# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_211229yamagata_sq
_database_code_depnum_ccdc_archive 'CCDC 2165311'
loop_
_audit_author_name
_audit_author_address
'Kyo Yamagata'
;Kyoto University
Japan
;
_audit_update_record             
;
2022-04-08 deposited with the CCDC.	2022-06-28 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         '4(C80 H34 F20 N8 O7 Si2)'
_chemical_formula_sum            'C320 H152 F80 N32 O28 Si8'
_chemical_formula_weight         6637.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

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

_cell_length_a                   26.9658(2)
_cell_length_b                   15.33850(10)
_cell_length_c                   82.2466(5)
_cell_angle_alpha                90
_cell_angle_beta                 98.4360(10)
_cell_angle_gamma                90
_cell_volume                     33650.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    4799
_cell_measurement_theta_min      25.4
_cell_measurement_theta_max      71.1

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_F_000             13408
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    1.266
_shelx_estimated_absorpt_T_min   0.777
_shelx_estimated_absorpt_T_max   0.987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.859
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            419027
_diffrn_reflns_av_unetI/netI     0.0593
_diffrn_reflns_av_R_equivalents  0.1028
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -95
_diffrn_reflns_limit_l_max       93
_diffrn_reflns_theta_min         1.665
_diffrn_reflns_theta_max         62.999
_diffrn_reflns_theta_full        62.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             54325
_reflns_number_gt                36064
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_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)+(0.0692P)²+623.1894P] 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         54325
_refine_ls_number_parameters     4417
_refine_ls_number_restraints     7260
_refine_ls_R_factor_all          0.2059
_refine_ls_R_factor_gt           0.1644
_refine_ls_wR_factor_ref         0.3831
_refine_ls_wR_factor_gt          0.3596
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_restrained_S_all      1.107
_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
C1 C 0.1265(4) 0.3225(6) 0.26220(13) 0.0338(16) Uani 1 1 d . U . . .
C2 C 0.1376(4) 0.3377(6) 0.24624(13) 0.0329(17) Uani 1 1 d . U . . .
H1 H 0.1513 0.2976 0.2393 0.040 Uiso 1 1 calc R U . . .
C3 C 0.1240(4) 0.4258(7) 0.24279(14) 0.0349(17) Uani 1 1 d . U . . .
H2 H 0.1241 0.4548 0.2326 0.042 Uiso 1 1 calc R U . . .
C4 C 0.1104(4) 0.4626(7) 0.25714(13) 0.0339(16) Uani 1 1 d . U . . .
C5 C 0.0908(4) 0.5459(7) 0.25993(13) 0.0346(16) Uani 1 1 d . U . . .
C6 C 0.0739(4) 0.5644(6) 0.27338(13) 0.0337(15) Uani 1 1 d . U . . .
C7 C 0.0504(4) 0.6454(6) 0.27759(13) 0.0335(17) Uani 1 1 d . U . . .
H3 H 0.0475 0.6965 0.2710 0.040 Uiso 1 1 calc R U . . .
C8 C 0.0335(4) 0.6372(6) 0.29204(13) 0.0330(17) Uani 1 1 d . U . . .
H4 H 0.0178 0.6825 0.2973 0.040 Uiso 1 1 calc R U . . .
C9 C 0.0422(4) 0.5529(6) 0.29839(13) 0.0326(15) Uani 1 1 d . U . . .
C10 C 0.0323(4) 0.5174(7) 0.31186(13) 0.0327(15) Uani 1 1 d . U . . .
C11 C 0.0377(4) 0.4314(7) 0.31668(14) 0.0354(16) Uani 1 1 d . U . . .
C12 C 0.0270(4) 0.3861(7) 0.33121(14) 0.0369(18) Uani 1 1 d . U . . .
H5 H 0.0125 0.4114 0.3399 0.044 Uiso 1 1 calc R U . . .
C13 C 0.0404(4) 0.3061(7) 0.33041(14) 0.0376(18) Uani 1 1 d . U . . .
H6 H 0.0334 0.2616 0.3378 0.045 Uiso 1 1 calc R U . . .
C14 C 0.0685(4) 0.2927(6) 0.31628(14) 0.0347(16) Uani 1 1 d . U . . .
C15 C 0.0887(4) 0.2141(7) 0.31205(14) 0.0384(16) Uani 1 1 d . U . . .
C16 C 0.1044(4) 0.2068(6) 0.29732(14) 0.0352(16) Uani 1 1 d . U . . .
C17 C 0.1282(4) 0.1367(7) 0.28943(14) 0.0361(18) Uani 1 1 d . U . . .
H7 H 0.1383 0.0818 0.2941 0.043 Uiso 1 1 calc R U . . .
C18 C 0.1335(4) 0.1641(7) 0.27415(14) 0.0369(18) Uani 1 1 d . U . . .
H8 H 0.1405 0.1279 0.2654 0.044 Uiso 1 1 calc R U . . .
C19 C 0.1270(4) 0.2550(6) 0.27335(13) 0.0341(15) Uani 1 1 d . U . . .
N1 N 0.1097(3) 0.4012(5) 0.26884(10) 0.0302(14) Uani 1 1 d . U . . .
N2 N 0.0721(3) 0.5049(5) 0.28718(11) 0.0322(14) Uani 1 1 d . U . . .
N3 N 0.0672(3) 0.3725(5) 0.30799(11) 0.0350(14) Uani 1 1 d . U . . .
Si1 Si 0.10287(11) 0.39881(17) 0.29090(4) 0.0292(6) Uani 1 1 d . U . . .
N4 N 0.1088(3) 0.2841(5) 0.28758(11) 0.0337(14) Uani 1 1 d . U . . .
O1 O 0.1583(3) 0.4249(4) 0.30065(9) 0.0307(13) Uani 1 1 d . U . . .
Si2 Si 0.21878(11) 0.42599(16) 0.30343(4) 0.0281(6) Uani 1 1 d . U . . .
C20 C 0.2434(4) 0.3632(6) 0.27427(12) 0.0272(15) Uani 1 1 d . U . . .
C21 C 0.2567(4) 0.2870(6) 0.26561(13) 0.0293(16) Uani 1 1 d . U . . .
H9 H 0.2649 0.2860 0.2548 0.035 Uiso 1 1 calc R U . . .
C22 C 0.2555(4) 0.2177(6) 0.27546(13) 0.0309(17) Uani 1 1 d . U . . .
H10 H 0.2582 0.1581 0.2726 0.037 Uiso 1 1 calc R U . . .
C23 C 0.2492(4) 0.2526(6) 0.29138(13) 0.0279(15) Uani 1 1 d . U . . .
C24 C 0.2556(4) 0.2115(6) 0.30716(13) 0.0300(15) Uani 1 1 d . U . . .
C25 C 0.2468(4) 0.2601(6) 0.32058(14) 0.0349(16) Uani 1 1 d . U . . .
C26 C 0.2535(4) 0.2279(7) 0.33735(14) 0.0359(18) Uani 1 1 d . U . . .
H11 H 0.2613 0.1697 0.3407 0.043 Uiso 1 1 calc R U . . .
C27 C 0.2466(4) 0.2952(6) 0.34719(14) 0.0341(17) Uani 1 1 d . U . . .
H12 H 0.2470 0.2910 0.3587 0.041 Uiso 1 1 calc R U . . .
C28 C 0.2386(4) 0.3739(6) 0.33796(13) 0.0318(15) Uani 1 1 d . U . . .
C29 C 0.2349(4) 0.4526(7) 0.34363(13) 0.0315(15) Uani 1 1 d . U . . .
C30 C 0.2347(4) 0.5309(6) 0.33368(12) 0.0294(15) Uani 1 1 d . U . . .
C31 C 0.2353(4) 0.6111(7) 0.33843(14) 0.0361(18) Uani 1 1 d . U . . .
H13 H 0.2401 0.6293 0.3496 0.043 Uiso 1 1 calc R U . . .
C32 C 0.2281(4) 0.6673(7) 0.32505(13) 0.0342(17) Uani 1 1 d . U . . .
H14 H 0.2256 0.7291 0.3251 0.041 Uiso 1 1 calc R U . . .
C33 C 0.2253(4) 0.6121(6) 0.31159(13) 0.0292(15) Uani 1 1 d . U . . .
C34 C 0.2243(4) 0.6401(6) 0.29580(13) 0.0313(15) Uani 1 1 d . U . . .
C35 C 0.2298(4) 0.5799(6) 0.28253(13) 0.0298(15) Uani 1 1 d . U . . .
C36 C 0.2318(4) 0.5923(7) 0.26527(13) 0.0337(17) Uani 1 1 d . U . . .
H15 H 0.2269 0.6454 0.2593 0.040 Uiso 1 1 calc R U . . .
C37 C 0.2419(4) 0.5133(6) 0.25925(13) 0.0319(17) Uani 1 1 d . U . . .
H16 H 0.2500 0.5026 0.2486 0.038 Uiso 1 1 calc R U . . .
C38 C 0.2387(4) 0.4503(6) 0.27114(13) 0.0293(15) Uani 1 1 d . U . . .
N5 N 0.2403(3) 0.3399(5) 0.29021(10) 0.0291(13) Uani 1 1 d . U . . .
N6 N 0.2365(3) 0.3509(5) 0.32097(11) 0.0329(14) Uani 1 1 d . U . . .
N7 N 0.2315(3) 0.5251(5) 0.31645(10) 0.0263(13) Uani 1 1 d . U . . .
N8 N 0.2303(3) 0.4927(5) 0.28587(10) 0.0281(13) Uani 1 1 d . U . . .
C39 C 0.0873(4) 0.6098(7) 0.24620(14) 0.0363(16) Uani 1 1 d . U . . .
C40 C 0.1114(5) 0.6914(7) 0.24764(15) 0.0405(18) Uani 1 1 d . U . . .
C41 C 0.1099(5) 0.7505(7) 0.23504(15) 0.0442(18) Uani 1 1 d . U . . .
C42 C 0.0832(5) 0.7335(8) 0.22062(15) 0.0477(19) Uani 1 1 d . U . . .
C43 C 0.0562(5) 0.6559(8) 0.21770(15) 0.0475(19) Uani 1 1 d . U . . .
C44 C 0.0583(4) 0.5963(8) 0.23059(14) 0.0405(18) Uani 1 1 d . U . . .
F1 F 0.1389(3) 0.7134(4) 0.26219(8) 0.0439(15) Uani 1 1 d . U . . .
F2 F 0.1337(3) 0.8287(4) 0.23806(10) 0.0595(19) Uani 1 1 d . U . . .
F3 F 0.0825(3) 0.7928(5) 0.20787(10) 0.072(2) Uani 1 1 d . U . . .
F4 F 0.0313(3) 0.6385(6) 0.20306(9) 0.070(2) Uani 1 1 d . U . . .
F5 F 0.0341(3) 0.5196(5) 0.22769(8) 0.0512(17) Uani 1 1 d . U . . .
C45 C 0.0010(4) 0.5725(7) 0.32284(14) 0.0364(16) Uani 1 1 d . U . . .
