 C15 C14 118.5(4) . . ?
C16 C15 C49 118.9(4) . . ?
C14 C15 C49 122.6(3) . . ?
C15 C16 C17 121.7(4) . . ?
C15 C16 H5 119.2 . . ?
C17 C16 H5 119.2 . . ?
C16 C17 C18 121.3(4) . . ?
C16 C17 H6 119.3 . . ?
C18 C17 H6 119.3 . . ?
C17 C18 C19 118.6(4) . . ?
C17 C18 C60 118.5(3) . . ?
C19 C18 C60 122.9(3) . . ?
N4 C19 C14 122.5(3) . . ?
N4 C19 C18 117.5(3) . . ?
C14 C19 C18 120.0(3) . . ?
C20 N4 C19 114.3(3) . . ?
N4 C20 C13 123.4(3) . . ?
N4 C20 C21 128.7(3) . . ?
C13 C20 C21 107.9(3) . . ?
C22 C21 C26 117.9(3) . . ?
C22 C21 C20 138.7(3) . . ?
C26 C21 C20 103.4(3) . . ?
C21 C22 C23 120.6(3) . . ?
C21 C22 H7 119.7 . . ?
C23 C22 H7 119.7 . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H8 119.9 . . ?
C22 C23 H8 119.9 . . ?
C23 C24 C25 117.9(3) . . ?
C23 C24 C1 138.6(3) . . ?
C25 C24 C1 103.6(3) . . ?
C26 C25 C9 121.5(3) . . ?
C26 C25 C24 122.1(3) . . ?
C9 C25 C24 116.3(3) . . ?
C25 C26 C12 122.2(3) . . ?
C25 C26 C21 121.3(3) . . ?
C12 C26 C21 116.5(3) . . ?
C28 C27 C3 178.1(4) . . ?
C27 C28 Si1 174.8(3) . . ?
C28 Si1 C35 107.92(18) . . ?
C28 Si1 C32 107.07(17) . . ?
C35 Si1 C32 109.21(17) . . ?
C28 Si1 C29 107.01(16) . . ?
C35 Si1 C29 112.87(17) . . ?
C32 Si1 C29 112.47(17) . . ?
C31 C29 C30 110.5(3) . . ?
C31 C29 Si1 112.6(3) . . ?
C30 C29 Si1 113.9(3) . . ?
C31 C29 H9 106.4 . . ?
C30 C29 H9 106.4 . . ?
Si1 C29 H9 106.4 . . ?
C29 C30 H10 109.5 . . ?
C29 C30 H11 109.5 . . ?
H10 C30 H11 109.5 . . ?
C29 C30 H12 109.5 . . ?
H10 C30 H12 109.5 . . ?
H11 C30 H12 109.5 . . ?
C29 C31 H13 109.5 . . ?
C29 C31 H14 109.5 . . ?
H13 C31 H14 109.5 . . ?
C29 C31 H15 109.5 . . ?
H13 C31 H15 109.5 . . ?
H14 C31 H15 109.5 . . ?
C33 C32 C34 110.9(3) . . ?
C33 C32 Si1 112.0(2) . . ?
C34 C32 Si1 113.6(3) . . ?
C33 C32 H16 106.6 . . ?
C34 C32 H16 106.6 . . ?
Si1 C32 H16 106.6 . . ?
C32 C33 H17 109.5 . . ?
C32 C33 H18 109.5 . . ?
H17 C33 H18 109.5 . . ?
C32 C33 H19 109.5 . . ?
H17 C33 H19 109.5 . . ?
H18 C33 H19 109.5 . . ?
C32 C34 H20 109.5 . . ?
C32 C34 H21 109.5 . . ?
H20 C34 H21 109.5 . . ?
C32 C34 H22 109.5 . . ?
H20 C34 H22 109.5 . . ?
H21 C34 H22 109.5 . . ?
C37 C35 C36 110.1(3) . . ?
C37 C35 Si1 113.3(3) . . ?
C36 C35 Si1 110.7(3) . . ?
C37 C35 H23 107.5 . . ?
C36 C35 H23 107.5 . . ?
Si1 C35 H23 107.5 . . ?
C35 C36 H24 109.5 . . ?
C35 C36 H25 109.5 . . ?
H24 C36 H25 109.5 . . ?
C35 C36 H26 109.5 . . ?
H24 C36 H26 109.5 . . ?
H25 C36 H26 109.5 . . ?
C35 C37 H27 109.5 . . ?
C35 C37 H28 109.5 . . ?
H27 C37 H28 109.5 . . ?
C35 C37 H29 109.5 . . ?
H27 C37 H29 109.5 . . ?
H28 C37 H29 109.5 . . ?
C39 C38 C6 178.4(4) . . ?
C38 C39 Si2 173.7(3) . . ?
C39 Si2 C46 107.61(17) . . ?
C39 Si2 C40 106.73(17) . . ?
C46 Si2 C40 112.09(18) . . ?
C39 Si2 C43 107.80(18) . . ?
C46 Si2 C43 109.03(17) . . ?
C40 Si2 C43 113.32(17) . . ?
C41 C40 C42 110.1(3) . . ?
C41 C40 Si2 112.3(3) . . ?
C42 C40 Si2 114.2(3) . . ?
C41 C40 H30 106.6 . . ?
C42 C40 H30 106.6 . . ?
Si2 C40 H30 106.6 . . ?
C40 C41 H31 109.5 . . ?
C40 C41 H32 109.5 . . ?
H31 C41 H32 109.5 . . ?
C40 C41 H33 109.5 . . ?
H31 C41 H33 109.5 . . ?
H32 C41 H33 109.5 . . ?
C40 C42 H34 109.5 . . ?
C40 C42 H35 109.5 . . ?
H34 C42 H35 109.5 . . ?
C40 C42 H36 109.5 . . ?
H34 C42 H36 109.5 . . ?
H35 C42 H36 109.5 . . ?
C45 C43 C44 110.7(3) . . ?
C45 C43 Si2 110.7(3) . . ?
C44 C43 Si2 112.9(3) . . ?
C45 C43 H37 107.4 . . ?
C44 C43 H37 107.4 . . ?
Si2 C43 H37 107.4 . . ?
C43 C44 H38 109.5 . . ?
C43 C44 H39 109.5 . . ?
H38 C44 H39 109.5 . . ?
C43 C44 H40 109.5 . . ?
H38 C44 H40 109.5 . . ?
H39 C44 H40 109.5 . . ?
C43 C45 H41 109.5 . . ?
C43 C45 H42 109.5 . . ?
H41 C45 H42 109.5 . . ?
C43 C45 H43 109.5 . . ?
H41 C45 H43 109.5 . . ?
H42 C45 H43 109.5 . . ?
C48 C46 C47 110.5(3) . . ?
C48 C46 Si2 113.2(2) . . ?
C47 C46 Si2 113.9(3) . . ?
C48 C46 H44 106.2 . . ?
C47 C46 H44 106.2 . . ?
Si2 C46 H44 106.2 . . ?
