# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_FINAL_a
_database_code_depnum_ccdc_archive 'CCDC 1911385'
loop_
_audit_author_name
_audit_author_address
'Apurba Koner'
;Department of Chemistry, Indian Institute of Science Education and Research Bhopal
India
;
_audit_update_record             
;
2019-04-21 deposited with the CCDC.	2019-09-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H28 N5 O2 Si4'
_chemical_formula_weight         650.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   12.0158(4)
_cell_length_b                   15.2970(4)
_cell_length_c                   21.9620(7)
_cell_angle_alpha                71.487(2)
_cell_angle_beta                 74.306(2)
_cell_angle_gamma                67.734(2)
_cell_volume                     3490.2(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_F_000             1356
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    0.208
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            69636
_diffrn_reflns_av_unetI/netI     0.0916
_diffrn_reflns_av_R_equivalents  0.0600
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         0.992
_diffrn_reflns_theta_max         28.283
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             17249
_reflns_number_gt                8036
_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)+(0.1000P)²+1.2057P] 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         17249
_refine_ls_number_parameters     753
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2359
_refine_ls_R_factor_gt           0.1368
_refine_ls_wR_factor_ref         0.3850
_refine_ls_wR_factor_gt          0.3475
_refine_ls_goodness_of_fit_ref   1.724
_refine_ls_restrained_S_all      1.724
_refine_ls_shift/su_max          12.821
_refine_ls_shift/su_mean         0.140

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
Si01 Si 1.20573(11) 0.06690(9) 0.53466(8) 0.0473(4) Uani 1 1 d . . . . .
Si02 Si 1.25831(17) 0.08745(14) 0.15273(11) 0.0906(7) Uani 1 1 d . . . . .
Si03 Si 0.16383(18) 0.53701(12) 0.30456(13) 0.0961(8) Uani 1 1 d . . . . .
O004 O 0.2707(3) 0.4765(2) 0.62293(16) 0.0537(9) Uani 1 1 d . . . . .
O005 O 0.6180(3) 0.3006(3) 0.70649(19) 0.0546(9) Uani 1 1 d . . . . .
N1 N 0.4447(3) 0.3908(3) 0.6652(2) 0.0442(10) Uani 1 1 d . . . . .
Si1 Si 0.8263(4) 0.2889(5) 0.03898(17) 0.221(2) Uani 1 1 d . . . . .
C54 C 0.4426(4) 0.4053(3) 0.5515(2) 0.0372(11) Uani 1 1 d . . . . .
C50 C 0.6304(4) 0.3377(3) 0.4795(2) 0.0361(11) Uani 1 1 d . . . . .
C55 C 0.5688(4) 0.3540(3) 0.5412(2) 0.0357(10) Uani 1 1 d . . . . .
C51 C 0.5630(4) 0.3634(3) 0.4281(2) 0.0370(11) Uani 1 1 d . . . . .
C52 C 0.4365(4) 0.4159(3) 0.4393(2) 0.0372(11) Uani 1 1 d . . . . .
C49 C 0.7604(4) 0.2941(3) 0.4691(2) 0.0390(11) Uani 1 1 d . . . . .
C53 C 0.3806(4) 0.4365(3) 0.5003(2) 0.0399(12) Uani 1 1 d . . . . .
H53 H 0.2983 0.4728 0.5063 0.048 Uiso 1 1 calc R U . . .
C60 C 0.3775(4) 0.4282(3) 0.6142(2) 0.0427(12) Uani 1 1 d . . . . .
C42 C 0.6279(4) 0.3318(3) 0.3676(2) 0.0400(11) Uani 1 1 d . . . . .
C84 C 0.3559(4) 0.4532(3) 0.3932(3) 0.0415(12) Uani 1 1 d . . . . .
H84 H 0.4194 0.4369 0.3593 0.050 Uiso 1 1 calc R U . . .
C59 C 0.5672(4) 0.3356(3) 0.6587(3) 0.0465(12) Uani 1 1 d . . . . .
C44 C 0.7581(4) 0.2994(3) 0.3548(2) 0.0428(12) Uani 1 1 d . . . . .
C58 C 0.8195(4) 0.2582(3) 0.5238(3) 0.0432(12) Uani 1 1 d . . . . .
C48 C 0.8247(4) 0.2876(3) 0.4031(2) 0.0418(11) Uani 1 1 d . . . . .
C41 C 0.5664(4) 0.3305(3) 0.3232(3) 0.0491(13) Uani 1 1 d . . . . .
H41 H 0.4820 0.3449 0.3332 0.059 Uiso 1 1 calc R U . . .
C56 C 0.6308(4) 0.3203(3) 0.5936(2) 0.0407(11) Uani 1 1 d . . . . .
C61 C 0.9470(4) 0.2023(3) 0.5234(3) 0.0443(12) Uani 1 1 d . . . . .
H61 H 0.9678 0.2293 0.4793 0.053 Uiso 1 1 calc R U . . .
C45 C 0.9529(5) 0.2482(3) 0.2802(3) 0.0532(14) Uani 1 1 d . . . . .
C57 C 0.7547(4) 0.2702(3) 0.5847(3) 0.0448(12) Uani 1 1 d . . . . .
H57 H 0.7950 0.2442 0.6203 0.054 Uiso 1 1 calc R U . . .
C43 C 0.8219(4) 0.2784(3) 0.2929(3) 0.0477(13) Uani 1 1 d . . . . .