C46 C 0.0286(5) 0.6349(7) 0.33359(15) 0.0413(16) Uani 1 1 d . U . . .
C47 C 0.0008(5) 0.6840(8) 0.34271(15) 0.0441(19) Uani 1 1 d . U . . .
H149 H 0.0186 0.7220 0.3506 0.053 Uiso 1 1 calc R U . . .
C48 C -0.0469(5) 0.6838(8) 0.34161(15) 0.0467(17) Uani 1 1 d . U . . .
C49 C -0.0768(5) 0.6258(7) 0.33086(15) 0.0425(18) Uani 1 1 d . U . . .
H150 H -0.1122 0.6235 0.3302 0.051 Uiso 1 1 calc R U . . .
C50 C -0.0497(4) 0.5710(7) 0.32112(15) 0.0412(16) Uani 1 1 d . U . . .
O2 O 0.0805(3) 0.6360(5) 0.33386(10) 0.0442(16) Uani 1 1 d . U . . .
C51 C 0.1078(5) 0.7019(7) 0.34174(16) 0.048(3) Uani 1 1 d . U . . .
H65 H 0.1433 0.6935 0.3408 0.072 Uiso 1 1 calc R U . . .
H66 H 0.0963 0.7577 0.3367 0.072 Uiso 1 1 calc R U . . .
H67 H 0.1033 0.7022 0.3534 0.072 Uiso 1 1 calc R U . . .
O3 O -0.0706(4) 0.7415(6) 0.35054(11) 0.0575(19) Uani 1 1 d . U . . .
C52 C -0.1256(5) 0.7524(9) 0.34754(18) 0.059(3) Uani 1 1 d . U . . .
H68 H -0.1355 0.7963 0.3551 0.089 Uiso 1 1 calc R U . . .
H69 H -0.1360 0.7713 0.3362 0.089 Uiso 1 1 calc R U . . .
H70 H -0.1417 0.6967 0.3494 0.089 Uiso 1 1 calc R U . . .
O4 O -0.0725(3) 0.5121(6) 0.31066(11) 0.0531(18) Uani 1 1 d . U . . .
C53 C -0.1242(5) 0.5144(10) 0.30728(19) 0.062(3) Uani 1 1 d . U . . .
H71 H -0.1360 0.4679 0.2995 0.092 Uiso 1 1 calc R U . . .
H72 H -0.1384 0.5058 0.3175 0.092 Uiso 1 1 calc R U . . .
H73 H -0.1350 0.5710 0.3025 0.092 Uiso 1 1 calc R U . . .
C54 C 0.0936(5) 0.1391(7) 0.32345(15) 0.0451(17) Uani 1 1 d . U . . .
C55 C 0.0720(6) 0.0577(8) 0.31888(17) 0.054(2) Uani 1 1 d . U . . .
C56 C 0.0780(6) -0.0159(8) 0.32698(18) 0.062(2) Uani 1 1 d . U . . .
C57 C 0.1078(6) -0.0134(9) 0.34411(19) 0.066(2) Uani 1 1 d . U . . .
C58 C 0.1222(6) 0.0648(9) 0.34843(18) 0.062(2) Uani 1 1 d . U . . .
C59 C 0.1188(5) 0.1412(7) 0.33919(16) 0.0490(19) Uani 1 1 d . U . . .
F6 F 0.0441(3) 0.0499(4) 0.30359(10) 0.0611(19) Uani 1 1 d . U . . .
F7 F 0.0617(4) -0.0939(5) 0.32165(11) 0.083(2) Uani 1 1 d . U . . .
F8 F 0.1271(4) -0.0832(5) 0.35190(10) 0.080(2) Uani 1 1 d . U . . .
F9 F 0.1559(4) 0.0697(6) 0.36399(11) 0.086(3) Uani 1 1 d . U . . .
F10 F 0.1415(2) 0.2146(4) 0.34502(8) 0.0454(16) Uani 1 1 d . U . . .
C60 C 0.2717(4) 0.1216(6) 0.30911(14) 0.0331(15) Uani 1 1 d . U . . .
C61 C 0.3200(4) 0.0954(7) 0.30513(15) 0.0411(18) Uani 1 1 d . U . . .
C62 C 0.3354(5) 0.0139(7) 0.30805(16) 0.0467(18) Uani 1 1 d . U . . .
C63 C 0.3110(5) -0.0494(7) 0.31408(17) 0.0477(19) Uani 1 1 d . U . . .
C64 C 0.2626(5) -0.0279(7) 0.31815(16) 0.0448(18) Uani 1 1 d . U . . .
C65 C 0.2454(4) 0.0534(7) 0.31552(15) 0.0377(17) Uani 1 1 d . U . . .
F11 F 0.3481(3) 0.1589(4) 0.30051(9) 0.0526(17) Uani 1 1 d . U . . .
F12 F 0.3841(3) -0.0038(5) 0.30399(10) 0.062(2) Uani 1 1 d . U . . .
F13 F 0.3286(3) -0.1313(4) 0.31646(10) 0.061(2) Uani 1 1 d . U . . .
F14 F 0.2400(3) -0.0929(4) 0.32457(10) 0.0573(19) Uani 1 1 d . U . . .
F15 F 0.2005(2) 0.0705(4) 0.31982(8) 0.0462(16) Uani 1 1 d . U . . .
C66 C 0.2430(4) 0.4695(7) 0.36168(13) 0.0337(15) Uani 1 1 d . U . . .
C67 C 0.2893(4) 0.4759(7) 0.37086(14) 0.0362(16) Uani 1 1 d . U . . .
C68 C 0.2976(4) 0.4990(7) 0.38732(13) 0.0343(17) Uani 1 1 d . U . . .
H151 H 0.3305 0.5050 0.3932 0.041 Uiso 1 1 calc R U . . .
C69 C 0.2555(4) 0.5131(7) 0.39494(13) 0.0352(16) Uani 1 1 d . U . . .
C70 C 0.2039(4) 0.5034(7) 0.38590(14) 0.0373(18) Uani 1 1 d . U . . .
H152 H 0.1754 0.5121 0.3912 0.045 Uiso 1 1 calc R U . . .
C71 C 0.1990(4) 0.4816(8) 0.36979(14) 0.0384(16) Uani 1 1 d . U . . .
O5 O 0.3280(2) 0.4617(5) 0.36188(9) 0.0337(14) Uani 1 1 d . U . . .
C72 C 0.3759(3) 0.4737(7) 0.37085(13) 0.028(2) Uani 1 1 d . U . . .
H74 H 0.4013 0.4626 0.3637 0.043 Uiso 1 1 calc R U . . .
H75 H 0.3792 0.5337 0.3750 0.043 Uiso 1 1 calc R U . . .
H76 H 0.3807 0.4331 0.3802 0.043 Uiso 1 1 calc R U . . .
O6 O 0.2554(2) 0.5361(5) 0.41038(9) 0.0355(15) Uani 1 1 d . U . . .
C73 C 0.3023(4) 0.5442(8) 0.42060(13) 0.036(2) Uani 1 1 d . U . . .
H77 H 0.2969 0.5615 0.4317 0.054 Uiso 1 1 calc R U . . .
H78 H 0.3199 0.4881 0.4211 0.054 Uiso 1 1 calc R U . . .
H79 H 0.3226 0.5886 0.4161 0.054 Uiso 1 1 calc R U . . .
O7 O 0.1568(3) 0.4746(5) 0.35978(9) 0.0401(16) Uani 1 1 d . U . . .
C74 C 0.1109(4) 0.4915(8) 0.36650(15) 0.044(3) Uani 1 1 d . U . . .
H80 H 0.0821 0.4842 0.3579 0.066 Uiso 1 1 calc R U . . .
H81 H 0.1083 0.4505 0.3755 0.066 Uiso 1 1 calc R U . . .
H82 H 0.1115 0.5513 0.3707 0.066 Uiso 1 1 calc R U . . .
C75 C 0.2206(4) 0.7346(6) 0.29181(13) 0.0348(16) Uani 1 1 d . U . . .
C76 C 0.1791(4) 0.7801(6) 0.29429(14) 0.0363(17) Uani 1 1 d . U . . .
C77 C 0.1686(4) 0.8666(6) 0.28964(14) 0.0376(17) Uani 1 1 d . U . . .
C78 C 0.2051(5) 0.9108(6) 0.28312(14) 0.0389(17) Uani 1 1 d . U . . .
C79 C 0.2511(5) 0.8694(7) 0.28137(14) 0.0399(18) Uani 1 1 d . U . . .
C80 C 0.2564(5) 0.7816(7) 0.28513(14) 0.0398(17) Uani 1 1 d . U . . .
F16 F 0.1392(2) 0.7401(4) 0.29998(9) 0.0478(16) Uani 1 1 d . U . . .
F17 F 0.1255(3) 0.9080(4) 0.29223(10) 0.063(2) Uani 1 1 d . U . . .
F18 F 0.2008(3) 0.9939(4) 0.27896(9) 0.0518(17) Uani 1 1 d . U . . .
F19 F 0.2872(3) 0.9131(4) 0.27603(8) 0.0486(16) Uani 1 1 d . U . . .
F20 F 0.2996(2) 0.7448(4) 0.28342(8) 0.0416(15) Uani 1 1 d . U . . .
C81 C 0.4236(4) 0.4326(6) 0.43921(12) 0.0259(14) Uani 1 1 d . U . . .
C82 C 0.4311(4) 0.3412(6) 0.43957(13) 0.0306(17) Uani 1 1 d . U . . .
H49 H 0.4204 0.3016 0.4473 0.037 Uiso 1 1 calc R U . . .
C83 C 0.4571(4) 0.3195(6) 0.42656(12) 0.0253(16) Uani 1 1 d . U . . .
H50 H 0.4687 0.2631 0.4241 0.030 Uiso 1 1 calc R U . . .
C84 C 0.4629(4) 0.3970(6) 0.41774(12) 0.0243(14) Uani 1 1 d . U . . .
C85 C 0.4845(4) 0.4113(6) 0.40369(12) 0.0257(13) Uani 1 1 d . U . . .
C86 C 0.4839(4) 0.4936(6) 0.39666(12) 0.0233(14) Uani 1 1 d . U . . .
C87 C 0.5002(3) 0.5164(6) 0.38164(12) 0.0223(15) Uani 1 1 d . U . . .
H51 H 0.5181 0.4794 0.3753 0.027 Uiso 1 1 calc R U . . .
C88 C 0.4861(3) 0.5993(6) 0.37780(12) 0.0255(16) Uani 1 1 d . U . . .
H52 H 0.4888 0.6282 0.3678 0.031 Uiso 1 1 calc R U . . .
C89 C 0.4674(4) 0.6339(6) 0.39078(12) 0.0260(14) Uani 1 1 d . U . . .
C90 C 0.4455(4) 0.7167(6) 0.39130(13) 0.0305(15) Uani 1 1 d . U . . .
C91 C 0.4212(4) 0.7418(6) 0.40505(13) 0.0322(15) Uani 1 1 d . U . . .
C92 C 0.3964(4) 0.8256(7) 0.40592(14) 0.0361(18) Uani 1 1 d . U . . .