C46 C47 H45 109.5 . . ?
C46 C47 H46 109.5 . . ?
H45 C47 H46 109.5 . . ?
C46 C47 H47 109.5 . . ?
H45 C47 H47 109.5 . . ?
H46 C47 H47 109.5 . . ?
C46 C48 H48 109.5 . . ?
C46 C48 H49 109.5 . . ?
H48 C48 H49 109.5 . . ?
C46 C48 H50 109.5 . . ?
H48 C48 H50 109.5 . . ?
H49 C48 H50 109.5 . . ?
C50 C49 C15 170.7(4) . . ?
C49 C50 Si3 170.3(4) . . ?
C50 Si3 C54 107.7(2) . . ?
C50 Si3 C57 109.69(19) . . ?
C54 Si3 C57 109.6(2) . . ?
C50 Si3 C51 105.0(2) . . ?
C54 Si3 C51 111.72(19) . . ?
C57 Si3 C51 113.0(2) . . ?
C52 C51 C53 109.8(4) . . ?
C52 C51 Si3 113.0(3) . . ?
C53 C51 Si3 112.7(3) . . ?
C52 C51 H51 107.0 . . ?
C53 C51 H51 107.0 . . ?
Si3 C51 H51 107.0 . . ?
C51 C52 H52 109.5 . . ?
C51 C52 H53 109.5 . . ?
H52 C52 H53 109.5 . . ?
C51 C52 H54 109.5 . . ?
H52 C52 H54 109.5 . . ?
H53 C52 H54 109.5 . . ?
C51 C53 H55 109.5 . . ?
C51 C53 H56 109.5 . . ?
H55 C53 H56 109.5 . . ?
C51 C53 H57 109.5 . . ?
H55 C53 H57 109.5 . . ?
H56 C53 H57 109.5 . . ?
C141 C54 C56 116.7(5) . . ?
C55 C54 C56 112.7(5) . . ?
C141 C54 Si3 118.6(4) . . ?
C55 C54 Si3 125.6(5) . . ?
C56 C54 Si3 113.2(3) . . ?
C55 C54 H58 99.7 . . ?
C56 C54 H58 99.7 . . ?
Si3 C54 H58 99.7 . . ?
C141 C54 H59 101.4 . . ?
C56 C54 H59 101.4 . . ?
Si3 C54 H59 101.4 . . ?
C54 C55 H60 109.5 . . ?
C54 C55 H61 109.5 . . ?
H60 C55 H61 109.5 . . ?
C54 C55 H62 109.5 . . ?
H60 C55 H62 109.5 . . ?
H61 C55 H62 109.5 . . ?
C54 C141 H63 109.5 . . ?
C54 C141 H64 109.5 . . ?
H63 C141 H64 109.5 . . ?
C54 C141 H65 109.5 . . ?
H63 C141 H65 109.5 . . ?
H64 C141 H65 109.5 . . ?
C54 C56 H66 109.5 . . ?
C54 C56 H67 109.5 . . ?
H66 C56 H67 109.5 . . ?
C54 C56 H68 109.5 . . ?
H66 C56 H68 109.5 . . ?
H67 C56 H68 109.5 . . ?
C58 C57 C59 110.5(4) . . ?
C58 C57 Si3 114.4(3) . . ?
C59 C57 Si3 112.6(3) . . ?
C58 C57 H69 106.2 . . ?
C59 C57 H69 106.2 . . ?
Si3 C57 H69 106.2 . . ?
C57 C58 H70 109.5 . . ?
C57 C58 H71 109.5 . . ?
H70 C58 H71 109.5 . . ?
C57 C58 H72 109.5 . . ?
H70 C58 H72 109.5 . . ?
H71 C58 H72 109.5 . . ?
C57 C59 H73 109.5 . . ?
C57 C59 H74 109.5 . . ?
H73 C59 H74 109.5 . . ?
C57 C59 H75 109.5 . . ?
H73 C59 H75 109.5 . . ?
H74 C59 H75 109.5 . . ?
C61 C60 C18 171.5(4) . . ?
C60 C61 Si4 169.1(3) . . ?
C61 Si4 C68 109.76(19) . . ?
C61 Si4 C65 107.0(2) . . ?
C68 Si4 C65 111.2(2) . . ?
C61 Si4 C62 104.38(18) . . ?
C68 Si4 C62 114.5(2) . . ?
C65 Si4 C62 109.49(19) . . ?
C64 C62 C63 104.9(5) . . ?
C142 C62 C63 105.9(6) . . ?
C64 C62 Si4 110.9(4) . . ?
C142 C62 Si4 113.9(5) . . ?
C63 C62 Si4 114.1(3) . . ?
C64 C62 H76 108.9 . . ?
C63 C62 H76 108.9 . . ?
Si4 C62 H76 108.9 . . ?
C142 C62 H77 107.5 . . ?
C63 C62 H77 107.5 . . ?
Si4 C62 H77 107.5 . . ?
C62 C63 H78 109.5 . . ?
C62 C63 H79 109.5 . . ?
H78 C63 H79 109.5 . . ?
C62 C63 H80 109.5 . . ?
H78 C63 H80 109.5 . . ?
H79 C63 H80 109.5 . . ?
C62 C64 H81 109.5 . . ?
C62 C64 H82 109.5 . . ?
H81 C64 H82 109.5 . . ?
C62 C64 H83 109.5 . . ?
H81 C64 H83 109.5 . . ?
H82 C64 H83 109.5 . . ?
C62 C142 H84 109.5 . . ?
C62 C142 H85 109.5 . . ?
H84 C142 H85 109.5 . . ?
C62 C142 H86 109.5 . . ?
H84 C142 H86 109.5 . . ?
H85 C142 H86 109.5 . . ?
C143 C65 C67 114.4(5) . . ?
C67 C65 C66 114.5(5) . . ?
C143 C65 Si4 112.3(5) . . ?
C67 C65 Si4 111.7(3) . . ?
C66 C65 Si4 112.5(4) . . ?
C67 C65 H87 105.8 . . ?
C66 C65 H87 105.8 . . ?
Si4 C65 H87 105.8 . . ?
C143 C65 H88 105.9 . . ?
C67 C65 H88 105.9 . . ?
Si4 C65 H88 105.9 . . ?
C65 C66 H89 109.5 . . ?
C65 C66 H90 109.5 . . ?
H89 C66 H90 109.5 . . ?
C65 C66 H91 109.5 . . ?
H89 C66 H91 109.5 . . ?
H90 C66 H91 109.5 . . ?
C65 C143 H92 109.5 . . ?
C65 C143 H93 109.5 . . ?
H92 C143 H93 109.5 . . ?
C65 C143 H94 109.5 . . ?
H92 C143 H94 109.5 . . ?
H93 C143 H94 109.5 . . ?
C65 C67 H95 109.5 . . ?
C65 C67 H96 109.5 . . ?
H95 C67 H96 109.5 . . ?
C65 C67 H97 109.5 . . ?
H95 C67 H97 109.5 . . ?