C62 C 1.0514(4) 0.1526(3) 0.5279(3) 0.0519(13) Uani 1 1 d . . . . .
H62 H 1.0731 0.2049 0.5278 0.062 Uiso 1 1 calc R U . . .
C31 C 0.2800(4) 0.4867(3) 0.3581(3) 0.0514(13) Uani 1 1 d . . . . .
H31 H 0.2749 0.5494 0.3570 0.062 Uiso 1 1 calc R U . . .
C46 C 1.0109(4) 0.2500(3) 0.3255(3) 0.0571(15) Uani 1 1 d . . . . .
H46 H 1.0949 0.2377 0.3156 0.068 Uiso 1 1 calc R U . . .
C69 C 1.2128(4) 0.0188(3) 0.6235(3) 0.0535(13) Uani 1 1 d . . . . .
H69 H 1.2031 0.0740 0.6402 0.064 Uiso 1 1 calc R U . . .
C67 C 1.3195(4) 0.1337(3) 0.4929(3) 0.0570(15) Uani 1 1 d . . . . .
H67 H 1.4006 0.0844 0.4924 0.068 Uiso 1 1 calc R U . . .
C64 C 1.2246(4) -0.0312(3) 0.4939(3) 0.0481(13) Uani 1 1 d . . . . .
H64 H 1.1892 -0.0785 0.5268 0.058 Uiso 1 1 calc R U . . .
C47 C 0.9499(4) 0.2691(3) 0.3850(3) 0.0511(13) Uani 1 1 d . . . . .
H47 H 0.9937 0.2697 0.4139 0.061 Uiso 1 1 calc R U . . .
C65 C 1.3591(4) -0.0872(3) 0.4729(3) 0.0552(14) Uani 1 1 d . . . . .
H65A H 1.3641 -0.1378 0.4543 0.083 Uiso 1 1 calc R U . . .
H65B H 1.3993 -0.1155 0.5102 0.083 Uiso 1 1 calc R U . . .
H65C H 1.3981 -0.0433 0.4411 0.083 Uiso 1 1 calc R U . . .
C40 C 0.6275(5) 0.3085(4) 0.2646(3) 0.0570(14) Uani 1 1 d . . . . .
H40 H 0.5828 0.3089 0.2359 0.068 Uiso 1 1 calc R U . . .
C91 C 0.3820(5) 0.4125(4) 0.7290(3) 0.0576(14) Uani 1 1 d . . . . .
H91A H 0.3129 0.4715 0.7222 0.069 Uiso 1 1 calc R U . . .
H91B H 0.4375 0.4250 0.7475 0.069 Uiso 1 1 calc R U . . .
C39 C 0.7520(5) 0.2858(4) 0.2466(3) 0.0569(14) Uani 1 1 d . . . . .
C63 C 1.1556(4) 0.0055(4) 0.4373(3) 0.0572(14) Uani 1 1 d . . . . .
H63A H 1.1866 0.0528 0.4038 0.086 Uiso 1 1 calc R U . . .
H63B H 1.0704 0.0350 0.4523 0.086 Uiso 1 1 calc R U . . .
H63C H 1.1661 -0.0480 0.4201 0.086 Uiso 1 1 calc R U . . .
C68 C 1.3156(5) 0.2033(4) 0.5314(4) 0.080(2) Uani 1 1 d . . . . .
H68A H 1.3773 0.2337 0.5098 0.120 Uiso 1 1 calc R U . . .
H68B H 1.3304 0.1673 0.5746 0.120 Uiso 1 1 calc R U . . .
H68C H 1.2368 0.2523 0.5337 0.120 Uiso 1 1 calc R U . . .
C89 C 1.0329(5) 0.2073(4) 0.2286(3) 0.0650(16) Uani 1 1 d . . . . .
H89 H 0.9791 0.2353 0.1990 0.078 Uiso 1 1 calc R U . . .
C70 C 1.1069(5) -0.0208(4) 0.6615(3) 0.0681(16) Uani 1 1 d . . . . .
H70A H 1.1085 -0.0712 0.6438 0.102 Uiso 1 1 calc R U . . .
H70B H 1.0307 0.0310 0.6580 0.102 Uiso 1 1 calc R U . . .
H70C H 1.1155 -0.0469 0.7066 0.102 Uiso 1 1 calc R U . . .
C71 C 1.3355(5) -0.0575(4) 0.6377(3) 0.0666(16) Uani 1 1 d . . . . .
H71A H 1.3367 -0.0743 0.6836 0.100 Uiso 1 1 calc R U . . .
H71B H 1.4004 -0.0313 0.6142 0.100 Uiso 1 1 calc R U . . .
H71C H 1.3465 -0.1145 0.6243 0.100 Uiso 1 1 calc R U . . .
C90 C 1.1193(5) 0.1631(4) 0.1936(3) 0.0723(17) Uani 1 1 d . . . . .
H90 H 1.0853 0.1953 0.1559 0.087 Uiso 1 1 calc R U . . .
C66 C 1.3079(5) 0.1863(4) 0.4218(3) 0.0726(18) Uani 1 1 d . . . . .
H66A H 1.2328 0.2395 0.4202 0.109 Uiso 1 1 calc R U . . .
H66B H 1.3083 0.1417 0.3992 0.109 Uiso 1 1 calc R U . . .
H66C H 1.3753 0.2107 0.4014 0.109 Uiso 1 1 calc R U . . .