H53 H 0.3923 0.8700 0.3978 0.043 Uiso 1 1 calc R U . . .
C93 C 0.3813(4) 0.8271(7) 0.41991(14) 0.0373(18) Uani 1 1 d . U . . .
H54 H 0.3666 0.8770 0.4241 0.045 Uiso 1 1 calc R U . . .
C94 C 0.3887(4) 0.7454(6) 0.42873(13) 0.0311(15) Uani 1 1 d . U . . .
C95 C 0.3750(4) 0.7203(6) 0.44281(13) 0.0302(15) Uani 1 1 d . U . . .
C96 C 0.3821(4) 0.6384(6) 0.44851(13) 0.0292(15) Uani 1 1 d . U . . .
C97 C 0.3634(4) 0.5881(7) 0.46223(13) 0.0316(17) Uani 1 1 d . U . . .
H55 H 0.3461 0.6130 0.4704 0.038 Uiso 1 1 calc R U . . .
C98 C 0.3745(4) 0.5065(6) 0.46133(12) 0.0280(16) Uani 1 1 d . U . . .
H56 H 0.3648 0.4609 0.4680 0.034 Uiso 1 1 calc R U . . .
C99 C 0.4056(3) 0.4976(6) 0.44768(12) 0.0239(14) Uani 1 1 d . U . . .
N9 N 0.4413(3) 0.4647(5) 0.42530(10) 0.0251(13) Uani 1 1 d . U . . .
N10 N 0.4608(3) 0.5707(5) 0.40292(9) 0.0222(13) Uani 1 1 d . U . . .
N11 N 0.4178(3) 0.6928(5) 0.41854(10) 0.0285(13) Uani 1 1 d . U . . .
N12 N 0.4072(3) 0.5769(5) 0.44055(10) 0.0252(13) Uani 1 1 d . U . . .
Si3 Si 0.44689(10) 0.58556(16) 0.42396(3) 0.0226(5) Uani 1 1 d . U . . .
O8 O 0.5024(2) 0.6091(4) 0.43360(8) 0.0210(11) Uani 1 1 d . U . . .
Si4 Si 0.54595(10) 0.61229(16) 0.44950(3) 0.0228(5) Uani 1 1 d . U . . .
N13 N 0.5301(3) 0.5207(5) 0.46259(9) 0.0235(13) Uani 1 1 d . U . . .
N14 N 0.5962(3) 0.5452(5) 0.44350(10) 0.0219(12) Uani 1 1 d . U . . .
N15 N 0.5783(3) 0.7145(5) 0.44520(10) 0.0263(13) Uani 1 1 d . U . . .
N16 N 0.5150(3) 0.6725(5) 0.46530(10) 0.0253(13) Uani 1 1 d . U . . .
C100 C 0.4979(4) 0.5350(6) 0.47363(12) 0.0250(14) Uani 1 1 d . U . . .
C101 C 0.4867(4) 0.4590(6) 0.48095(12) 0.0252(16) Uani 1 1 d . U . . .
H57 H 0.4657 0.4541 0.4892 0.030 Uiso 1 1 calc R U . . .
C102 C 0.5098(4) 0.3930(6) 0.47466(12) 0.0256(16) Uani 1 1 d . U . . .
H58 H 0.5071 0.3328 0.4771 0.031 Uiso 1 1 calc R U . . .
C103 C 0.5397(3) 0.4315(6) 0.46341(12) 0.0218(14) Uani 1 1 d . U . . .
C104 C 0.5779(3) 0.3995(6) 0.45492(12) 0.0236(14) Uani 1 1 d . U . . .
C105 C 0.6057(3) 0.4517(6) 0.44559(12) 0.0227(14) Uani 1 1 d . U . . .
C106 C 0.6451(3) 0.4278(6) 0.43722(12) 0.0224(15) Uani 1 1 d . U . . .
H59 H 0.6589 0.3709 0.4370 0.027 Uiso 1 1 calc R U . . .
C107 C 0.6600(4) 0.4961(6) 0.42985(12) 0.0259(16) Uani 1 1 d . U . . .
H60 H 0.6859 0.4964 0.4232 0.031 Uiso 1 1 calc R U . . .
C108 C 0.6311(4) 0.5714(6) 0.43341(12) 0.0240(14) Uani 1 1 d . U . . .
C109 C 0.6380(4) 0.6548(6) 0.42851(12) 0.0261(14) Uani 1 1 d . U . . .
C110 C 0.6108(4) 0.7233(6) 0.43428(12) 0.0283(15) Uani 1 1 d . U . . .
C111 C 0.6217(4) 0.8129(6) 0.43260(13) 0.0318(17) Uani 1 1 d . U . . .
H61 H 0.6468 0.8361 0.4269 0.038 Uiso 1 1 calc R U . . .
C112 C 0.5905(4) 0.8594(6) 0.44047(13) 0.0320(17) Uani 1 1 d . U . . .
H62 H 0.5864 0.9210 0.4401 0.038 Uiso 1 1 calc R U . . .
C113 C 0.5656(4) 0.8017(6) 0.44920(13) 0.0303(15) Uani 1 1 d . U . . .
C114 C 0.5321(4) 0.8245(6) 0.45992(13) 0.0305(14) Uani 1 1 d . U . . .
C115 C 0.5069(4) 0.7596(6) 0.46825(13) 0.0303(15) Uani 1 1 d . U . . .
C116 C 0.4738(4) 0.7671(6) 0.47973(12) 0.0273(16) Uani 1 1 d . U . . .
H63 H 0.4608 0.8196 0.4836 0.033 Uiso 1 1 calc R U . . .
C117 C 0.4634(4) 0.6819(6) 0.48445(12) 0.0265(16) Uani 1 1 d . U . . .
H64 H 0.4428 0.6653 0.4924 0.032 Uiso 1 1 calc R U . . .
C118 C 0.4901(4) 0.6245(6) 0.47486(12) 0.0261(14) Uani 1 1 d . U . . .
C119 C 0.5085(6) 0.3389(9) 0.3958(3) 0.0292(15) Uani 0.540(7) 1 d G U P A 5
C120 C 0.5596(5) 0.3345(8) 0.3949(2) 0.0307(16) Uani 0.540(7) 1 d G U P A 5
C121 C 0.5793(4) 0.2615(9) 0.38818(19) 0.0324(16) Uani 0.540(7) 1 d G U P A 5
C122 C 0.5480(5) 0.1929(7) 0.38231(18) 0.0334(17) Uani 0.540(7) 1 d G U P A 5
C123 C 0.4970(5) 0.1973(8) 0.38318(18) 0.0317(17) Uani 0.540(7) 1 d G U P A 5
C124 C 0.4773(4) 0.2703(10) 0.3899(2) 0.0310(16) Uani 0.540(7) 1 d G U P A 5
F21 F 0.5883(7) 0.3999(8) 0.4000(2) 0.032(2) Uani 0.540(7) 1 d . U P A 5
F22 F 0.6259(5) 0.2608(9) 0.38654(16) 0.038(2) Uani 0.540(7) 1 d . U P A 5
F23 F 0.5645(5) 0.1194(7) 0.37506(15) 0.043(2) Uani 0.540(7) 1 d . U P A 5
F24 F 0.4657(5) 0.1283(6) 0.37689(14) 0.033(2) Uani 0.540(7) 1 d . U P A 5
F25 F 0.4255(5) 0.2666(8) 0.39046(17) 0.033(2) Uani 0.540(7) 1 d . U P A 5
C125 C 0.4482(4) 0.7804(6) 0.37795(14) 0.0365(16) Uani 1 1 d . U . . .
C126 C 0.4221(5) 0.7669(7) 0.36225(15) 0.0419(17) Uani 1 1 d . U . . .
C127 C 0.4244(5) 0.8208(8) 0.34889(16) 0.050(2) Uani 1 1 d . U . . .
H145 H 0.4074 0.8080 0.3382 0.060 Uiso 1 1 calc R U . . .
C128 C 0.4550(6) 0.8990(8) 0.35249(17) 0.0544(18) Uani 1 1 d . U . . .
C129 C 0.4784(5) 0.9156(7) 0.36728(16) 0.0489(19) Uani 1 1 d . U . . .
H146 H 0.4954 0.9696 0.3694 0.059 Uiso 1 1 calc R U . . .
C130 C 0.4789(5) 0.8546(6) 0.38005(15) 0.0426(17) Uani 1 1 d . U . . .
O9 O 0.3930(3) 0.6922(5) 0.36047(10) 0.0445(17) Uani 1 1 d . U . . .
C131 C 0.3684(6) 0.6700(9) 0.34447(17) 0.064(3) Uani 1 1 d . U . . .
H83 H 0.3493 0.6160 0.3451 0.097 Uiso 1 1 calc R U . . .
H84 H 0.3455 0.7172 0.3403 0.097 Uiso 1 1 calc R U . . .
H85 H 0.3934 0.6616 0.3371 0.097 Uiso 1 1 calc R U . . .
O10 O 0.4503(4) 0.9549(6) 0.33893(12) 0.068(2) Uani 1 1 d . U . . .
C132 C 0.4636(7) 1.0390(10) 0.3405(2) 0.085(4) Uani 1 1 d . U . . .
H86 H 0.4576 1.0674 0.3297 0.127 Uiso 1 1 calc R U . . .
H87 H 0.4437 1.0679 0.3480 0.127 Uiso 1 1 calc R U . . .
H88 H 0.4993 1.0432 0.3450 0.127 Uiso 1 1 calc R U . . .
C133 C 0.5316(6) 0.9434(7) 0.39896(18) 0.059(3) Uani 1 1 d . U . . .
H89 H 0.5474 0.9427 0.4105 0.089 Uiso 1 1 calc R U . . .
H90 H 0.5576 0.9473 0.3918 0.089 Uiso 1 1 calc R U . . .
H91 H 0.5092 0.9939 0.3971 0.089 Uiso 1 1 calc R U . . .
O11 O 0.5029(3) 0.8640(4) 0.39531(10) 0.0480(17) Uani 1 1 d . U . . .
C134 C 0.3454(4) 0.7805(7) 0.45211(15) 0.0423(17) Uani 1 1 d . U . . .
C135 C 0.2964(5) 0.7612(9) 0.45426(18) 0.0534(19) Uani 1 1 d . U . . .
C136 C 0.2703(5) 0.8161(10) 0.4636(2) 0.066(2) Uani 1 1 d . U . . .
C137 C 0.2897(6) 0.8828(10) 0.4712(2) 0.068(2) Uani 1 1 d . U . . .
C138 C 0.3366(6) 0.9101(9) 0.46848(19) 0.062(2) Uani 1 1 d . U . . .
C139 C 0.3622(5) 0.8571(8) 0.45901(16) 0.0489(19) Uani 1 1 d . U . . .
F26 F 0.2737(2) 0.6896(5) 0.44772(12) 0.072(2) Uani 1 1 d . U . . .
F27 F 0.2280(4) 0.7877(7) 0.46842(14) 0.100(3) Uani 1 1 d . U . . .