H96 C67 H97 109.5 . . ?
C70 C68 C69 116.2(7) . . ?
C144 C68 C145 102.2(8) . . ?
C70 C68 Si4 117.0(6) . . ?
C144 C68 Si4 114.2(5) . . ?
C69 C68 Si4 108.2(5) . . ?
C145 C68 Si4 111.3(4) . . ?
C70 C68 H98 104.7 . . ?
C69 C68 H98 104.7 . . ?
Si4 C68 H98 104.7 . . ?
C144 C68 H99 109.6 . . ?
C145 C68 H99 109.6 . . ?
Si4 C68 H99 109.6 . . ?
C68 C69 H100 109.5 . . ?
C68 C69 H101 109.5 . . ?
H100 C69 H101 109.5 . . ?
C68 C69 H102 109.5 . . ?
H100 C69 H102 109.5 . . ?
H101 C69 H102 109.5 . . ?
C68 C70 H103 109.5 . . ?
C68 C70 H104 109.5 . . ?
H103 C70 H104 109.5 . . ?
C68 C70 H105 109.5 . . ?
H103 C70 H105 109.5 . . ?
H104 C70 H105 109.5 . . ?
C68 C144 H106 109.5 . . ?
C68 C144 H107 109.5 . . ?
H106 C144 H107 109.5 . . ?
C68 C144 H108 109.5 . . ?
H106 C144 H108 109.5 . . ?
H107 C144 H108 109.5 . . ?
C68 C145 H109 109.5 . . ?
C68 C145 H110 109.5 . . ?
H109 C145 H110 109.5 . . ?
C68 C145 H111 109.5 . . ?
H109 C145 H111 109.5 . . ?
H110 C145 H111 109.5 . . ?
N5 C71 C78 122.9(12) . . ?
N5 C71 C94 129.6(10) . . ?
C78 C71 C94 107.5(9) . . ?
C71 N5 C72 116.0(11) . . ?
N5 C72 C73 119.4(10) . . ?
N5 C72 C77 120.6(11) . . ?
C73 C72 C77 119.9(11) . . ?
C74 C73 C97 122.2(12) . . ?
C74 C73 C72 119.6(11) . . ?
C97 C73 C72 118.2(10) . . ?
C73 C74 C75 122.0(10) . . ?
C73 C74 H112 119.0 . . ?
C75 C74 H112 119.0 . . ?
C76 C75 C74 121.1(10) . . ?
C76 C75 H113 119.4 . . ?
C74 C75 H113 119.4 . . ?
C75 C76 C77 119.4(12) . . ?
C75 C76 C108 119.4(11) . . ?
C77 C76 C108 121.1(10) . . ?
N6 C77 C76 119.1(12) . . ?
N6 C77 C72 122.9(13) . . ?
C76 C77 C72 117.9(13) . . ?
C78 N6 C77 114.5(11) . . ?
N6 C78 C71 122.8(12) . . ?
N6 C78 C79 128.7(12) . . ?
C71 C78 C79 108.5(11) . . ?
C80 C79 C95 120.0(12) . . ?
C80 C79 C78 137.6(12) . . ?
C95 C79 C78 102.3(12) . . ?
C79 C80 C81 119.9(11) . . ?
C79 C80 H114 120.1 . . ?
C81 C80 H114 120.1 . . ?
C82 C81 C80 120.1(9) . . ?
C82 C81 H115 119.9 . . ?
C80 C81 H115 119.9 . . ?
C81 C82 C96 117.2(11) . . ?
C81 C82 C83 137.9(10) . . ?
C96 C82 C83 104.8(11) . . ?
N7 C83 C82 130.2(12) . . ?
N7 C83 C90 122.8(13) . . ?
C82 C83 C90 107.0(13) . . ?
C83 N7 C84 115.9(11) . . ?
N7 C84 C89 120.4(12) . . ?
N7 C84 C85 118.3(11) . . ?
C89 C84 C85 121.3(10) . . ?
C86 C85 C119 122.1(9) . . ?
C86 C85 C84 117.4(9) . . ?
C119 C85 C84 120.3(10) . . ?
C87 C86 C85 122.4(10) . . ?
C87 C86 H116 118.8 . . ?
C85 C86 H116 118.8 . . ?
C86 C87 C88 121.2(9) . . ?
C86 C87 H117 119.4 . . ?
C88 C87 H117 119.4 . . ?
C87 C88 C89 119.3(10) . . ?
C87 C88 C130 119.8(11) . . ?
C89 C88 C130 120.6(12) . . ?
N8 C89 C88 118.6(10) . . ?
N8 C89 C84 122.9(11) . . ?
C88 C89 C84 118.4(10) . . ?
C90 N8 C89 114.9(11) . . ?
N8 C90 C83 123.0(12) . . ?
N8 C90 C91 128.4(11) . . ?
C83 C90 C91 108.6(12) . . ?
C92 C91 C96 119.7(14) . . ?
C92 C91 C90 137.4(11) . . ?
C96 C91 C90 102.8(11) . . ?
C91 C92 C93 120.1(11) . . ?
C91 C92 H118 120.0 . . ?
C93 C92 H118 120.0 . . ?
C94 C93 C92 119.2(10) . . ?
C94 C93 H119 120.4 . . ?
C92 C93 H119 120.4 . . ?
C95 C94 C93 117.9(10) . . ?
C95 C94 C71 104.2(9) . . ?
C93 C94 C71 137.9(11) . . ?
C96 C95 C94 123.0(12) . . ?
C96 C95 C79 119.6(15) . . ?
C94 C95 C79 117.5(11) . . ?
C95 C96 C91 120.1(13) . . ?
C95 C96 C82 123.1(12) . . ?
C91 C96 C82 116.7(11) . . ?
C98 C97 C73 174.8(9) . . ?
C97 C98 Si5 173.4(7) . . ?
C98 Si5 C105 109.1(4) . . ?
C98 Si5 C99 107.0(4) . . ?
C105 Si5 C99 111.1(4) . . ?
C98 Si5 C102 103.6(4) . . ?
C105 Si5 C102 110.1(4) . . ?
C99 Si5 C102 115.5(4) . . ?
C101 C99 C100 111.7(7) . . ?
C101 C99 Si5 113.3(6) . . ?
C100 C99 Si5 113.9(6) . . ?
C101 C99 H120 105.7 . . ?
C100 C99 H120 105.7 . . ?
Si5 C99 H120 105.7 . . ?
C99 C100 H121 109.5 . . ?
C99 C100 H122 109.5 . . ?
H121 C100 H122 109.5 . . ?
C99 C100 H123 109.5 . . ?
H121 C100 H123 109.5 . . ?
H122 C100 H123 109.5 . . ?
C99 C101 H124 109.5 . . ?
C99 C101 H125 109.5 . . ?
H124 C101 H125 109.5 . . ?
C99 C101 H126 109.5 . . ?
H124 C101 H126 109.5 . . ?
H125 C101 H126 109.5 . . ?