C29 C 0.8005(5) 0.2749(5) 0.1807(4) 0.0727(17) Uani 1 1 d . . . . .
H29 H 0.8802 0.2398 0.1877 0.087 Uiso 1 1 calc R U . . .
C92 C 0.3374(8) 0.3331(6) 0.7772(3) 0.110(3) Uani 1 1 d . . . . .
H92 H 0.4123 0.2927 0.7950 0.132 Uiso 1 1 calc R U . . .
C38 C 0.8204(7) 0.2748(6) 0.1244(4) 0.094(2) Uani 1 1 d . . . . .
H38 H 0.8976 0.2287 0.1257 0.112 Uiso 1 1 calc R U . . .
C79 C 1.2235(7) -0.0061(6) 0.1297(5) 0.117(3) Uani 1 1 d . . . . .
H79 H 1.2052 0.0252 0.0855 0.141 Uiso 1 1 calc R U . . .
C93 C 0.2597(8) 0.3642(7) 0.8356(4) 0.114(3) Uani 1 1 d . . . . .
H93A H 0.2408 0.3084 0.8667 0.137 Uiso 1 1 calc R U . . .
H93B H 0.1834 0.4117 0.8237 0.137 Uiso 1 1 calc R U . . .
C86 C 0.1464(9) 0.4393(6) 0.2823(5) 0.130(4) Uani 1 1 d . . . . .
H86 H 0.1305 0.3914 0.3226 0.156 Uiso 1 1 calc R U . . .
C73 C 1.3624(7) 0.0269(7) 0.2150(5) 0.123(3) Uani 1 1 d . . . . .
H73 H 1.4382 -0.0143 0.1941 0.147 Uiso 1 1 calc R U . . .
C76 C 1.3218(8) 0.1688(7) 0.0779(5) 0.143(4) Uani 1 1 d . . . . .
H76 H 1.2736 0.1791 0.0452 0.172 Uiso 1 1 calc R U . . .
C85 C 0.2835(8) 0.3839(7) 0.2383(5) 0.123(3) Uani 1 1 d . . . . .
H85A H 0.2740 0.3366 0.2217 0.185 Uiso 1 1 calc R U . . .
H85B H 0.3441 0.3521 0.2661 0.185 Uiso 1 1 calc R U . . .
H85C H 0.3088 0.4320 0.2027 0.185 Uiso 1 1 calc R U . . .
C95 C 0.3197(10) 0.2612(7) 0.7528(5) 0.154(4) Uani 1 1 d . . . . .
H95A H 0.3964 0.2338 0.7261 0.185 Uiso 1 1 calc R U . . .
H95B H 0.2608 0.2973 0.7237 0.185 Uiso 1 1 calc R U . . .
C96 C 0.2800(10) 0.1776(6) 0.7966(5) 0.143(4) Uani 1 1 d . . . . .
H96A H 0.1999 0.2025 0.8216 0.172 Uiso 1 1 calc R U . . .
H96B H 0.3362 0.1403 0.8271 0.172 Uiso 1 1 calc R U . . .
C78 C 1.3349(8) -0.0949(6) 0.1214(5) 0.137(4) Uani 1 1 d . . . . .
H78A H 1.3547 -0.1333 0.1635 0.205 Uiso 1 1 calc R U . . .
H78B H 1.4028 -0.0742 0.0954 0.205 Uiso 1 1 calc R U . . .
H78C H 1.3175 -0.1333 0.1003 0.205 Uiso 1 1 calc R U . . .
C74 C 1.3985(8) 0.1004(9) 0.2350(6) 0.164(5) Uani 1 1 d . . . . .
H74A H 1.3282 0.1388 0.2593 0.245 Uiso 1 1 calc R U . . .
H74B H 1.4286 0.1424 0.1966 0.245 Uiso 1 1 calc R U . . .
H74C H 1.4609 0.0653 0.2615 0.245 Uiso 1 1 calc R U . . .
C87 C 0.359(2) 0.553(2) 0.1973(7) 0.371(17) Uani 1 1 d . . . . .
C94 C 0.3121(11) 0.4078(9) 0.8688(5) 0.170(5) Uani 1 1 d . . . . .
H94A H 0.3910 0.3641 0.8777 0.255 Uiso 1 1 calc R U . . .
H94B H 0.2590 0.4187 0.9090 0.255 Uiso 1 1 calc R U . . .
H94C H 0.3199 0.4687 0.8410 0.255 Uiso 1 1 calc R U . . .
C77 C 1.3004(9) 0.2685(7) 0.0831(5) 0.156(4) Uani 1 1 d . . . . .
H77A H 1.3536 0.2658 0.1098 0.234 Uiso 1 1 calc R U . . .
H77B H 1.2170 0.2954 0.1025 0.234 Uiso 1 1 calc R U . . .
H77C H 1.3166 0.3088 0.0405 0.234 Uiso 1 1 calc R U . . .
C88 C 0.0325(10) 0.4797(6) 0.2475(6) 0.197(7) Uani 1 1 d . . . . .
H88A H 0.0468 0.5255 0.2071 0.295 Uiso 1 1 calc R U . . .
H88B H -0.0382 0.5115 0.2751 0.295 Uiso 1 1 calc R U . . .
H88C H 0.0193 0.4269 0.2391 0.295 Uiso 1 1 calc R U . . .