F28 F 0.2654(4) 0.9333(7) 0.48106(14) 0.105(3) Uani 1 1 d . U . . .
F29 F 0.3569(4) 0.9825(5) 0.47547(12) 0.086(3) Uani 1 1 d . U . . .
F30 F 0.4070(3) 0.8839(4) 0.45693(8) 0.0495(17) Uani 1 1 d . U . . .
C140 C 0.5912(4) 0.3056(6) 0.45737(13) 0.0278(15) Uani 1 1 d . U . . .
C141 C 0.6106(4) 0.2727(7) 0.47286(13) 0.0331(17) Uani 1 1 d . U . . .
C142 C 0.6237(4) 0.1840(7) 0.47499(14) 0.0384(17) Uani 1 1 d . U . . .
C143 C 0.6164(4) 0.1265(7) 0.46293(14) 0.0359(17) Uani 1 1 d . U . . .
C144 C 0.5993(4) 0.1592(6) 0.44720(14) 0.0334(17) Uani 1 1 d . U . . .
C145 C 0.5878(4) 0.2433(6) 0.44506(13) 0.0295(16) Uani 1 1 d . U . . .
F31 F 0.6212(2) 0.3280(4) 0.48556(7) 0.0325(13) Uani 1 1 d . U . . .
F32 F 0.6445(2) 0.1607(4) 0.49128(8) 0.0478(17) Uani 1 1 d . U . . .
F33 F 0.6301(3) 0.0453(4) 0.46532(9) 0.0510(17) Uani 1 1 d . U . . .
F34 F 0.5911(3) 0.1000(4) 0.43478(9) 0.0541(18) Uani 1 1 d . U . . .
F35 F 0.5670(2) 0.2679(3) 0.42905(7) 0.0337(13) Uani 1 1 d . U . . .
C146 C 0.6765(4) 0.6779(6) 0.41818(13) 0.0328(15) Uani 1 1 d . U . . .
C147 C 0.6635(4) 0.7048(7) 0.40121(13) 0.0358(16) Uani 1 1 d . U . . .
C148 C 0.6970(5) 0.7288(7) 0.39142(14) 0.0387(18) Uani 1 1 d . U . . .
H147 H 0.6867 0.7473 0.3804 0.046 Uiso 1 1 calc R U . . .
C149 C 0.7493(5) 0.7252(8) 0.39837(14) 0.0447(17) Uani 1 1 d . U . . .
C150 C 0.7676(5) 0.7030(7) 0.41468(14) 0.0404(18) Uani 1 1 d . U . . .
H148 H 0.8022 0.7040 0.4191 0.048 Uiso 1 1 calc R U . . .
C151 C 0.7270(5) 0.6773(7) 0.42448(14) 0.0380(16) Uani 1 1 d . U . . .
O12 O 0.6113(3) 0.7062(5) 0.39625(9) 0.0382(15) Uani 1 1 d . U . . .
C152 C 0.5911(4) 0.7466(7) 0.38039(13) 0.039(2) Uani 1 1 d . U . . .
H92 H 0.5545 0.7425 0.3787 0.059 Uiso 1 1 calc R U . . .
H93 H 0.6011 0.8080 0.3805 0.059 Uiso 1 1 calc R U . . .
H94 H 0.6044 0.7161 0.3715 0.059 Uiso 1 1 calc R U . . .
O13 O 0.7787(4) 0.7534(6) 0.38745(11) 0.0588(19) Uani 1 1 d . U . . .
C153 C 0.8309(6) 0.7349(10) 0.39215(18) 0.071(4) Uani 1 1 d . U . . .
H95 H 0.8498 0.7570 0.3837 0.107 Uiso 1 1 calc R U . . .
H96 H 0.8428 0.7632 0.4027 0.107 Uiso 1 1 calc R U . . .
H97 H 0.8357 0.6717 0.3933 0.107 Uiso 1 1 calc R U . . .
O14 O 0.7376(3) 0.6547(5) 0.44001(10) 0.0443(16) Uani 1 1 d . U . . .
C154 C 0.7854(5) 0.6637(9) 0.44783(15) 0.052(3) Uani 1 1 d . U . . .
H98 H 0.7873 0.6442 0.4592 0.077 Uiso 1 1 calc R U . . .
H99 H 0.8080 0.6283 0.4422 0.077 Uiso 1 1 calc R U . . .
H100 H 0.7954 0.7251 0.4476 0.077 Uiso 1 1 calc R U . . .
C155 C 0.5175(6) 0.9178(6) 0.46061(16) 0.0358(16) Uani 0.575(7) 1 d G U P B 3
C156 C 0.4950(6) 0.9650(8) 0.44706(14) 0.0384(17) Uani 0.575(7) 1 d G U P B 3
C157 C 0.4845(6) 1.0530(8) 0.44867(15) 0.0419(18) Uani 0.575(7) 1 d G U P B 3
C158 C 0.4963(6) 1.0938(6) 0.46383(18) 0.0430(18) Uani 0.575(7) 1 d G U P B 3
C159 C 0.5187(6) 1.0467(8) 0.47737(14) 0.0409(16) Uani 0.575(7) 1 d G U P B 3
C160 C 0.5293(6) 0.9587(8) 0.47577(14) 0.0379(16) Uani 0.575(7) 1 d G U P B 3
F36 F 0.4814(5) 0.9273(8) 0.43225(16) 0.038(2) Uani 0.575(7) 1 d . U P B 3
F37 F 0.4606(5) 1.1038(7) 0.43724(18) 0.052(3) Uani 0.575(7) 1 d . U P B 3
F38 F 0.4875(5) 1.1789(7) 0.46690(17) 0.051(2) Uani 0.575(7) 1 d . U P B 3
F39 F 0.5302(5) 1.0811(7) 0.49250(16) 0.046(2) Uani 0.575(7) 1 d . U P B 3
F40 F 0.5526(5) 0.9182(9) 0.48885(18) 0.042(2) Uani 0.575(7) 1 d . U P B 3
C161 C -0.0116(4) 0.3742(6) 0.47550(12) 0.0272(14) Uani 1 1 d . U . . .
C162 C -0.0360(4) 0.3206(6) 0.48460(12) 0.0300(17) Uani 1 1 d . U . . .
H17 H -0.0561 0.3366 0.4927 0.036 Uiso 1 1 calc R U . . .
C163 C -0.0256(4) 0.2373(7) 0.47964(13) 0.0325(17) Uani 1 1 d . U . . .
H18 H -0.0382 0.1853 0.4838 0.039 Uiso 1 1 calc R U . . .
C164 C 0.0069(4) 0.2409(6) 0.46739(12) 0.0296(15) Uani 1 1 d . U . . .
C165 C 0.0292(4) 0.1797(7) 0.45920(13) 0.0341(14) Uani 1 1 d . U . . .
C166 C 0.0639(4) 0.2019(7) 0.44904(14) 0.0354(15) Uani 1 1 d . U . . .
C167 C 0.0964(4) 0.1436(7) 0.44178(14) 0.0412(18) Uani 1 1 d . U . . .
H19 H 0.0982 0.0824 0.4435 0.049 Uiso 1 1 calc R U . . .
C168 C 0.1236(5) 0.1880(7) 0.43218(14) 0.0404(18) Uani 1 1 d . U . . .
H20 H 0.1442 0.1640 0.4249 0.048 Uiso 1 1 calc R U . . .
C169 C 0.1154(4) 0.2799(7) 0.43509(13) 0.0344(15) Uani 1 1 d . U . . .
C170 C 0.1382(4) 0.3470(7) 0.42867(13) 0.0340(15) Uani 1 1 d . U . . .
C171 C 0.1310(4) 0.4344(6) 0.43314(13) 0.0313(15) Uani 1 1 d . U . . .
C172 C 0.1599(4) 0.5044(7) 0.42927(13) 0.0335(17) Uani 1 1 d . U . . .
H21 H 0.1862 0.5035 0.4228 0.040 Uiso 1 1 calc R U . . .
C173 C 0.1416(4) 0.5772(7) 0.43711(13) 0.0344(17) Uani 1 1 d . U . . .
H22 H 0.1537 0.6353 0.4369 0.041 Uiso 1 1 calc R U . . .
C174 C 0.1005(4) 0.5475(6) 0.44565(12) 0.0298(15) Uani 1 1 d . U . . .
C175 C 0.0771(4) 0.6037(7) 0.45479(13) 0.0317(15) Uani 1 1 d . U . . .
C176 C 0.0430(4) 0.5685(7) 0.46344(12) 0.0311(15) Uani 1 1 d . U . . .
C177 C 0.0153(4) 0.6094(7) 0.47465(12) 0.0284(16) Uani 1 1 d . U . . .
H23 H 0.0159 0.6699 0.4772 0.034 Uiso 1 1 calc R U . . .
C178 C -0.0138(4) 0.5448(6) 0.48159(12) 0.0290(16) Uani 1 1 d . U . . .
H24 H -0.0363 0.5531 0.4893 0.035 Uiso 1 1 calc R U . . .
C179 C -0.0009(4) 0.4630(6) 0.47400(11) 0.0262(14) Uani 1 1 d . U . . .
N17 N 0.0168(3) 0.3284(5) 0.46468(10) 0.0277(13) Uani 1 1 d . U . . .
N18 N 0.0774(3) 0.2873(5) 0.44540(10) 0.0299(13) Uani 1 1 d . U . . .
N19 N 0.0956(3) 0.4602(5) 0.44328(10) 0.0267(13) Uani 1 1 d . U . . .
N20 N 0.0320(3) 0.4827(5) 0.46301(10) 0.0282(13) Uani 1 1 d . U . . .
Si5 Si 0.04509(10) 0.38980(17) 0.44958(3) 0.0260(6) Uani 1 1 d . U . . .
O15 O 0.0009(3) 0.3952(4) 0.43387(8) 0.0303(13) Uani 1 1 d . U . . .
Si6 Si -0.05319(11) 0.41718(18) 0.42378(3) 0.0300(6) Uani 1 1 d . U . . .
C180 C -0.1012(4) 0.5042(6) 0.44766(12) 0.0304(15) Uani 1 1 d . U . . .
C181 C -0.1216(4) 0.4970(7) 0.46065(13) 0.0319(17) Uani 1 1 d . U . . .
H25 H -0.1263 0.5419 0.4682 0.038 Uiso 1 1 calc R U . . .
C182 C -0.1364(4) 0.4059(7) 0.46147(13) 0.0334(17) Uani 1 1 d . U . . .
H26 H -0.1549 0.3792 0.4691 0.040 Uiso 1 1 calc R U . . .
C183 C -0.1187(4) 0.3702(7) 0.44950(13) 0.0334(15) Uani 1 1 d . U . . .
C184 C -0.1266(5) 0.2814(8) 0.44291(15) 0.0437(17) Uani 1 1 d . U . . .
C185 C -0.1090(5) 0.2580(7) 0.42770(14) 0.0406(16) Uani 1 1 d . U . . .
C186 C -0.1225(5) 0.1780(8) 0.42016(14) 0.0444(19) Uani 1 1 d . U . . .