C103 C102 C104 114.9(10) . . ?
C103 C102 Si5 113.5(6) . . ?
C104 C102 Si5 108.7(9) . . ?
C103 C102 H127 106.4 . . ?
C104 C102 H127 106.4 . . ?
Si5 C102 H127 106.4 . . ?
C102 C103 H128 109.5 . . ?
C102 C103 H129 109.5 . . ?
H128 C103 H129 109.5 . . ?
C102 C103 H130 109.5 . . ?
H128 C103 H130 109.5 . . ?
H129 C103 H130 109.5 . . ?
C102 C104 H131 109.5 . . ?
C102 C104 H132 109.5 . . ?
H131 C104 H132 109.5 . . ?
C102 C104 H133 109.5 . . ?
H131 C104 H133 109.5 . . ?
H132 C104 H133 109.5 . . ?
C107 C105 C106 109.1(9) . . ?
C107 C105 Si5 113.4(7) . . ?
C106 C105 Si5 114.2(7) . . ?
C107 C105 H134 106.6 . . ?
C106 C105 H134 106.6 . . ?
Si5 C105 H134 106.6 . . ?
C105 C106 H135 109.5 . . ?
C105 C106 H136 109.5 . . ?
H135 C106 H136 109.5 . . ?
C105 C106 H137 109.5 . . ?
H135 C106 H137 109.5 . . ?
H136 C106 H137 109.5 . . ?
C105 C107 H138 109.5 . . ?
C105 C107 H139 109.5 . . ?
H138 C107 H139 109.5 . . ?
C105 C107 H140 109.5 . . ?
H138 C107 H140 109.5 . . ?
H139 C107 H140 109.5 . . ?
C109 C108 C76 168.8(12) . . ?
C108 C109 Si6 167.9(13) . . ?
C109 Si6 C113 124.3(7) . . ?
C109 Si6 C110 91.8(6) . . ?
C113 Si6 C110 114.5(6) . . ?
C109 Si6 C116 110.0(8) . . ?
C113 Si6 C116 114.3(6) . . ?
C110 Si6 C116 96.3(7) . . ?
C112 C110 C111 109.9(8) . . ?
C112 C110 Si6 113.2(8) . . ?
C111 C110 Si6 113.5(7) . . ?
C112 C110 H141 106.6 . . ?
C111 C110 H141 106.6 . . ?
Si6 C110 H141 106.6 . . ?
C110 C111 H142 109.5 . . ?
C110 C111 H143 109.5 . . ?
H142 C111 H143 109.5 . . ?
C110 C111 H144 109.5 . . ?
H142 C111 H144 109.5 . . ?
H143 C111 H144 109.5 . . ?
C110 C112 H145 109.5 . . ?
C110 C112 H146 109.5 . . ?
H145 C112 H146 109.5 . . ?
C110 C112 H147 109.5 . . ?
H145 C112 H147 109.5 . . ?
H146 C112 H147 109.5 . . ?
C115 C113 C114 107.9(9) . . ?
C115 C113 Si6 115.5(7) . . ?
C114 C113 Si6 112.0(8) . . ?
C115 C113 H148 107.0 . . ?
C114 C113 H148 107.0 . . ?
Si6 C113 H148 107.0 . . ?
C113 C114 H149 109.5 . . ?
C113 C114 H150 109.5 . . ?
H149 C114 H150 109.5 . . ?
C113 C114 H151 109.5 . . ?
H149 C114 H151 109.5 . . ?
H150 C114 H151 109.5 . . ?
C113 C115 H152 109.5 . . ?
C113 C115 H153 109.5 . . ?
H152 C115 H153 109.5 . . ?
C113 C115 H154 109.5 . . ?
H152 C115 H154 109.5 . . ?
H153 C115 H154 109.5 . . ?
C117 C116 C118 114.4(11) . . ?
C117 C116 Si6 121.3(11) . . ?
C118 C116 Si6 120.6(9) . . ?
C117 C116 H155 96.5 . . ?
C118 C116 H155 96.5 . . ?
Si6 C116 H155 96.5 . . ?
C116 C117 H156 109.5 . . ?
C116 C117 H157 109.5 . . ?
H156 C117 H157 109.5 . . ?
C116 C117 H158 109.5 . . ?
H156 C117 H158 109.5 . . ?
H157 C117 H158 109.5 . . ?
C116 C118 H159 109.5 . . ?
C116 C118 H160 109.5 . . ?
H159 C118 H160 109.5 . . ?
C116 C118 H161 109.5 . . ?
H159 C118 H161 109.5 . . ?
H160 C118 H161 109.5 . . ?
C120 C119 C85 176.4(8) . . ?
C119 C120 Si7 169.3(8) . . ?
C120 Si7 C127 104.2(4) . . ?
C120 Si7 C121 108.1(5) . . ?
C127 Si7 C121 111.4(4) . . ?
C120 Si7 C124 107.9(4) . . ?
C127 Si7 C124 110.7(5) . . ?
C121 Si7 C124 114.1(5) . . ?
C122 C121 C123 110.0(8) . . ?
C122 C121 Si7 113.5(8) . . ?
C123 C121 Si7 113.1(7) . . ?
C122 C121 H162 106.6 . . ?
C123 C121 H162 106.6 . . ?
Si7 C121 H162 106.6 . . ?
C121 C122 H163 109.5 . . ?
C121 C122 H164 109.5 . . ?
H163 C122 H164 109.5 . . ?
C121 C122 H165 109.5 . . ?
H163 C122 H165 109.5 . . ?
H164 C122 H165 109.5 . . ?
C121 C123 H166 109.5 . . ?
C121 C123 H167 109.5 . . ?
H166 C123 H167 109.5 . . ?
C121 C123 H168 109.5 . . ?
H166 C123 H168 109.5 . . ?
H167 C123 H168 109.5 . . ?
C125 C124 C126 111.3(10) . . ?
C125 C124 Si7 113.0(7) . . ?
C126 C124 Si7 114.7(9) . . ?
C125 C124 H169 105.7 . . ?
C126 C124 H169 105.7 . . ?
Si7 C124 H169 105.7 . . ?
C124 C125 H170 109.5 . . ?
C124 C125 H171 109.5 . . ?
H170 C125 H171 109.5 . . ?
C124 C125 H172 109.5 . . ?
H170 C125 H172 109.5 . . ?
H171 C125 H172 109.5 . . ?
C124 C126 H173 109.5 . . ?
C124 C126 H174 109.5 . . ?
H173 C126 H174 109.5 . . ?
C124 C126 H175 109.5 . . ?
H173 C126 H175 109.5 . . ?
H174 C126 H175 109.5 . . ?
C129 C127 C128 114.0(12) . . ?
C129 C127 Si7 111.8(6) . . ?
C128 C127 Si7 109.3(12) . . ?
C129 C127 H176 107.1 . . ?
C128 C127 H176 107.1 . . ?
Si7 C127 H176 107.1 . . ?
C127 C128 H177 109.5 . . ?
C127 C128 H178 109.5 . . ?