C97 C 0.2744(10) 0.1120(9) 0.7607(6) 0.165(4) Uani 1 1 d . . . . .
H97A H 0.3539 0.0876 0.7350 0.198 Uiso 1 1 calc R U . . .
H97B H 0.2165 0.1485 0.7310 0.198 Uiso 1 1 calc R U . . .
C82 C 0.0024(10) 0.5673(13) 0.3760(12) 0.289(14) Uani 1 1 d . . . . .
H82 H -0.0636 0.5873 0.3513 0.346 Uiso 1 1 calc R U . . .
C75 C 1.4527(10) 0.1143(8) 0.0497(6) 0.212(7) Uani 1 1 d . . . . .
H75A H 1.4835 0.1575 0.0124 0.318 Uiso 1 1 calc R U . . .
H75B H 1.4526 0.0599 0.0368 0.318 Uiso 1 1 calc R U . . .
H75C H 1.5037 0.0914 0.0821 0.318 Uiso 1 1 calc R U . . .
C80 C 1.1094(10) -0.0294(8) 0.1681(6) 0.193(6) Uani 1 1 d . . . . .
H80A H 1.1078 -0.0863 0.1591 0.289 Uiso 1 1 calc R U . . .
H80B H 1.0390 0.0245 0.1560 0.289 Uiso 1 1 calc R U . . .
H80C H 1.1088 -0.0413 0.2138 0.289 Uiso 1 1 calc R U . . .
C72 C 1.3127(11) -0.0413(8) 0.2752(5) 0.182(6) Uani 1 1 d . . . . .
H72A H 1.3777 -0.0843 0.2987 0.274 Uiso 1 1 calc R U . . .
H72B H 1.2797 -0.0788 0.2616 0.274 Uiso 1 1 calc R U . . .
H72C H 1.2498 -0.0034 0.3029 0.274 Uiso 1 1 calc R U . . .
C81 C 0.0161(11) 0.679(2) 0.3744(18) 0.53(2) Uani 1 1 d . . . . .
H81A H 0.1005 0.6748 0.3620 0.790 Uiso 1 1 calc R U . . .
H81B H -0.0147 0.6915 0.4169 0.790 Uiso 1 1 calc R U . . .
H81C H -0.0299 0.7300 0.3434 0.790 Uiso 1 1 calc R U . . .
C83 C -0.0014(9) 0.4729(12) 0.4179(8) 0.222(8) Uani 1 1 d . . . . .
H83A H 0.0758 0.4368 0.4321 0.333 Uiso 1 1 calc R U . . .
H83B H -0.0178 0.4375 0.3940 0.333 Uiso 1 1 calc R U . . .
H83C H -0.0647 0.4819 0.4551 0.333 Uiso 1 1 calc R U . . .
C28 C 0.869(3) 0.4110(13) -0.0060(6) 0.318(15) Uani 1 1 d . . . . .
H28 H 0.8248 0.4614 0.0183 0.382 Uiso 1 1 calc R U . . .
C33 C 1.0201(19) 0.356(2) 0.0068(10) 0.38(2) Uani 1 1 d . . . . .
H33A H 1.0348 0.2871 0.0255 0.575 Uiso 1 1 calc R U . . .
H33B H 1.0342 0.3839 0.0361 0.575 Uiso 1 1 calc R U . . .
H33C H 1.0742 0.3651 -0.0340 0.575 Uiso 1 1 calc R U . . .
C36 C 0.885(3) 0.4521(16) -0.0735(11) 0.359(15) Uani 1 1 d . . . . .
H36 H 0.8963 0.4792 -0.1181 0.430 Uiso 1 1 calc R U . . .
C37 C 0.651(2) 0.319(2) 0.0369(12) 0.376(19) Uani 1 1 d . . . . .
H37 H 0.6264 0.2654 0.0682 0.452 Uiso 1 1 calc R U . . .
C32 C 0.838(2) 0.1159(13) 0.0419(14) 0.42(2) Uani 1 1 d . . . . .
H32A H 0.7672 0.1527 0.0213 0.628 Uiso 1 1 calc R U . . .
H32B H 0.8129 0.1043 0.0884 0.628 Uiso 1 1 calc R U . . .
H32C H 0.8759 0.0547 0.0299 0.628 Uiso 1 1 calc R U . . .
C25 C 0.578(2) 0.407(2) 0.0614(11) 0.42(2) Uani 1 1 d . . . . .
H25A H 0.5720 0.4639 0.0257 0.628 Uiso 1 1 calc R U . . .
H25B H 0.6165 0.4113 0.0929 0.628 Uiso 1 1 calc R U . . .
H25C H 0.4978 0.4036 0.0813 0.628 Uiso 1 1 calc R U . . .
C35 C 0.943(3) 0.183(3) 0.0163(11) 0.52(2) Uani 1 1 d . . . . .
H35 H 0.9990 0.1550 0.0478 0.628 Uiso 1 1 calc R U . . .
C34 C 1.012(3) 0.1827(16) -0.0430(12) 0.43(2) Uani 1 1 d . . . . .
H34A H 1.0005 0.2401 -0.0757 0.511 Uiso 1 1 calc R U . . .
H34B H 1.0704 0.1255 -0.0515 0.511 Uiso 1 1 calc R U . . .
C27 C 0.626(3) 0.325(3) -0.0265(15) 0.55(3) Uani 1 1 d . . . . .
H27A H 0.5876 0.3912 -0.0471 0.824 Uiso 1 1 calc R U . . .