H27 H -0.1428 0.1335 0.4238 0.053 Uiso 1 1 calc R U . . .
C187 C -0.0991(5) 0.1788(8) 0.40609(15) 0.0462(19) Uani 1 1 d . U . . .
H28 H -0.0987 0.1308 0.3988 0.055 Uiso 1 1 calc R U . . .
C188 C -0.0766(5) 0.2586(8) 0.40414(14) 0.0411(16) Uani 1 1 d . U . . .
C189 C -0.0527(5) 0.2872(8) 0.39190(14) 0.0419(16) Uani 1 1 d . U . . .
C190 C -0.0359(4) 0.3697(7) 0.39122(13) 0.0331(15) Uani 1 1 d . U . . .
C191 C -0.0067(4) 0.4069(7) 0.37851(13) 0.0351(17) Uani 1 1 d . U . . .
H29 H 0.0049 0.3756 0.3698 0.042 Uiso 1 1 calc R U . . .
C192 C -0.0002(4) 0.4912(7) 0.38162(13) 0.0350(17) Uani 1 1 d . U . . .
H30 H 0.0131 0.5325 0.3748 0.042 Uiso 1 1 calc R U . . .
C193 C -0.0167(4) 0.5094(7) 0.39710(13) 0.0318(15) Uani 1 1 d . U . . .
C194 C -0.0141(4) 0.5916(7) 0.40439(13) 0.0330(15) Uani 1 1 d . U . . .
C195 C -0.0371(4) 0.6052(7) 0.41849(13) 0.0310(15) Uani 1 1 d . U . . .
C196 C -0.0465(4) 0.6831(7) 0.42701(13) 0.0324(17) Uani 1 1 d . U . . .
H31 H -0.0377 0.7405 0.4242 0.039 Uiso 1 1 calc R U . . .
C197 C -0.0697(4) 0.6609(6) 0.43959(13) 0.0305(17) Uani 1 1 d . U . . .
H32 H -0.0792 0.6988 0.4477 0.037 Uiso 1 1 calc R U . . .
C198 C -0.0772(4) 0.5712(7) 0.43852(13) 0.0312(15) Uani 1 1 d . U . . .
N21 N -0.0941(3) 0.4248(5) 0.44018(10) 0.0300(13) Uani 1 1 d . U . . .
N22 N -0.0839(4) 0.3126(6) 0.41826(11) 0.0368(14) Uani 1 1 d . U . . .
N23 N -0.0369(3) 0.4361(6) 0.40274(10) 0.0317(14) Uani 1 1 d . U . . .
N24 N -0.0567(3) 0.5363(5) 0.42568(10) 0.0312(14) Uani 1 1 d . U . . .
C199 C 0.0164(9) 0.0818(9) 0.4603(2) 0.0378(16) Uani 0.471(9) 1 d G U P C 1
C200 C 0.0275(8) 0.0421(10) 0.47560(19) 0.0383(16) Uani 0.471(9) 1 d G U P C 1
C201 C 0.0163(7) -0.0456(10) 0.47741(18) 0.0402(16) Uani 0.471(9) 1 d G U P C 1
C202 C -0.0060(7) -0.0934(8) 0.4639(2) 0.0415(17) Uani 0.471(9) 1 d G U P C 1
C203 C -0.0171(7) -0.0536(10) 0.4487(2) 0.0427(18) Uani 0.471(9) 1 d G U P C 1
C204 C -0.0059(8) 0.0340(11) 0.44684(18) 0.0408(17) Uani 0.471(9) 1 d G U P C 1
F41 F 0.0493(6) 0.0795(10) 0.4883(2) 0.037(3) Uani 0.471(9) 1 d . U P C 1
F42 F 0.0253(6) -0.0941(10) 0.4908(2) 0.046(2) Uani 0.471(9) 1 d . U P C 1
F43 F -0.0200(6) -0.1784(9) 0.4647(2) 0.050(2) Uani 0.471(9) 1 d . U P C 1
F44 F -0.0335(6) -0.0946(10) 0.4339(2) 0.052(3) Uani 0.471(9) 1 d . U P C 1
F45 F -0.0053(6) 0.0649(12) 0.4337(2) 0.044(3) Uani 0.471(9) 1 d . U P C 1
C205 C 0.1765(4) 0.3254(7) 0.41742(13) 0.0332(15) Uani 1 1 d . U . . .
C206 C 0.1612(4) 0.3006(7) 0.40200(14) 0.0377(16) Uani 1 1 d . U . . .
C207 C 0.1968(4) 0.2722(8) 0.39201(15) 0.0429(19) Uani 1 1 d . U . . .
H137 H 0.1864 0.2530 0.3811 0.051 Uiso 1 1 calc R U . . .
C208 C 0.2453(4) 0.2732(8) 0.39841(14) 0.0414(17) Uani 1 1 d . U . . .
C209 C 0.2605(4) 0.3009(7) 0.41421(14) 0.0373(18) Uani 1 1 d . U . . .
H138 H 0.2953 0.3021 0.4184 0.045 Uiso 1 1 calc R U . . .
C210 C 0.2272(4) 0.3262(7) 0.42382(14) 0.0345(15) Uani 1 1 d . U . . .
O16 O 0.1125(3) 0.3028(5) 0.39595(10) 0.0429(16) Uani 1 1 d . U . . .
C211 C 0.0997(5) 0.2641(9) 0.38108(16) 0.053(3) Uani 1 1 d . U . . .
H101 H 0.0634 0.2690 0.3777 0.080 Uiso 1 1 calc R U . . .
H102 H 0.1172 0.2930 0.3729 0.080 Uiso 1 1 calc R U . . .
H103 H 0.1092 0.2024 0.3819 0.080 Uiso 1 1 calc R U . . .
O17 O 0.2793(3) 0.2500(5) 0.38788(10) 0.0464(17) Uani 1 1 d . U . . .
C212 C 0.3314(4) 0.2540(10) 0.39345(17) 0.058(3) Uani 1 1 d . U . . .
H104 H 0.3497 0.2356 0.3846 0.087 Uiso 1 1 calc R U . . .
H105 H 0.3407 0.3139 0.3967 0.087 Uiso 1 1 calc R U . . .
H106 H 0.3397 0.2152 0.4029 0.087 Uiso 1 1 calc R U . . .
O18 O 0.2392(3) 0.3493(5) 0.44015(9) 0.0360(15) Uani 1 1 d . U . . .
C213 C 0.2912(4) 0.3337(8) 0.44781(16) 0.049(3) Uani 1 1 d . U . . .
H107 H 0.2954 0.3525 0.4593 0.073 Uiso 1 1 calc R U . . .
H108 H 0.2988 0.2714 0.4473 0.073 Uiso 1 1 calc R U . . .
H109 H 0.3141 0.3669 0.4419 0.073 Uiso 1 1 calc R U . . .
C214 C 0.0932(4) 0.6983(7) 0.45750(14) 0.0325(15) Uani 1 1 d . U . . .
C215 C 0.0837(4) 0.7569(7) 0.44456(15) 0.0366(17) Uani 1 1 d . U . . .
C216 C 0.0981(4) 0.8467(7) 0.44756(15) 0.0399(18) Uani 1 1 d . U . . .
C217 C 0.1185(4) 0.8707(7) 0.46218(16) 0.0434(18) Uani 1 1 d . U . . .
C218 C 0.1248(4) 0.8126(7) 0.47604(15) 0.0387(17) Uani 1 1 d . U . . .
C219 C 0.1125(4) 0.7270(7) 0.47256(14) 0.0347(17) Uani 1 1 d . U . . .
F46 F 0.0680(3) 0.7337(4) 0.42960(8) 0.0448(16) Uani 1 1 d . U . . .
F47 F 0.0906(2) 0.9029(4) 0.43486(9) 0.0452(16) Uani 1 1 d . U . . .
F48 F 0.1303(3) 0.9580(4) 0.46542(10) 0.0591(19) Uani 1 1 d . U . . .
F49 F 0.1425(3) 0.8412(5) 0.49013(9) 0.0580(19) Uani 1 1 d . U . . .
F50 F 0.1190(2) 0.6735(4) 0.48570(8) 0.0448(15) Uani 1 1 d . U . . .
C220 C -0.1577(3) 0.2182(5) 0.45137(12) 0.0566(19) Uani 1 1 d G U . . .
C221 C -0.2060(3) 0.2407(6) 0.45374(14) 0.075(2) Uani 1 1 d G U . . .
C222 C -0.2321(3) 0.1882(7) 0.46334(16) 0.086(2) Uani 1 1 d G U . . .
C223 C -0.2099(4) 0.1131(6) 0.47056(15) 0.085(2) Uani 1 1 d G U . . .
C224 C -0.1616(4) 0.0906(5) 0.46819(13) 0.073(2) Uani 1 1 d G U . . .
C225 C -0.1354(3) 0.1432(6) 0.45859(13) 0.059(2) Uani 1 1 d G U . . .
F51 F -0.2295(3) 0.3095(6) 0.44672(15) 0.096(3) Uani 1 1 d . U . . .
F52 F -0.2818(3) 0.2091(7) 0.46303(17) 0.112(3) Uani 1 1 d . U . . .
F53 F -0.2356(5) 0.0606(7) 0.47967(16) 0.121(3) Uani 1 1 d . U . . .
F54 F -0.1407(4) 0.0187(5) 0.47520(12) 0.086(3) Uani 1 1 d . U . . .
F55 F -0.0893(2) 0.1159(4) 0.45675(9) 0.0510(17) Uani 1 1 d . U . . .
C226 C -0.0500(5) 0.2277(8) 0.37720(16) 0.0511(18) Uani 1 1 d . U . . .
C227 C -0.0754(5) 0.2464(9) 0.36176(16) 0.0553(19) Uani 1 1 d . U . . .
C228 C -0.0743(6) 0.1851(9) 0.34908(17) 0.060(2) Uani 1 1 d . U . . .
H139 H -0.0916 0.1983 0.3385 0.072 Uiso 1 1 calc R U . . .
C229 C -0.0506(6) 0.1115(10) 0.35130(18) 0.067(2) Uani 1 1 d . U . . .
C230 C -0.0215(6) 0.0924(10) 0.36654(17) 0.065(2) Uani 1 1 d . U . . .
H140 H -0.0009 0.0418 0.3679 0.078 Uiso 1 1 calc R U . . .
C231 C -0.0236(6) 0.1506(9) 0.37980(17) 0.0605(19) Uani 1 1 d . U . . .
O19 O -0.1031(4) 0.3195(6) 0.36029(11) 0.0577(19) Uani 1 1 d . U . . .
C232 C -0.1297(5) 0.3402(10) 0.34391(17) 0.063(3) Uani 1 1 d . U . . .
H110 H -0.1484 0.3946 0.3444 0.094 Uiso 1 1 calc R U . . .
H111 H -0.1055 0.3469 0.3362 0.094 Uiso 1 1 calc R U . . .
H112 H -0.1530 0.2928 0.3402 0.094 Uiso 1 1 calc R U . . .