H177 C128 H178 109.5 . . ?
C127 C128 H179 109.5 . . ?
H177 C128 H179 109.5 . . ?
H178 C128 H179 109.5 . . ?
C127 C129 H180 109.5 . . ?
C127 C129 H181 109.5 . . ?
H180 C129 H181 109.5 . . ?
C127 C129 H182 109.5 . . ?
H180 C129 H182 109.5 . . ?
H181 C129 H182 109.5 . . ?
C131 C130 C88 175.4(11) . . ?
C130 C131 Si8 173.6(13) . . ?
C132 Si8 C135 100.2(6) . . ?
C132 Si8 C131 111.1(7) . . ?
C135 Si8 C131 91.4(6) . . ?
C132 Si8 C138 134.4(7) . . ?
C135 Si8 C138 108.0(7) . . ?
C131 Si8 C138 103.4(7) . . ?
C134 C132 C133 107.9(11) . . ?
C134 C132 Si8 127.1(12) . . ?
C133 C132 Si8 111.1(7) . . ?
C134 C132 H183 102.5 . . ?
C133 C132 H183 102.5 . . ?
Si8 C132 H183 102.5 . . ?
C132 C133 H184 109.5 . . ?
C132 C133 H185 109.5 . . ?
H184 C133 H185 109.5 . . ?
C132 C133 H186 109.5 . . ?
H184 C133 H186 109.5 . . ?
H185 C133 H186 109.5 . . ?
C132 C134 H187 109.5 . . ?
C132 C134 H188 109.5 . . ?
H187 C134 H188 109.5 . . ?
C132 C134 H189 109.5 . . ?
H187 C134 H189 109.5 . . ?
H188 C134 H189 109.5 . . ?
C136 C135 C137 114.6(14) . . ?
C136 C135 Si8 120.6(10) . . ?
C137 C135 Si8 114.9(13) . . ?
C136 C135 H190 100.6 . . ?
C137 C135 H190 100.6 . . ?
Si8 C135 H190 100.6 . . ?
C135 C136 H191 109.5 . . ?
C135 C136 H192 109.5 . . ?
H191 C136 H192 109.5 . . ?
C135 C136 H193 109.5 . . ?
H191 C136 H193 109.5 . . ?
H192 C136 H193 109.5 . . ?
C135 C137 H194 109.5 . . ?
C135 C137 H195 109.5 . . ?
H194 C137 H195 109.5 . . ?
C135 C137 H196 109.5 . . ?
H194 C137 H196 109.5 . . ?
H195 C137 H196 109.5 . . ?
C140 C138 C139 109.6(14) . . ?
C140 C138 Si8 117.2(14) . . ?
C139 C138 Si8 114.6(11) . . ?
C140 C138 H197 104.6 . . ?
C139 C138 H197 104.6 . . ?
Si8 C138 H197 104.6 . . ?
C138 C139 C140 33.9(8) . . ?
C138 C139 H198 109.5 . . ?
C140 C139 H198 143.4 . . ?
C138 C139 H199 109.5 . . ?
C140 C139 H199 90.8 . . ?
H198 C139 H199 109.5 . . ?
C138 C139 H200 109.5 . . ?
C140 C139 H200 90.8 . . ?
H198 C139 H200 109.5 . . ?
H199 C139 H200 109.5 . . ?
C138 C140 C139 36.5(8) . . ?
C138 C140 H201 109.5 . . ?
C139 C140 H201 145.9 . . ?
C138 C140 H202 109.5 . . ?
C139 C140 H202 89.3 . . ?
H201 C140 H202 109.5 . . ?
C138 C140 H203 109.5 . . ?
C139 C140 H203 89.3 . . ?
H201 C140 H203 109.5 . . ?
H202 C140 H203 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 C1 N1 C2 -1.4(5) . . . . ?
C24 C1 N1 C2 179.0(3) . . . . ?
C1 N1 C2 C7 -1.7(5) . . . . ?
C1 N1 C2 C3 177.1(3) . . . . ?
N1 C2 C3 C4 177.2(3) . . . . ?
C7 C2 C3 C4 -4.0(5) . . . . ?
N1 C2 C3 C27 -3.4(5) . . . . ?
C7 C2 C3 C27 175.4(3) . . . . ?
C2 C3 C4 C5 0.6(6) . . . . ?
C27 C3 C4 C5 -178.9(3) . . . . ?
C3 C4 C5 C6 1.7(6) . . . . ?
C4 C5 C6 C7 -0.4(6) . . . . ?
C4 C5 C6 C38 -178.9(4) . . . . ?
N1 C2 C7 N2 3.6(5) . . . . ?
C3 C2 C7 N2 -175.2(3) . . . . ?
N1 C2 C7 C6 -176.0(3) . . . . ?
C3 C2 C7 C6 5.3(5) . . . . ?
C5 C6 C7 N2 177.4(3) . . . . ?
C38 C6 C7 N2 -4.1(5) . . . . ?
C5 C6 C7 C2 -3.0(5) . . . . ?
C38 C6 C7 C2 175.5(3) . . . . ?
C2 C7 N2 C8 -1.9(5) . . . . ?
C6 C7 N2 C8 177.7(3) . . . . ?
C7 N2 C8 C1 -1.2(5) . . . . ?
C7 N2 C8 C9 179.2(3) . . . . ?
N1 C1 C8 N2 3.1(5) . . . . ?
C24 C1 C8 N2 -177.3(3) . . . . ?
N1 C1 C8 C9 -177.3(3) . . . . ?
C24 C1 C8 C9 2.4(4) . . . . ?
N2 C8 C9 C10 -3.6(7) . . . . ?
C1 C8 C9 C10 176.8(4) . . . . ?
N2 C8 C9 C25 177.9(3) . . . . ?
C1 C8 C9 C25 -1.7(4) . . . . ?
C25 C9 C10 C11 -0.5(5) . . . . ?
C8 C9 C10 C11 -178.8(4) . . . . ?
C9 C10 C11 C12 -1.3(5) . . . . ?
C10 C11 C12 C26 1.1(5) . . . . ?
C10 C11 C12 C13 -178.8(4) . . . . ?
C11 C12 C13 N3 -1.6(7) . . . . ?
C26 C12 C13 N3 178.5(4) . . . . ?
C11 C12 C13 C20 178.0(4) . . . . ?
C26 C12 C13 C20 -1.9(4) . . . . ?
C20 C13 N3 C14 -1.3(5) . . . . ?
C12 C13 N3 C14 178.3(3) . . . . ?
C13 N3 C14 C19 -2.4(5) . . . . ?
C13 N3 C14 C15 178.8(3) . . . . ?
N3 C14 C15 C16 177.1(4) . . . . ?
C19 C14 C15 C16 -1.7(6) . . . . ?
N3 C14 C15 C49 -4.0(6) . . . . ?
C19 C14 C15 C49 177.2(4) . . . . ?
C14 C15 C16 C17 -0.5(6) . . . . ?
C49 C15 C16 C17 -179.4(4) . . . . ?