H27B H 0.5737 0.2873 -0.0199 0.824 Uiso 1 1 calc R U . . .
H27C H 0.7018 0.2988 -0.0538 0.824 Uiso 1 1 calc R U . . .
C30 C 0.0771(16) 0.7110(8) 0.2115(10) 0.305(13) Uani 1 1 d . . . . .
H30A H 0.0908 0.6997 0.1690 0.458 Uiso 1 1 calc R U . . .
H30B H 0.0625 0.7786 0.2073 0.458 Uiso 1 1 calc R U . . .
H30C H 0.0074 0.6931 0.2378 0.458 Uiso 1 1 calc R U . . .
C26 C 0.192(3) 0.6483(11) 0.2442(13) 0.47(2) Uani 1 1 d . . . . .
H26A H 0.2091 0.6864 0.2662 0.565 Uiso 1 1 calc R U . . .
H26B H 0.2620 0.6290 0.2112 0.565 Uiso 1 1 calc R U . . .
C98 C 0.2355(13) 0.0251(9) 0.8082(7) 0.225(7) Uani 1 1 d . . . . .
H98A H 0.2839 -0.0042 0.8422 0.338 Uiso 1 1 calc R U . . .
H98B H 0.2476 -0.0222 0.7849 0.338 Uiso 1 1 calc R U . . .
H98C H 0.1509 0.0478 0.8270 0.338 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si01 C62 1.834(5) . ?
Si01 C69 1.866(6) . ?
Si01 C67 1.881(4) . ?
Si01 C64 1.896(5) . ?
Si02 C90 1.821(6) . ?
Si02 C79 1.873(8) . ?
Si02 C76 1.890(8) . ?
Si02 C73 1.881(9) . ?
Si03 C86 1.808(8) . ?
Si03 C31 1.850(6) . ?
Si03 C26 1.878(11) . ?
Si03 C82 2.139(18) . ?
O004 C60 1.212(5) . ?
O005 C59 1.227(6) . ?
N1 C59 1.386(6) . ?
N1 C60 1.404(6) . ?
N1 C91 1.473(6) . ?
Si1 C35 1.81(3) . ?
Si1 C38 1.802(8) . ?
Si1 C37 1.98(2) . ?
Si1 C28 2.001(15) . ?
C54 C53 1.376(6) . ?
C54 C55 1.411(6) . ?
C54 C60 1.464(7) . ?
C50 C55 1.406(6) . ?
C50 C51 1.434(6) . ?
C50 C49 1.431(6) . ?
C55 C56 1.394(6) . ?
C51 C52 1.419(6) . ?
C51 C42 1.472(6) . ?
C52 C53 1.402(6) . ?
C52 C84 1.425(7) . ?
C49 C58 1.414(7) . ?
C49 C48 1.460(6) . ?
C53 H53 0.9300 . ?
C42 C41 1.383(7) . ?
C42 C44 1.427(6) . ?
C84 C31 1.210(6) . ?
C84 H84 0.9300 . ?
C59 C56 1.472(7) . ?
C44 C48 1.424(7) . ?
C44 C43 1.437(7) . ?
C58 C57 1.384(7) . ?
C58 C61 1.443(6) . ?
C48 C47 1.388(6) . ?
C41 C40 1.374(7) . ?
C41 H41 0.9300 . ?
C56 C57 1.383(6) . ?
C61 C62 1.207(6) . ?
C61 H61 0.9300 . ?
C45 C46 1.372(7) . ?
C45 C43 1.435(7) . ?
C45 C89 1.415(7) . ?
C57 H57 0.9300 . ?
C43 C39 1.438(7) . ?
C62 H62 0.9300 . ?
C31 H31 0.9300 . ?
C46 C47 1.376(7) . ?
C46 H46 0.9300 . ?
C69 C71 1.532(7) . ?
C69 C70 1.540(7) . ?
C69 H69 0.9800 . ?
C67 C66 1.529(8) . ?
C67 C68 1.537(8) . ?
C67 H67 0.9800 . ?
C64 C63 1.518(7) . ?
C64 C65 1.535(6) . ?
C64 H64 0.9800 . ?
C47 H47 0.9300 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C40 C39 1.374(7) . ?
C40 H40 0.9300 . ?
C91 C92 1.501(8) . ?
C91 H91A 0.9700 . ?
C91 H91B 0.9700 . ?
C39 C29 1.445(9) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C89 C90 1.222(7) . ?
C89 H89 0.9300 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C90 H90 0.9300 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C29 C38 1.195(8) . ?
C29 H29 0.9300 . ?
C92 C95 1.468(11) . ?
C92 C93 1.466(10) . ?
C92 H92 0.9800 . ?
C38 H38 0.9300 . ?
C79 C80 1.507(11) . ?
C79 C78 1.522(10) . ?
C79 H79 0.9800 . ?
C93 C94 1.499(11) . ?
C93 H93A 0.9700 . ?
C93 H93B 0.9700 . ?
C86 C88 1.569(10) . ?
C86 C85 1.722(13) . ?
C86 H86 0.9800 . ?
C73 C72 1.536(13) . ?
C73 C74 1.560(13) . ?
C73 H73 0.9800 . ?
C76 C77 1.484(11) . ?
C76 C75 1.537(12) . ?
C76 H76 0.9800 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C95 C96 1.490(10) . ?
C95 H95A 0.9700 . ?