O20 O -0.0536(4) 0.0577(7) 0.33717(13) 0.077(2) Uani 1 1 d . U . . .
C233 C -0.0333(6) -0.0232(9) 0.3409(2) 0.073(4) Uani 1 1 d . U . . .
H113 H -0.0360 -0.0585 0.3309 0.110 Uiso 1 1 calc R U . . .
H114 H 0.0021 -0.0169 0.3456 0.110 Uiso 1 1 calc R U . . .
H115 H -0.0515 -0.0518 0.3489 0.110 Uiso 1 1 calc R U . . .
O21 O 0.0043(4) 0.1399(6) 0.39527(11) 0.066(2) Uani 1 1 d . U . . .
C234 C 0.0368(7) 0.0652(10) 0.3987(2) 0.079(4) Uani 1 1 d . U . . .
H116 H 0.0535 0.0678 0.4101 0.118 Uiso 1 1 calc R U . . .
H117 H 0.0169 0.0116 0.3970 0.118 Uiso 1 1 calc R U . . .
H118 H 0.0621 0.0654 0.3913 0.118 Uiso 1 1 calc R U . . .
C235 C 0.0096(3) 0.6678(4) 0.39625(10) 0.0398(16) Uani 1 1 d G U . . .
C236 C -0.0187(2) 0.7407(5) 0.39083(11) 0.0444(18) Uani 1 1 d G U . . .
C237 C 0.0041(3) 0.8118(4) 0.38446(11) 0.056(2) Uani 1 1 d G U . . .
C238 C 0.0551(3) 0.8098(5) 0.38351(12) 0.062(2) Uani 1 1 d G U . . .
C239 C 0.0834(2) 0.7368(6) 0.38892(12) 0.059(2) Uani 1 1 d G U . . .
C240 C 0.0606(3) 0.6658(5) 0.39529(11) 0.0487(19) Uani 1 1 d G U . . .
F56 F -0.0661(2) 0.7439(4) 0.39067(9) 0.0451(16) Uani 1 1 d . U . . .
F57 F -0.0227(3) 0.8807(5) 0.37906(11) 0.073(2) Uani 1 1 d . U . . .
F58 F 0.0784(4) 0.8763(6) 0.37804(13) 0.088(3) Uani 1 1 d . U . . .
F59 F 0.1336(3) 0.7376(7) 0.38834(12) 0.089(3) Uani 1 1 d . U . . .
F60 F 0.0887(2) 0.5992(5) 0.40099(9) 0.0544(18) Uani 1 1 d . U . . .
C241 C 0.6235(4) -0.3103(7) 0.26268(13) 0.0326(15) Uani 1 1 d . U . . .
C242 C 0.6316(4) -0.3237(7) 0.24622(13) 0.0370(18) Uani 1 1 d . U . . .
H33 H 0.6395 -0.2802 0.2388 0.044 Uiso 1 1 calc R U . . .
C243 C 0.6257(4) -0.4114(7) 0.24298(14) 0.0370(18) Uani 1 1 d . U . . .
H34 H 0.6330 -0.4407 0.2334 0.044 Uiso 1 1 calc R U . . .
C244 C 0.6065(4) -0.4508(7) 0.25673(13) 0.0332(15) Uani 1 1 d . U . . .
C245 C 0.5890(4) -0.5333(7) 0.25917(13) 0.0361(16) Uani 1 1 d . U . . .
C246 C 0.5693(4) -0.5510(7) 0.27447(13) 0.0321(15) Uani 1 1 d . U . . .
C247 C 0.5438(4) -0.6284(7) 0.27744(13) 0.0318(17) Uani 1 1 d . U . . .
H35 H 0.5385 -0.6772 0.2703 0.038 Uiso 1 1 calc R U . . .
C248 C 0.5289(4) -0.6211(7) 0.29187(12) 0.0312(17) Uani 1 1 d . U . . .
H36 H 0.5112 -0.6636 0.2972 0.037 Uiso 1 1 calc R U . . .
C249 C 0.5445(4) -0.5358(6) 0.29808(12) 0.0268(15) Uani 1 1 d . U . . .
C250 C 0.5271(4) -0.4993(6) 0.31303(12) 0.0279(15) Uani 1 1 d . U . . .
C251 C 0.5414(3) -0.4157(6) 0.31709(12) 0.0266(14) Uani 1 1 d . U . . .
C252 C 0.5218(4) -0.3742(6) 0.32948(14) 0.0319(17) Uani 1 1 d . U . . .
H37 H 0.4986 -0.3983 0.3359 0.038 Uiso 1 1 calc R U . . .
C253 C 0.5427(4) -0.2879(6) 0.33108(13) 0.0308(17) Uani 1 1 d . U . . .
H38 H 0.5404 -0.2460 0.3394 0.037 Uiso 1 1 calc R U . . .
C254 C 0.5670(4) -0.2811(7) 0.31738(13) 0.0318(15) Uani 1 1 d . U . . .
C255 C 0.5913(4) -0.2023(7) 0.31299(14) 0.0338(15) Uani 1 1 d . U . . .
C256 C 0.6096(4) -0.1981(6) 0.29757(13) 0.0316(15) Uani 1 1 d . U . . .
C257 C 0.6221(4) -0.1232(7) 0.28882(14) 0.0345(17) Uani 1 1 d . U . . .
H39 H 0.6209 -0.0642 0.2923 0.041 Uiso 1 1 calc R U . . .
C258 C 0.6365(4) -0.1532(7) 0.27416(14) 0.0351(17) Uani 1 1 d . U . . .
H40 H 0.6527 -0.1217 0.2665 0.042 Uiso 1 1 calc R U . . .
C259 C 0.6213(4) -0.2412(7) 0.27342(13) 0.0326(15) Uani 1 1 d . U . . .
N25 N 0.6088(3) -0.3851(5) 0.26925(10) 0.0318(14) Uani 1 1 d . U . . .
N26 N 0.5678(3) -0.4920(5) 0.28758(10) 0.0278(13) Uani 1 1 d . U . . .
N27 N 0.5664(3) -0.3590(5) 0.30839(10) 0.0270(13) Uani 1 1 d . U . . .
N28 N 0.6055(3) -0.2664(5) 0.28796(10) 0.0275(13) Uani 1 1 d . U . . .
Si7 Si 0.60023(10) -0.38602(18) 0.29112(3) 0.0282(6) Uani 1 1 d . U . . .
O22 O 0.6559(2) -0.4071(4) 0.30073(7) 0.0222(12) Uani 1 1 d . U . . .
Si8 Si 0.71720(10) -0.41177(16) 0.30321(3) 0.0224(5) Uani 1 1 d . U . . .
C260 C 0.7436(4) -0.3463(7) 0.27371(13) 0.0347(16) Uani 1 1 d . U . . .
C261 C 0.7536(4) -0.2732(7) 0.26483(14) 0.0398(18) Uani 1 1 d . U . . .
H41 H 0.7546 -0.2685 0.2534 0.048 Uiso 1 1 calc R U . . .
C262 C 0.7616(4) -0.2092(7) 0.27665(13) 0.0373(18) Uani 1 1 d . U . . .
H42 H 0.7738 -0.1526 0.2747 0.045 Uiso 1 1 calc R U . . .
C263 C 0.7498(4) -0.2369(6) 0.29174(13) 0.0328(15) Uani 1 1 d . U . . .
C264 C 0.7511(4) -0.1983(6) 0.30671(13) 0.0317(15) Uani 1 1 d . U . . .
C265 C 0.7482(4) -0.2487(6) 0.32086(12) 0.0244(14) Uani 1 1 d . U . . .
C266 C 0.7553(4) -0.2156(6) 0.33706(12) 0.0258(16) Uani 1 1 d . U . . .
H43 H 0.7620 -0.1566 0.3401 0.031 Uiso 1 1 calc R U . . .
C267 C 0.7509(3) -0.2833(6) 0.34767(12) 0.0246(16) Uani 1 1 d . U . . .
H44 H 0.7541 -0.2809 0.3593 0.030 Uiso 1 1 calc R U . . .
C268 C 0.7403(3) -0.3574(6) 0.33748(11) 0.0201(14) Uani 1 1 d . U . . .
C269 C 0.7382(3) -0.4454(6) 0.34366(11) 0.0208(14) Uani 1 1 d . U . . .
C270 C 0.7327(3) -0.5131(6) 0.33309(12) 0.0228(14) Uani 1 1 d . U . . .
C271 C 0.7330(3) -0.6071(6) 0.33878(12) 0.0237(16) Uani 1 1 d . U . . .
H45 H 0.7341 -0.6280 0.3497 0.028 Uiso 1 1 calc R U . . .
C272 C 0.7316(4) -0.6543(6) 0.32499(12) 0.0262(16) Uani 1 1 d . U . . .
H46 H 0.7323 -0.7162 0.3247 0.031 Uiso 1 1 calc R U . . .
C273 C 0.7287(4) -0.5977(6) 0.31040(12) 0.0275(15) Uani 1 1 d . U . . .
C274 C 0.7248(4) -0.6262(6) 0.29458(13) 0.0308(15) Uani 1 1 d . U . . .
C275 C 0.7272(4) -0.5696(7) 0.28235(13) 0.0349(15) Uani 1 1 d . U . . .
C276 C 0.7373(4) -0.5830(7) 0.26629(13) 0.0372(18) Uani 1 1 d . U . . .
H47 H 0.7409 -0.6378 0.2612 0.045 Uiso 1 1 calc R U . . .
C277 C 0.7411(4) -0.5001(7) 0.25901(14) 0.0381(18) Uani 1 1 d . U . . .
H48 H 0.7439 -0.4876 0.2479 0.046 Uiso 1 1 calc R U . . .
C278 C 0.7399(4) -0.4403(7) 0.27197(13) 0.0352(16) Uani 1 1 d . U . . .
N29 N 0.7378(3) -0.3268(5) 0.28988(10) 0.0280(13) Uani 1 1 d . U . . .
N30 N 0.7385(3) -0.3394(5) 0.32084(9) 0.0204(12) Uani 1 1 d . U . . .
N31 N 0.7284(3) -0.5081(5) 0.31610(10) 0.0251(13) Uani 1 1 d . U . . .
N32 N 0.7336(3) -0.4802(5) 0.28589(10) 0.0309(14) Uani 1 1 d . U . . .
C279 C 0.5909(5) -0.1246(7) 0.32355(14) 0.0408(17) Uani 1 1 d . U . . .
C280 C 0.6207(5) -0.1261(7) 0.33893(15) 0.0460(18) Uani 1 1 d . U . . .
C281 C 0.6334(5) -0.0578(8) 0.34908(16) 0.0510(19) Uani 1 1 d . U . . .
C282 C 0.6129(6) 0.0203(8) 0.34191(17) 0.056(2) Uani 1 1 d . U . . .
C283 C 0.5869(6) 0.0282(8) 0.32838(17) 0.054(2) Uani 1 1 d . U . . .
C284 C 0.5721(5) -0.0447(7) 0.31757(16) 0.0470(19) Uani 1 1 d . U . . .
F61 F 0.6408(3) -0.2043(4) 0.34564(8) 0.0516(17) Uani 1 1 d . U . . .