C15 C16 C17 C18 1.8(7) . . . . ?
C16 C17 C18 C19 -0.9(6) . . . . ?
C16 C17 C18 C60 179.8(4) . . . . ?
N3 C14 C19 N4 4.8(6) . . . . ?
C15 C14 C19 N4 -176.4(3) . . . . ?
N3 C14 C19 C18 -176.2(3) . . . . ?
C15 C14 C19 C18 2.6(6) . . . . ?
C17 C18 C19 N4 177.8(4) . . . . ?
C60 C18 C19 N4 -3.0(6) . . . . ?
C17 C18 C19 C14 -1.3(6) . . . . ?
C60 C18 C19 C14 177.9(4) . . . . ?
C14 C19 N4 C20 -3.0(5) . . . . ?
C18 C19 N4 C20 178.0(3) . . . . ?
C19 N4 C20 C13 -0.7(5) . . . . ?
C19 N4 C20 C21 179.8(3) . . . . ?
N3 C13 C20 N4 3.0(6) . . . . ?
C12 C13 C20 N4 -176.6(3) . . . . ?
N3 C13 C20 C21 -177.4(3) . . . . ?
C12 C13 C20 C21 3.0(4) . . . . ?
N4 C20 C21 C22 -1.2(7) . . . . ?
C13 C20 C21 C22 179.2(4) . . . . ?
N4 C20 C21 C26 176.7(4) . . . . ?
C13 C20 C21 C26 -2.9(4) . . . . ?
C26 C21 C22 C23 1.7(5) . . . . ?
C20 C21 C22 C23 179.4(4) . . . . ?
C21 C22 C23 C24 -1.5(5) . . . . ?
C22 C23 C24 C25 0.1(5) . . . . ?
C22 C23 C24 C1 -178.4(4) . . . . ?
N1 C1 C24 C23 -3.8(7) . . . . ?
C8 C1 C24 C23 176.6(4) . . . . ?
N1 C1 C24 C25 177.5(3) . . . . ?
C8 C1 C24 C25 -2.1(4) . . . . ?
C10 C9 C25 C26 2.4(5) . . . . ?
C8 C9 C25 C26 -178.7(3) . . . . ?
C10 C9 C25 C24 -178.5(3) . . . . ?
C8 C9 C25 C24 0.4(4) . . . . ?
C23 C24 C25 C26 1.1(5) . . . . ?
C1 C24 C25 C26 -179.9(3) . . . . ?
C23 C24 C25 C9 -178.0(3) . . . . ?
C1 C24 C25 C9 1.0(4) . . . . ?
C9 C25 C26 C12 -2.7(5) . . . . ?
C24 C25 C26 C12 178.3(3) . . . . ?
C9 C25 C26 C21 178.1(3) . . . . ?
C24 C25 C26 C21 -0.9(5) . . . . ?
C11 C12 C26 C25 0.9(5) . . . . ?
C13 C12 C26 C25 -179.2(3) . . . . ?
C11 C12 C26 C21 -179.9(3) . . . . ?
C13 C12 C26 C21 0.0(4) . . . . ?
C22 C21 C26 C25 -0.5(5) . . . . ?
C20 C21 C26 C25 -179.0(3) . . . . ?
C22 C21 C26 C12 -179.7(3) . . . . ?
C20 C21 C26 C12 1.8(4) . . . . ?
C28 Si1 C29 C31 -163.5(3) . . . . ?
C35 Si1 C29 C31 -44.9(3) . . . . ?
C32 Si1 C29 C31 79.2(3) . . . . ?
C28 Si1 C29 C30 -36.7(3) . . . . ?
C35 Si1 C29 C30 81.9(3) . . . . ?
C32 Si1 C29 C30 -154.0(3) . . . . ?
C28 Si1 C32 C33 -59.0(3) . . . . ?
C35 Si1 C32 C33 -175.6(3) . . . . ?
C29 Si1 C32 C33 58.3(3) . . . . ?
C28 Si1 C32 C34 174.4(3) . . . . ?
C35 Si1 C32 C34 57.8(3) . . . . ?
C29 Si1 C32 C34 -68.3(3) . . . . ?
C28 Si1 C35 C37 56.1(3) . . . . ?
C32 Si1 C35 C37 172.1(3) . . . . ?
C29 Si1 C35 C37 -62.0(3) . . . . ?
C28 Si1 C35 C36 -68.3(3) . . . . ?
C32 Si1 C35 C36 47.8(3) . . . . ?
C29 Si1 C35 C36 173.7(3) . . . . ?
C39 Si2 C40 C41 -162.2(3) . . . . ?
C46 Si2 C40 C41 80.2(3) . . . . ?
C43 Si2 C40 C41 -43.7(3) . . . . ?
C39 Si2 C40 C42 -36.0(3) . . . . ?
C46 Si2 C40 C42 -153.6(3) . . . . ?
C43 Si2 C40 C42 82.5(3) . . . . ?
C39 Si2 C43 C45 -69.6(3) . . . . ?
C46 Si2 C43 C45 47.0(3) . . . . ?
C40 Si2 C43 C45 172.6(3) . . . . ?
C39 Si2 C43 C44 55.2(3) . . . . ?
C46 Si2 C43 C44 171.8(3) . . . . ?
C40 Si2 C43 C44 -62.7(3) . . . . ?
C39 Si2 C46 C48 -59.0(3) . . . . ?
C40 Si2 C46 C48 58.0(3) . . . . ?
C43 Si2 C46 C48 -175.7(3) . . . . ?
C39 Si2 C46 C47 173.7(3) . . . . ?
C40 Si2 C46 C47 -69.3(3) . . . . ?
C43 Si2 C46 C47 57.0(3) . . . . ?
C50 Si3 C51 C52 68.0(4) . . . . ?
C54 Si3 C51 C52 -175.6(3) . . . . ?
C57 Si3 C51 C52 -51.5(4) . . . . ?
C50 Si3 C51 C53 -57.3(4) . . . . ?
C54 Si3 C51 C53 59.1(4) . . . . ?
C57 Si3 C51 C53 -176.8(3) . . . . ?
C50 Si3 C54 C141 154.5(5) . . . . ?
C57 Si3 C54 C141 -86.2(5) . . . . ?
C51 Si3 C54 C141 39.7(6) . . . . ?
C50 Si3 C54 C55 82.3(6) . . . . ?
C57 Si3 C54 C55 -158.5(5) . . . . ?
C51 Si3 C54 C55 -32.5(6) . . . . ?
C50 Si3 C54 C56 -63.2(4) . . . . ?
C57 Si3 C54 C56 56.0(4) . . . . ?
C51 Si3 C54 C56 -178.0(3) . . . . ?
C50 Si3 C57 C58 -30.6(4) . . . . ?
C54 Si3 C57 C58 -148.6(3) . . . . ?
C51 Si3 C57 C58 86.1(4) . . . . ?
C50 Si3 C57 C59 -157.8(3) . . . . ?