C95 H95B 0.9700 . ?
C96 C97 1.489(14) . ?
C96 H96A 0.9700 . ?
C96 H96B 0.9700 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C94 H94A 0.9600 . ?
C94 H94B 0.9600 . ?
C94 H94C 0.9600 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C88 H88A 0.9605 . ?
C88 H88B 0.9605 . ?
C88 H88C 0.9606 . ?
C97 C98 1.550(14) . ?
C97 H97A 0.9700 . ?
C97 H97B 0.9700 . ?
C82 C83 1.45(3) . ?
C82 C81 1.76(3) . ?
C82 H82 0.9800 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C81 H81A 0.9918 . ?
C81 H81B 0.9956 . ?
C81 H81C 0.9930 . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C28 C36 1.41(2) . ?
C28 C33 1.75(3) . ?
C28 H28 0.9800 . ?
C33 H33A 0.9605 . ?
C33 H33B 0.9605 . ?
C33 H33C 0.9605 . ?
C36 H36 0.9300 . ?
C37 C27 1.47(3) . ?
C37 C25 1.48(3) . ?
C37 H37 0.9800 . ?
C32 C35 1.79(4) . ?
C32 H32A 1.1410 . ?
C32 H32B 1.1620 . ?
C32 H32C 1.1442 . ?
C25 H25A 0.9915 . ?
C25 H25B 0.9945 . ?
C25 H25C 0.9918 . ?
C35 C34 1.34(2) . ?
C35 H35 0.9800 . ?
C34 H34A 0.9300 . ?
C34 H34B 0.9300 . ?
C27 H27A 0.9623 . ?
C27 H27B 0.9630 . ?
C27 H27C 0.9633 . ?
C30 C26 1.56(2) . ?
C30 H30A 0.9601 . ?
C30 H30B 0.9601 . ?
C30 H30C 0.9601 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C98 H98A 0.9600 . ?
C98 H98B 0.9600 . ?
C98 H98C 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
C62 Si01 C69 106.8(2) . . ?
C62 Si01 C67 109.0(2) . . ?
C69 Si01 C67 110.4(2) . . ?
C62 Si01 C64 105.8(2) . . ?
C69 Si01 C64 112.6(2) . . ?
C67 Si01 C64 111.9(2) . . ?
C90 Si02 C79 109.8(3) . . ?
C90 Si02 C76 108.3(3) . . ?
C79 Si02 C76 110.7(4) . . ?
C90 Si02 C73 104.8(3) . . ?
C79 Si02 C73 110.3(5) . . ?
C76 Si02 C73 112.8(5) . . ?
C86 Si03 C31 109.8(3) . . ?
C86 Si03 C26 123.9(9) . . ?
C31 Si03 C26 107.3(7) . . ?
C86 Si03 C82 99.5(5) . . ?
C31 Si03 C82 99.3(5) . . ?
C26 Si03 C82 114.2(12) . . ?
C59 N1 C60 123.4(4) . . ?
C59 N1 C91 118.3(4) . . ?
C60 N1 C91 118.2(4) . . ?
C35 Si1 C38 107.3(10) . . ?
C35 Si1 C37 122.5(14) . . ?
C38 Si1 C37 100.7(7) . . ?
C35 Si1 C28 112.4(13) . . ?
C38 Si1 C28 104.9(6) . . ?
C37 Si1 C28 107.2(14) . . ?
C53 C54 C55 118.4(4) . . ?
C53 C54 C60 119.6(4) . . ?
C55 C54 C60 122.0(4) . . ?
C55 C50 C51 120.0(4) . . ?
C55 C50 C49 119.4(4) . . ?
C51 C50 C49 120.6(4) . . ?
C56 C55 C54 118.3(4) . . ?
C56 C55 C50 120.9(4) . . ?
C54 C55 C50 120.9(4) . . ?
C52 C51 C50 117.9(4) . . ?
C52 C51 C42 123.7(4) . . ?
C50 C51 C42 118.4(4) . . ?
C53 C52 C51 119.7(4) . . ?
C53 C52 C84 114.0(4) . . ?
C51 C52 C84 126.3(4) . . ?
C58 C49 C50 117.8(4) . . ?
C58 C49 C48 123.4(4) . . ?
C50 C49 C48 118.8(4) . . ?
C54 C53 C52 122.7(4) . . ?
C54 C53 H53 118.6 . . ?
C52 C53 H53 118.7 . . ?
O004 C60 N1 120.3(4) . . ?
O004 C60 C54 122.9(5) . . ?
N1 C60 C54 116.8(4) . . ?
C41 C42 C44 118.6(4) . . ?
C41 C42 C51 121.9(4) . . ?
C44 C42 C51 119.5(4) . . ?
C31 C84 C52 174.7(5) . . ?
C31 C84 H84 92.7 . . ?
C52 C84 H84 92.5 . . ?
O005 C59 N1 119.7(5) . . ?
O005 C59 C56 122.6(5) . . ?
N1 C59 C56 117.8(5) . . ?
C42 C44 C48 120.1(4) . . ?
C42 C44 C43 119.8(5) . . ?
C48 C44 C43 120.1(4) . . ?
C57 C58 C49 120.9(4) . . ?
C57 C58 C61 114.0(5) . . ?
C49 C58 C61 125.0(4) . . ?
C47 C48 C44 117.6(4) . . ?
C47 C48 C49 122.8(5) . . ?