F62 F 0.6571(4) -0.0641(5) 0.36348(10) 0.075(2) Uani 1 1 d . U . . .
F63 F 0.6171(4) 0.0984(5) 0.35231(11) 0.092(3) Uani 1 1 d . U . . .
F64 F 0.5646(4) 0.1073(4) 0.32237(11) 0.076(2) Uani 1 1 d . U . . .
F65 F 0.5428(3) -0.0371(4) 0.30358(9) 0.0557(18) Uani 1 1 d . U . . .
C285 C 0.5030(4) -0.5576(6) 0.32311(13) 0.0294(15) Uani 1 1 d . U . . .
C286 C 0.4493(4) -0.5576(7) 0.32254(14) 0.0361(16) Uani 1 1 d . U . . .
C287 C 0.4255(4) -0.6137(7) 0.33101(14) 0.0359(18) Uani 1 1 d . U . . .
H141 H 0.3899 -0.6117 0.3300 0.043 Uiso 1 1 calc R U . . .
C288 C 0.4510(4) -0.6738(7) 0.34109(14) 0.0343(16) Uani 1 1 d . U . . .
C289 C 0.5065(4) -0.6793(6) 0.34301(13) 0.0305(17) Uani 1 1 d . U . . .
H142 H 0.5256 -0.7204 0.3500 0.037 Uiso 1 1 calc R U . . .
C290 C 0.5278(3) -0.6181(6) 0.33358(12) 0.0258(14) Uani 1 1 d . U . . .
O23 O 0.4247(3) -0.4974(5) 0.31107(10) 0.0425(16) Uani 1 1 d . U . . .
C291 C 0.3690(4) -0.4998(8) 0.30739(17) 0.051(3) Uani 1 1 d . U . . .
H119 H 0.3574 -0.4547 0.2993 0.077 Uiso 1 1 calc R U . . .
H120 H 0.3583 -0.5572 0.3030 0.077 Uiso 1 1 calc R U . . .
H121 H 0.3548 -0.4892 0.3175 0.077 Uiso 1 1 calc R U . . .
O24 O 0.4321(3) -0.7348(5) 0.35087(9) 0.0361(15) Uani 1 1 d . U . . .
C292 C 0.3795(4) -0.7418(7) 0.34785(15) 0.038(2) Uani 1 1 d . U . . .
H122 H 0.3684 -0.7860 0.3551 0.057 Uiso 1 1 calc R U . . .
H123 H 0.3645 -0.6854 0.3499 0.057 Uiso 1 1 calc R U . . .
H124 H 0.3689 -0.7589 0.3364 0.057 Uiso 1 1 calc R U . . .
O25 O 0.5783(2) -0.6157(4) 0.33412(8) 0.0283(13) Uani 1 1 d . U . . .
C293 C 0.6070(4) -0.6836(7) 0.34332(15) 0.037(2) Uani 1 1 d . U . . .
H125 H 0.6427 -0.6749 0.3428 0.055 Uiso 1 1 calc R U . . .
H126 H 0.6012 -0.6815 0.3548 0.055 Uiso 1 1 calc R U . . .
H127 H 0.5965 -0.7405 0.3386 0.055 Uiso 1 1 calc R U . . .
C294 C 0.5872(5) -0.5995(8) 0.24581(14) 0.0422(17) Uani 1 1 d . U . . .
C295 C 0.5606(5) -0.5812(9) 0.23058(15) 0.0492(19) Uani 1 1 d . U . . .
C296 C 0.5577(5) -0.6443(9) 0.21809(15) 0.052(2) Uani 1 1 d . U . . .
C297 C 0.5823(5) -0.7202(9) 0.22009(16) 0.055(2) Uani 1 1 d . U . . .
C298 C 0.6093(5) -0.7386(9) 0.23538(16) 0.0501(19) Uani 1 1 d . U . . .
C299 C 0.6123(5) -0.6774(8) 0.24784(15) 0.0451(18) Uani 1 1 d . U . . .
F66 F 0.5336(3) -0.5102(5) 0.22757(9) 0.0590(19) Uani 1 1 d . U . . .
F67 F 0.5308(3) -0.6249(6) 0.20337(9) 0.071(2) Uani 1 1 d . U . . .
F68 F 0.5805(3) -0.7762(5) 0.20775(9) 0.067(2) Uani 1 1 d . U . . .
F69 F 0.6362(3) -0.8118(5) 0.23737(11) 0.065(2) Uani 1 1 d . U . . .
F70 F 0.6399(3) -0.6971(4) 0.26223(8) 0.0503(17) Uani 1 1 d . U . . .
C300 C 0.7710(5) -0.1044(7) 0.30943(14) 0.0399(17) Uani 1 1 d . U . . .
C301 C 0.8170(5) -0.0857(7) 0.30580(15) 0.0481(19) Uani 1 1 d . U . . .
C302 C 0.8392(6) 0.0014(8) 0.30744(16) 0.056(2) Uani 1 1 d . U . . .
C303 C 0.8072(6) 0.0636(8) 0.31368(16) 0.055(2) Uani 1 1 d . U . . .
C304 C 0.7639(5) 0.0438(7) 0.31805(15) 0.051(2) Uani 1 1 d . U . . .
C305 C 0.7445(5) -0.0429(7) 0.31578(15) 0.0448(19) Uani 1 1 d . U . . .
F71 F 0.8492(3) -0.1432(4) 0.30007(9) 0.0546(18) Uani 1 1 d . U . . .
F72 F 0.8824(4) 0.0205(5) 0.30308(10) 0.080(2) Uani 1 1 d . U . . .
F73 F 0.8260(3) 0.1456(4) 0.31571(10) 0.071(2) Uani 1 1 d . U . . .
F74 F 0.7315(3) 0.1018(4) 0.32421(8) 0.0583(19) Uani 1 1 d . U . . .
F75 F 0.6973(3) -0.0566(4) 0.31973(8) 0.0447(16) Uani 1 1 d . U . . .
C306 C 0.7416(3) -0.4581(6) 0.36130(11) 0.0220(14) Uani 1 1 d . U . . .
C307 C 0.7903(4) -0.4704(6) 0.37072(11) 0.0236(14) Uani 1 1 d . U . . .
C308 C 0.7934(4) -0.4923(6) 0.38739(12) 0.0270(16) Uani 1 1 d . U . . .
H143 H 0.8253 -0.4971 0.3940 0.032 Uiso 1 1 calc R U . . .
C309 C 0.7505(4) -0.5068(6) 0.39414(12) 0.0284(15) Uani 1 1 d . U . . .
C310 C 0.7064(4) -0.4981(6) 0.38582(11) 0.0247(16) Uani 1 1 d . U . . .
H144 H 0.6776 -0.5082 0.3910 0.030 Uiso 1 1 calc R U . . .
C311 C 0.7008(3) -0.4737(6) 0.36916(11) 0.0226(14) Uani 1 1 d . U . . .
O26 O 0.8297(3) -0.4555(5) 0.36233(8) 0.0322(14) Uani 1 1 d . U . . .
C312 C 0.8822(5) -0.4703(9) 0.37038(15) 0.049(3) Uani 1 1 d . U . . .
H128 H 0.9054 -0.4565 0.3626 0.074 Uiso 1 1 calc R U . . .
H129 H 0.8893 -0.4326 0.3801 0.074 Uiso 1 1 calc R U . . .
H130 H 0.8863 -0.5314 0.3738 0.074 Uiso 1 1 calc R U . . .
O27 O 0.7539(3) -0.5278(5) 0.41090(9) 0.0380(15) Uani 1 1 d . U . . .
C313 C 0.8033(5) -0.5379(9) 0.41994(14) 0.052(3) Uani 1 1 d . U . . .
H131 H 0.8007 -0.5524 0.4314 0.079 Uiso 1 1 calc R U . . .
H132 H 0.8208 -0.5849 0.4151 0.079 Uiso 1 1 calc R U . . .
H133 H 0.8220 -0.4834 0.4196 0.079 Uiso 1 1 calc R U . . .
O28 O 0.6542(2) -0.4619(4) 0.35928(8) 0.0285(14) Uani 1 1 d . U . . .
C314 C 0.6109(3) -0.4827(7) 0.36630(13) 0.031(2) Uani 1 1 d . U . . .
H134 H 0.5810 -0.4718 0.3582 0.046 Uiso 1 1 calc R U . . .
H135 H 0.6119 -0.5443 0.3695 0.046 Uiso 1 1 calc R U . . .
H136 H 0.6097 -0.4463 0.3760 0.046 Uiso 1 1 calc R U . . .
C315 C 0.7171(4) -0.7219(6) 0.29132(13) 0.0312(15) Uani 1 1 d . U . . .
C316 C 0.6732(4) -0.7652(6) 0.29336(13) 0.0326(16) Uani 1 1 d . U . . .
C317 C 0.6693(5) -0.8533(7) 0.28964(14) 0.0381(17) Uani 1 1 d . U . . .
C318 C 0.7055(5) -0.8965(7) 0.28286(14) 0.0407(18) Uani 1 1 d . U . . .
C319 C 0.7473(5) -0.8553(7) 0.28041(14) 0.0375(17) Uani 1 1 d . U . . .
C320 C 0.7551(4) -0.7706(6) 0.28528(13) 0.0332(16) Uani 1 1 d . U . . .
F76 F 0.6393(2) -0.7240(3) 0.29981(8) 0.0369(14) Uani 1 1 d . U . . .
F77 F 0.6277(3) -0.8950(4) 0.29194(8) 0.0422(15) Uani 1 1 d . U . . .
F78 F 0.6986(3) -0.9819(4) 0.27884(9) 0.0585(19) Uani 1 1 d . U . . .
F79 F 0.7862(3) -0.9000(4) 0.27527(9) 0.0538(18) Uani 1 1 d . U . . .
F80 F 0.7991(3) -0.7298(4) 0.28338(8) 0.0449(16) Uani 1 1 d . U . . .