C54 Si3 C57 C59 84.2(3) . . . . ?
C51 Si3 C57 C59 -41.1(4) . . . . ?
C60 C61 Si4 C68 140(2) . . . . ?
C60 C61 Si4 C65 -99(2) . . . . ?
C60 C61 Si4 C62 17(2) . . . . ?
C61 Si4 C62 C64 -60.8(5) . . . . ?
C68 Si4 C62 C64 179.1(4) . . . . ?
C65 Si4 C62 C64 53.4(5) . . . . ?
C61 Si4 C62 C142 179.2(6) . . . . ?
C68 Si4 C62 C142 59.1(6) . . . . ?
C65 Si4 C62 C142 -66.6(6) . . . . ?
C61 Si4 C62 C63 57.4(4) . . . . ?
C68 Si4 C62 C63 -62.7(4) . . . . ?
C65 Si4 C62 C63 171.6(4) . . . . ?
C61 Si4 C65 C143 159.7(5) . . . . ?
C68 Si4 C65 C143 -80.5(5) . . . . ?
C62 Si4 C65 C143 47.1(5) . . . . ?
C61 Si4 C65 C67 -70.4(4) . . . . ?
C68 Si4 C65 C67 49.5(4) . . . . ?
C62 Si4 C65 C67 177.1(4) . . . . ?
C61 Si4 C65 C66 60.0(5) . . . . ?
C68 Si4 C65 C66 179.8(5) . . . . ?
C62 Si4 C65 C66 -52.6(5) . . . . ?
C61 Si4 C68 C70 -66.8(8) . . . . ?
C65 Si4 C68 C70 175.0(8) . . . . ?
C62 Si4 C68 C70 50.2(8) . . . . ?
C61 Si4 C68 C144 -159.1(11) . . . . ?
C65 Si4 C68 C144 82.7(11) . . . . ?
C62 Si4 C68 C144 -42.1(11) . . . . ?
C61 Si4 C68 C69 159.8(6) . . . . ?
C65 Si4 C68 C69 41.6(7) . . . . ?
C62 Si4 C68 C69 -83.2(7) . . . . ?
C61 Si4 C68 C145 -44.1(6) . . . . ?
C65 Si4 C68 C145 -162.2(6) . . . . ?
C62 Si4 C68 C145 73.0(6) . . . . ?
C78 C71 N5 C72 -0.1(15) . . . . ?
C94 C71 N5 C72 178.1(9) . . . . ?
C71 N5 C72 C73 178.6(9) . . . . ?
C71 N5 C72 C77 -1.0(15) . . . . ?
N5 C72 C73 C74 177.2(10) . . . . ?
C77 C72 C73 C74 -3.3(15) . . . . ?
N5 C72 C73 C97 -5.6(14) . . . . ?
C77 C72 C73 C97 173.9(10) . . . . ?
C97 C73 C74 C75 -173.8(9) . . . . ?
C72 C73 C74 C75 3.3(15) . . . . ?
C73 C74 C75 C76 -0.4(15) . . . . ?
C74 C75 C76 C77 -2.6(15) . . . . ?
C74 C75 C76 C108 175.0(8) . . . . ?
C75 C76 C77 N6 179.3(10) . . . . ?
C108 C76 C77 N6 1.7(16) . . . . ?
C75 C76 C77 C72 2.5(16) . . . . ?
C108 C76 C77 C72 -175.1(9) . . . . ?
N5 C72 C77 N6 3.3(17) . . . . ?
C73 C72 C77 N6 -176.3(10) . . . . ?
N5 C72 C77 C76 179.9(10) . . . . ?
C73 C72 C77 C76 0.4(16) . . . . ?
C76 C77 N6 C78 179.3(10) . . . . ?
C72 C77 N6 C78 -4.1(16) . . . . ?
C77 N6 C78 C71 3.0(14) . . . . ?
C77 N6 C78 C79 -179.1(10) . . . . ?
N5 C71 C78 N6 -1.1(15) . . . . ?
C94 C71 C78 N6 -179.6(9) . . . . ?
N5 C71 C78 C79 -179.3(9) . . . . ?
C94 C71 C78 C79 2.2(10) . . . . ?
N6 C78 C79 C80 2(2) . . . . ?
C71 C78 C79 C80 -179.5(11) . . . . ?
N6 C78 C79 C95 -179.6(12) . . . . ?
C71 C78 C79 C95 -1.6(12) . . . . ?
C95 C79 C80 C81 2.7(16) . . . . ?
C78 C79 C80 C81 -179.7(10) . . . . ?
C79 C80 C81 C82 -2.9(14) . . . . ?
C80 C81 C82 C96 2.1(12) . . . . ?
C80 C81 C82 C83 179.6(12) . . . . ?
C81 C82 C83 N7 2(2) . . . . ?
C96 C82 C83 N7 179.6(12) . . . . ?
C81 C82 C83 C90 -179.4(10) . . . . ?
C96 C82 C83 C90 -1.7(11) . . . . ?
C82 C83 N7 C84 177.1(12) . . . . ?
C90 C83 N7 C84 -1.4(16) . . . . ?
C83 N7 C84 C89 1.0(14) . . . . ?
C83 N7 C84 C85 -178.6(9) . . . . ?
N7 C84 C85 C86 -179.8(8) . . . . ?
C89 C84 C85 C86 0.6(13) . . . . ?
N7 C84 C85 C119 5.0(13) . . . . ?
C89 C84 C85 C119 -174.7(9) . . . . ?
C119 C85 C86 C87 174.6(8) . . . . ?
C84 C85 C86 C87 -0.6(13) . . . . ?
C85 C86 C87 C88 -0.3(14) . . . . ?
C86 C87 C88 C89 1.2(14) . . . . ?
C86 C87 C88 C130 -173.5(8) . . . . ?
C87 C88 C89 N8 179.0(9) . . . . ?
C130 C88 C89 N8 -6.3(14) . . . . ?
C87 C88 C89 C84 -1.2(14) . . . . ?
C130 C88 C89 C84 173.5(9) . . . . ?
N7 C84 C89 N8 0.5(15) . . . . ?
C85 C84 C89 N8 -179.9(9) . . . . ?
N7 C84 C89 C88 -179.3(9) . . . . ?
C85 C84 C89 C88 0.3(13) . . . . ?
C88 C89 N8 C90 178.4(9) . . . . ?
C84 C89 N8 C90 -1.5(14) . . . . ?
C89 N8 C90 C83 1.0(15) . . . . ?
C89 N8 C90 C91 -178.0(9) . . . . ?
N7 C83 C90 N8 0.4(17) . . . . ?
C82 C83 C90 N8 -178.4(9) . . . . ?
N7 C83 C90 C91 179.6(11) . . . . ?
C82 C83 C90 C91 0.9(12) . . . . ?
N8 C90 C91 C92 -3(2) . . . . ?
C83 C90 C91 C92 178.0(13) . . . . ?
N8 C90 C91 C96 179.5(10) . . . . ?
C83 C90 C91 C96 0.3(11) . . . . ?