C44 C48 C49 119.6(4) . . ?
C42 C41 C40 121.2(5) . . ?
C42 C41 H41 119.4 . . ?
C40 C41 H41 119.4 . . ?
C57 C56 C55 119.5(4) . . ?
C57 C56 C59 119.1(5) . . ?
C55 C56 C59 121.5(4) . . ?
C62 C61 C58 175.2(6) . . ?
C62 C61 H61 92.4 . . ?
C58 C61 H61 92.4 . . ?
C46 C45 C43 117.9(5) . . ?
C46 C45 C89 114.0(5) . . ?
C43 C45 C89 127.8(6) . . ?
C56 C57 C58 121.1(5) . . ?
C56 C57 H57 119.4 . . ?
C58 C57 H57 119.4 . . ?
C39 C43 C45 122.4(5) . . ?
C39 C43 C44 118.6(4) . . ?
C45 C43 C44 119.0(5) . . ?
C61 C62 Si01 174.3(4) . . ?
C61 C62 H62 92.8 . . ?
Si01 C62 H62 92.8 . . ?
C84 C31 Si03 179.6(4) . . ?
C84 C31 H31 90.2 . . ?
Si03 C31 H31 90.2 . . ?
C45 C46 C47 122.7(5) . . ?
C45 C46 H46 118.6 . . ?
C47 C46 H46 118.6 . . ?
C71 C69 C70 110.5(4) . . ?
C71 C69 Si01 113.4(4) . . ?
C70 C69 Si01 112.1(4) . . ?
C71 C69 H69 106.8 . . ?
C70 C69 H69 106.8 . . ?
Si01 C69 H69 106.8 . . ?
C66 C67 C68 111.2(4) . . ?
C66 C67 Si01 113.4(4) . . ?
C68 C67 Si01 111.7(4) . . ?
C66 C67 H67 106.7 . . ?
C68 C67 H67 106.7 . . ?
Si01 C67 H67 106.7 . . ?
C63 C64 C65 110.6(4) . . ?
C63 C64 Si01 113.7(3) . . ?
C65 C64 Si01 112.5(3) . . ?
C63 C64 H64 106.5 . . ?
C65 C64 H64 106.5 . . ?
Si01 C64 H64 106.5 . . ?
C46 C47 C48 121.7(5) . . ?
C46 C47 H47 119.2 . . ?
C48 C47 H47 119.2 . . ?
C64 C65 H65A 109.4 . . ?
C64 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C39 C40 C41 122.7(5) . . ?
C39 C40 H40 118.7 . . ?
C41 C40 H40 118.6 . . ?
N1 C91 C92 114.5(5) . . ?
N1 C91 H91A 108.6 . . ?
C92 C91 H91A 108.6 . . ?
N1 C91 H91B 108.6 . . ?
C92 C91 H91B 108.7 . . ?
H91A C91 H91B 107.6 . . ?
C40 C39 C43 118.5(5) . . ?
C40 C39 C29 115.8(6) . . ?
C43 C39 C29 125.7(5) . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C90 C89 C45 166.0(7) . . ?
C90 C89 H89 97.0 . . ?
C45 C89 H89 97.0 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C89 C90 Si02 171.2(7) . . ?
C89 C90 H90 94.4 . . ?
Si02 C90 H90 94.4 . . ?
C67 C66 H66A 109.5 . . ?
C67 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C67 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C38 C29 C39 168.6(7) . . ?
C38 C29 H29 95.7 . . ?
C39 C29 H29 95.7 . . ?
C95 C92 C93 121.7(7) . . ?
C95 C92 C91 118.6(6) . . ?
C93 C92 C91 112.1(7) . . ?
C95 C92 H92 99.2 . . ?
C93 C92 H92 99.3 . . ?
C91 C92 H92 99.3 . . ?
C29 C38 Si1 170.8(7) . . ?
C29 C38 H38 94.6 . . ?
Si1 C38 H38 94.6 . . ?
C80 C79 C78 114.4(7) . . ?
C80 C79 Si02 115.6(6) . . ?
C78 C79 Si02 112.8(6) . . ?
C80 C79 H79 104.1 . . ?
C78 C79 H79 104.0 . . ?
Si02 C79 H79 104.1 . . ?
C92 C93 C94 115.9(7) . . ?
C92 C93 H93A 108.4 . . ?
C94 C93 H93A 108.4 . . ?
C92 C93 H93B 108.3 . . ?
C94 C93 H93B 108.2 . . ?
H93A C93 H93B 107.4 . . ?
C88 C86 C85 115.9(9) . . ?
C88 C86 Si03 109.6(6) . . ?
C85 C86 Si03 107.9(5) . . ?
C88 C86 H86 107.7 . . ?
C85 C86 H86 107.8 . . ?
Si03 C86 H86 107.7 . . ?
C72 C73 C74 111.2(9) . . ?
C72 C73 Si02 113.0(8) . . ?
C74 C73 Si02 113.1(7) . . ?
C72 C73 H73 106.3 . . ?
C74 C73 H73 106.3 . . ?
Si02 C73 H73 106.4 . . ?
C77 C76 C75 115.9(7) . . ?
C77 C76 Si02 115.8(6) . . ?
C75 C76 Si02 111.1(7) . . ?
C77 C76 H76 104.1 . . ?
C75 C76 H76 104.1 . . ?
Si02 C76 H76 104.1 . . ?