C96 C91 C92 C93 -1.8(15) . . . . ?
C90 C91 C92 C93 -179.2(11) . . . . ?
C91 C92 C93 C94 1.0(15) . . . . ?
C92 C93 C94 C95 -0.2(16) . . . . ?
C92 C93 C94 C71 178.0(10) . . . . ?
N5 C71 C94 C95 179.7(12) . . . . ?
C78 C71 C94 C95 -1.9(12) . . . . ?
N5 C71 C94 C93 1.3(18) . . . . ?
C78 C71 C94 C93 179.7(11) . . . . ?
C93 C94 C95 C96 0(2) . . . . ?
C71 C94 C95 C96 -178.4(12) . . . . ?
C93 C94 C95 C79 179.8(11) . . . . ?
C71 C94 C95 C79 1.0(16) . . . . ?
C80 C79 C95 C96 -2(2) . . . . ?
C78 C79 C95 C96 179.8(12) . . . . ?
C80 C79 C95 C94 178.7(11) . . . . ?
C78 C79 C95 C94 0.3(16) . . . . ?
C94 C95 C96 C91 -1(2) . . . . ?
C79 C95 C96 C91 179.4(12) . . . . ?
C94 C95 C96 C82 -179.4(12) . . . . ?
C79 C95 C96 C82 1.1(18) . . . . ?
C92 C91 C96 C95 1.9(16) . . . . ?
C90 C91 C96 C95 -179.9(10) . . . . ?
C92 C91 C96 C82 -179.7(9) . . . . ?
C90 C91 C96 C82 -1.6(11) . . . . ?
C81 C82 C96 C95 -1.3(14) . . . . ?
C83 C82 C96 C95 -179.6(11) . . . . ?
C81 C82 C96 C91 -179.6(8) . . . . ?
C83 C82 C96 C91 2.1(12) . . . . ?
C98 Si5 C99 C101 166.3(6) . . . . ?
C105 Si5 C99 C101 -74.7(7) . . . . ?
C102 Si5 C99 C101 51.7(8) . . . . ?
C98 Si5 C99 C100 37.0(7) . . . . ?
C105 Si5 C99 C100 156.1(6) . . . . ?
C102 Si5 C99 C100 -77.6(7) . . . . ?
C98 Si5 C102 C103 161.3(6) . . . . ?
C105 Si5 C102 C103 44.7(8) . . . . ?
C99 Si5 C102 C103 -82.1(7) . . . . ?
C98 Si5 C102 C104 -69.6(10) . . . . ?
C105 Si5 C102 C104 173.8(10) . . . . ?
C99 Si5 C102 C104 47.0(10) . . . . ?
C98 Si5 C105 C107 -58.8(8) . . . . ?
C99 Si5 C105 C107 -176.5(6) . . . . ?
C102 Si5 C105 C107 54.3(8) . . . . ?
C98 Si5 C105 C106 66.9(9) . . . . ?
C99 Si5 C105 C106 -50.8(9) . . . . ?
C102 Si5 C105 C106 180.0(7) . . . . ?
C75 C76 C108 C109 -23(6) . . . . ?
C77 C76 C108 C109 155(6) . . . . ?
C76 C108 C109 Si6 -71(10) . . . . ?
C108 C109 Si6 C113 46(6) . . . . ?
C108 C109 Si6 C110 -76(6) . . . . ?
C108 C109 Si6 C116 -173(6) . . . . ?
C109 Si6 C110 C112 164.4(8) . . . . ?
C113 Si6 C110 C112 35.1(9) . . . . ?
C116 Si6 C110 C112 -85.2(8) . . . . ?
C109 Si6 C110 C111 38.2(9) . . . . ?
C113 Si6 C110 C111 -91.1(8) . . . . ?
C116 Si6 C110 C111 148.6(8) . . . . ?
C109 Si6 C113 C115 -54.0(11) . . . . ?
C110 Si6 C113 C115 56.6(10) . . . . ?
C116 Si6 C113 C115 166.3(8) . . . . ?
C109 Si6 C113 C114 70.0(10) . . . . ?
C110 Si6 C113 C114 -179.4(8) . . . . ?
C116 Si6 C113 C114 -69.7(10) . . . . ?
C109 Si6 C116 C117 -14.0(16) . . . . ?
C113 Si6 C116 C117 131.3(13) . . . . ?
C110 Si6 C116 C117 -108.2(14) . . . . ?
C109 Si6 C116 C118 -170.9(10) . . . . ?
C113 Si6 C116 C118 -25.6(13) . . . . ?
C110 Si6 C116 C118 94.9(11) . . . . ?
C119 C120 Si7 C127 -23(4) . . . . ?
C119 C120 Si7 C121 -141(4) . . . . ?
C119 C120 Si7 C124 95(4) . . . . ?
C120 Si7 C121 C122 160.3(8) . . . . ?
C127 Si7 C121 C122 46.5(9) . . . . ?
C124 Si7 C121 C122 -79.7(9) . . . . ?
C120 Si7 C121 C123 -73.4(8) . . . . ?
C127 Si7 C121 C123 172.7(7) . . . . ?
C124 Si7 C121 C123 46.6(9) . . . . ?
C120 Si7 C124 C125 178.0(8) . . . . ?
C127 Si7 C124 C125 -68.6(9) . . . . ?
C121 Si7 C124 C125 57.9(10) . . . . ?
C120 Si7 C124 C126 49.0(10) . . . . ?
C127 Si7 C124 C126 162.4(8) . . . . ?
C121 Si7 C124 C126 -71.1(10) . . . . ?
C120 Si7 C127 C129 59.2(7) . . . . ?
C121 Si7 C127 C129 175.4(6) . . . . ?
C124 Si7 C127 C129 -56.6(8) . . . . ?
C120 Si7 C127 C128 -68.0(12) . . . . ?
C121 Si7 C127 C128 48.3(12) . . . . ?
C124 Si7 C127 C128 176.3(12) . . . . ?
C135 Si8 C132 C134 64.6(16) . . . . ?
C131 Si8 C132 C134 160.1(14) . . . . ?
C138 Si8 C132 C134 -63.4(18) . . . . ?
C135 Si8 C132 C133 -160.6(7) . . . . ?
C131 Si8 C132 C133 -65.2(9) . . . . ?
C138 Si8 C132 C133 71.4(12) . . . . ?
C132 Si8 C135 C136 106.9(13) . . . . ?
C131 Si8 C135 C136 -4.9(13) . . . . ?
C138 Si8 C135 C136 -109.5(13) . . . . ?
C132 Si8 C135 C137 -109.2(12) . . . . ?
C131 Si8 C135 C137 139.0(12) . . . . ?
C138 Si8 C135 C137 34.4(13) . . . . ?
Si8 C138 C139 C140 134(2) . . . . ?
Si8 C138 C140 C139 -132.9(19) . . . . ?

_refine_diff_density_max         0.908
_refine_diff_density_min         -0.374
_refine_diff_density_rms         0.059