C86 C85 H85A 109.4 . . ?
C86 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C86 C85 H85C 109.6 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C92 C95 C96 123.0(9) . . ?
C92 C95 H95A 106.7 . . ?
C96 C95 H95A 106.7 . . ?
C92 C95 H95B 106.4 . . ?
C96 C95 H95B 106.5 . . ?
H95A C95 H95B 106.5 . . ?
C95 C96 C97 113.1(9) . . ?
C95 C96 H96A 109.0 . . ?
C97 C96 H96A 108.9 . . ?
C95 C96 H96B 108.9 . . ?
C97 C96 H96B 109.0 . . ?
H96A C96 H96B 107.8 . . ?
C79 C78 H78A 109.4 . . ?
C79 C78 H78B 109.6 . . ?
H78A C78 H78B 109.5 . . ?
C79 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C73 C74 H74A 109.4 . . ?
C73 C74 H74B 109.6 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.4 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C93 C94 H94A 109.3 . . ?
C93 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C93 C94 H94C 109.6 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C86 C88 H88A 109.5 . . ?
C86 C88 H88B 109.5 . . ?
H88A C88 H88B 109.4 . . ?
C86 C88 H88C 109.6 . . ?
H88A C88 H88C 109.4 . . ?
H88B C88 H88C 109.4 . . ?
C96 C97 C98 111.2(10) . . ?
C96 C97 H97A 109.4 . . ?
C98 C97 H97A 109.4 . . ?
C96 C97 H97B 109.5 . . ?
C98 C97 H97B 109.2 . . ?
H97A C97 H97B 108.0 . . ?
C83 C82 C81 144(2) . . ?
C83 C82 Si03 105.4(7) . . ?
C81 C82 Si03 91.8(13) . . ?
C83 C82 H82 103.2 . . ?
C81 C82 H82 103.5 . . ?
Si03 C82 H82 103.2 . . ?
C76 C75 H75A 109.5 . . ?
C76 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C76 C75 H75C 109.4 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C79 C80 H80C 109.4 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C73 C72 H72A 109.4 . . ?
C73 C72 H72B 109.6 . . ?
H72A C72 H72B 109.5 . . ?
C73 C72 H72C 109.4 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C82 C81 H81A 111.7 . . ?
C82 C81 H81B 112.9 . . ?
H81A C81 H81B 106.7 . . ?
C82 C81 H81C 112.1 . . ?
H81A C81 H81C 106.6 . . ?
H81B C81 H81C 106.4 . . ?
C82 C83 H83A 109.6 . . ?
C82 C83 H83B 109.3 . . ?
H83A C83 H83B 109.5 . . ?
C82 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C36 C28 C33 101(2) . . ?
C36 C28 Si1 126.3(16) . . ?
C33 C28 Si1 92.8(13) . . ?
C36 C28 H28 111.0 . . ?
C33 C28 H28 111.4 . . ?
Si1 C28 H28 111.1 . . ?
C28 C33 H33A 110.0 . . ?
C28 C33 H33B 109.1 . . ?
H33A C33 H33B 109.4 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.4 . . ?
H33B C33 H33C 109.4 . . ?
C28 C36 H36 179.7 . . ?
C27 C37 C25 113(3) . . ?
C27 C37 Si1 114(2) . . ?
C25 C37 Si1 109.9(19) . . ?
C27 C37 H37 106.4 . . ?
C25 C37 H37 106.3 . . ?
Si1 C37 H37 106.4 . . ?
C35 C32 H32A 124.4 . . ?
C35 C32 H32B 125.2 . . ?
H32A C32 H32B 91.0 . . ?
C35 C32 H32C 123.8 . . ?
H32A C32 H32C 91.6 . . ?
H32B C32 H32C 90.8 . . ?
C37 C25 H25A 112.4 . . ?
C37 C25 H25B 113.4 . . ?
H25A C25 H25B 105.7 . . ?
C37 C25 H25C 112.6 . . ?
H25A C25 H25C 106.1 . . ?
H25B C25 H25C 106.0 . . ?
C34 C35 Si1 124(3) . . ?
C34 C35 C32 117(2) . . ?
Si1 C35 C32 91.6(15) . . ?
C34 C35 H35 106.9 . . ?
Si1 C35 H35 107.2 . . ?
C32 C35 H35 108.0 . . ?
C35 C34 H34A 120.9 . . ?
C35 C34 H34B 119.1 . . ?
H34A C34 H34B 120.0 . . ?
C37 C27 H27A 107.9 . . ?
C37 C27 H27B 110.2 . . ?
H27A C27 H27B 109.0 . . ?
C37 C27 H27C 111.2 . . ?
H27A C27 H27C 109.4 . . ?
H27B C27 H27C 109.1 . . ?
C26 C30 H30A 110.2 . . ?
C26 C30 H30B 108.8 . . ?
H30A C30 H30B 109.5 . . ?
C26 C30 H30C 109.4 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C30 C26 Si03 109.8(14) . . ?
C30 C26 H26A 110.3 . . ?
Si03 C26 H26A 110.2 . . ?
C30 C26 H26B 109.0 . . ?
Si03 C26 H26B 109.3 . . ?
H26A C26 H26B 108.1 . . ?
C97 C98 H98A 109.3 . . ?
C97 C98 H98B 109.6 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?

_refine_diff_density_max         1.852
_refine_diff_density_min         -1.040
_refine_diff_density_rms         0.109