C375 C 0.0224(8) 0.0830(8) 0.4640(2) 0.0376(16) Uani 0.529(9) 1 d G U P C 2
C376 C -0.0013(7) 0.0266(10) 0.45211(16) 0.0402(16) Uani 0.529(9) 1 d G U P C 2
C377 C -0.0097(6) -0.0597(9) 0.45611(19) 0.0422(16) Uani 0.529(9) 1 d G U P C 2
C378 C 0.0057(6) -0.0895(7) 0.4720(2) 0.0418(18) Uani 0.529(9) 1 d G U P C 2
C379 C 0.0294(6) -0.0331(9) 0.48390(16) 0.0396(17) Uani 0.529(9) 1 d G U P C 2
C380 C 0.0378(7) 0.0532(9) 0.47990(18) 0.0384(17) Uani 0.529(9) 1 d G U P C 2
F88 F 0.0000(5) -0.1706(8) 0.47441(19) 0.047(2) Uani 0.529(9) 1 d . U P C 2
F90 F 0.0637(6) 0.1065(9) 0.49201(19) 0.042(3) Uani 0.529(9) 1 d . U P C 2
F89 F 0.0456(5) -0.0657(8) 0.49783(17) 0.038(2) Uani 0.529(9) 1 d . U P C 2
F87 F -0.0266(5) -0.1115(9) 0.4440(2) 0.052(2) Uani 0.529(9) 1 d . U P C 2
F86 F -0.0247(6) 0.0559(11) 0.4354(2) 0.049(3) Uani 0.529(9) 1 d . U P C 2
C369 C 0.5279(8) 0.9155(8) 0.4645(2) 0.0362(16) Uani 0.425(7) 1 d G U P B 4
C370 C 0.5436(8) 0.9424(10) 0.4806(2) 0.0383(17) Uani 0.425(7) 1 d G U P B 4
C371 C 0.5364(8) 1.0282(11) 0.48508(19) 0.0406(18) Uani 0.425(7) 1 d G U P B 4
C372 C 0.5134(8) 1.0872(8) 0.4735(2) 0.0423(18) Uani 0.425(7) 1 d G U P B 4
C373 C 0.4977(8) 1.0603(10) 0.4575(2) 0.0417(16) Uani 0.425(7) 1 d G U P B 4
C374 C 0.5049(8) 0.9745(11) 0.45294(18) 0.0385(16) Uani 0.425(7) 1 d G U P B 4
F82 F 0.5559(6) 1.0509(10) 0.5015(2) 0.048(3) Uani 0.425(7) 1 d . U P B 4
F85 F 0.4866(7) 0.9515(11) 0.4383(2) 0.036(3) Uani 0.425(7) 1 d . U P B 4
F83 F 0.5074(6) 1.1714(9) 0.4796(2) 0.048(2) Uani 0.425(7) 1 d . U P B 4
F84 F 0.4726(7) 1.1201(10) 0.4478(2) 0.051(2) Uani 0.425(7) 1 d . U P B 4
F81 F 0.5657(7) 0.8907(11) 0.4916(2) 0.038(3) Uani 0.425(7) 1 d . U P B 4
F91 F 0.4989(6) 0.1247(8) 0.38029(17) 0.036(2) Uani 0.460(7) 1 d . U P A 6
F93 F 0.6424(5) 0.2997(10) 0.39102(19) 0.040(3) Uani 0.460(7) 1 d . U P A 6
F95 F 0.4470(6) 0.2534(10) 0.3908(2) 0.030(2) Uani 0.460(7) 1 d . U P A 6
F92 F 0.6002(6) 0.1428(9) 0.38153(18) 0.043(2) Uani 0.460(7) 1 d . U P A 6
F94 F 0.5893(8) 0.4298(11) 0.4016(3) 0.036(3) Uani 0.460(7) 1 d . U P A 6
C381 C 0.5649(6) 0.3571(9) 0.3969(3) 0.0313(16) Uani 0.460(7) 1 d G U P A 6
C382 C 0.5942(5) 0.2912(10) 0.3916(2) 0.0329(17) Uani 0.460(7) 1 d G U P A 6
C383 C 0.5723(6) 0.2124(9) 0.3861(2) 0.0338(17) Uani 0.460(7) 1 d G U P A 6
C384 C 0.5212(6) 0.1995(8) 0.3859(2) 0.0326(15) Uani 0.460(7) 1 d G U P A 6
C385 C 0.4919(5) 0.2654(11) 0.3911(3) 0.0304(16) Uani 0.460(7) 1 d G U P A 6
C386 C 0.5137(6) 0.3442(10) 0.3966(3) 0.0291(15) Uani 0.460(7) 1 d G U P A 6


_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 C19 1.382(15) . ?
C1 C2 1.408(15) . ?
C1 N1 1.426(13) . ?
C2 C3 1.418(14) . ?
C2 H1 0.9500 . ?
C3 C4 1.405(15) . ?
C3 H2 0.9500 . ?
C4 N1 1.349(13) . ?
C4 C5 1.414(15) . ?
C5 C6 1.288(15) . ?
C5 C39 1.487(15) . ?
C6 C7 1.459(14) . ?
C6 N2 1.462(13) . ?
C7 C8 1.340(15) . ?
C7 H3 0.9500 . ?
C8 C9 1.401(14) . ?
C8 H4 0.9500 . ?
C9 C10 1.296(15) . ?
C9 N2 1.503(13) . ?
C10 C11 1.378(15) . ?
C10 C45 1.571(14) . ?
C11 C12 1.449(15) . ?
C11 N3 1.458(14) . ?
C12 C13 1.282(15) . ?
C12 H5 0.9500 . ?
C13 C14 1.491(15) . ?
C13 H6 0.9500 . ?
C14 C15 1.388(15) . ?
C14 N3 1.400(13) . ?
C15 C16 1.345(16) . ?
C15 C54 1.478(16) . ?
C16 N4 1.445(13) . ?
C16 C17 1.454(15) . ?
C17 C18 1.352(16) . ?
C17 H7 0.9500 . ?
C18 C19 1.405(14) . ?
C18 H8 0.9500 . ?
C19 N4 1.407(14) . ?
N1 Si1 1.851(9) . ?
N2 Si1 1.832(9) . ?
N3 Si1 1.860(9) . ?
Si1 O1 1.639(8) . ?
Si1 N4 1.791(9) . ?
O1 Si2 1.614(7) . ?
Si2 N8 1.833(8) . ?
Si2 N6 1.853(9) . ?
Si2 N5 1.856(8) . ?
Si2 N7 1.862(8) . ?
C20 C38 1.363(14) . ?
C20 N5 1.373(13) . ?
C20 C21 1.441(13) . ?
C21 C22 1.339(14) . ?
C21 H9 0.9500 . ?
C22 C23 1.447(14) . ?
C22 H10 0.9500 . ?
C23 N5 1.362(12) . ?
C23 C24 1.430(14) . ?
C24 C25 1.380(15) . ?
C24 C60 1.449(14) . ?
C25 N6 1.422(13) . ?
C25 C26 1.451(15) . ?
C26 C27 1.341(15) . ?
C26 H11 0.9500 . ?
C27 C28 1.426(14) . ?
C27 H12 0.9500 . ?
C28 C29 1.303(15) . ?
C28 N6 1.435(13) . ?
C29 C30 1.453(14) . ?
C29 C66 1.491(15) . ?
C30 C31 1.291(15) . ?
C30 N7 1.410(13) . ?
C31 C32 1.389(15) . ?
C31 H13 0.9500 . ?
C32 C33 1.388(14) . ?
C32 H14 0.9500 . ?
C33 C34 1.365(15) . ?
C33 N7 1.396(13) . ?
C34 C35 1.454(14) . ?
C34 C75 1.486(14) . ?
C35 N8 1.365(12) . ?
C35 C36 1.441(15) . ?
C36 C37 1.352(14) . ?
C36 H15 0.9500 . ?
C37 C38 1.386(14) . ?
C37 H16 0.9500 . ?
C38 N8 1.422(12) . ?
C39 C40 1.408(16) . ?
C39 C44 1.416(16) . ?
C40 F1 1.354(13) . ?
C40 C41 1.373(16) . ?
C41 C42 1.321(18) . ?
C41 F2 1.366(13) . ?
C42 F3 1.386(13) . ?
C42 C43 1.396(18) . ?
C43 F4 1.317(14) . ?
C43 C44 1.395(16) . ?
C44 F5 1.350(13) . ?
C45 C50 1.355(16) . ?
C45 C46 1.435(16) . ?
C46 C47 1.363(16) . ?
C46 O2 1.397(14) . ?
C47 C48 1.276(17) . ?
C47 H149 0.9500 . ?
C48 O3 1.366(14) . ?
C48 C49 1.418(18) . ?
C49 C50 1.433(15) . ?
C49 H150 0.9500 . ?
C50 O4 1.333(14) . ?
O2 C51 1.358(14) . ?
C51 H65 0.9800 . ?
C51 H66 0.9800 . ?
C51 H67 0.9800 . ?
O3 C52 1.477(15) . ?
C52 H68 0.9800 . ?
C52 H69 0.9800 . ?
C52 H70 0.9800 . ?
O4 C53 1.383(15) . ?
C53 H71 0.9800 . ?
C53 H72 0.9800 . ?
C53 H73 0.9800 . ?
C54 C59 1.372(18) . ?
C54 C55 1.405(16) . ?
C55 C56 1.308(18) . ?
C55 F6 1.373(16) . ?
C56 F7 1.327(15) . ?
C56 C57 1.52(2) . ?
C57 C58 1.29(2) . ?
C57 F8 1.316(16) . ?
C58 C59 1.393(18) . ?
C58 F9 1.458(17) . ?
C59 F10 1.336(14) . ?
C60 C65 1.409(14) . ?
C60 C61 1.444(15) . ?
C61 F11 1.323(13) . ?
C61 C62 1.329(16) . ?
C62 C63 1.310(17) . ?
C62 F12 1.427(13) . ?
C63 F13 1.347(13) . ?
C63 C64 1.433(17) . ?
C64 F14 1.318(13) . ?
C64 C65 1.336(15) . ?
C65 F15 1.337(13) . ?
C66 C67 1.364(15) . ?
C66 C71 1.455(15) . ?
C67 O5 1.382(12) . ?
C67 C68 1.386(15) . ?
C68 C69 1.391(14) . ?
C68 H151 0.9500 . ?
C69 O6 1.319(13) . ?
C69 C70 1.484(15) . ?
C70 C71 1.355(16) . ?
C70 H152 0.9500 . ?
C71 O7 1.308(13) . ?
O5 C72 1.402(11) . ?
C72 H74 0.9800 . ?
C72 H75 0.9800 . ?
C72 H76 0.9800 . ?
O6 C73 1.418(12) . ?
C73 H77 0.9800 . ?
C73 H78 0.9800 . ?
C73 H79 0.9800 . ?
O7 C74 1.450(13) . ?
C74 H80 0.9800 . ?
C74 H81 0.9800 . ?
C74 H82 0.9800 . ?
C75 C76 1.360(15) . ?
C75 C80 1.382(16) . ?
C76 F16 1.378(12) . ?
C76 C77 1.398(14) . ?
C77 F17 1.367(13) . ?
C77 C78 1.369(16) . ?
C78 F18 1.320(12) . ?
C78 C79 1.419(16) . ?
C79 F19 1.310(13) . ?
C79 C80 1.384(15) . ?
C80 F20 1.322(13) . ?
C81 C99 1.346(13) . ?
C81 N9 1.393(12) . ?
C81 C82 1.417(13) . ?
C82 C83 1.404(13) . ?
C82 H49 0.9500 . ?
C83 C84 1.413(13) . ?
C83 H50 0.9500 . ?
C84 N9 1.382(12) . ?
C84 C85 1.386(13) . ?
C85 C86 1.388(13) . ?
C85 C386 1.468(14) . ?
C85 C119 1.484(12) . ?
C86 C87 1.414(13) . ?
C86 N10 1.465(11) . ?
C87 C88 1.351(12) . ?
C87 H51 0.9500 . ?
C88 C89 1.354(14) . ?
C88 H52 0.9500 . ?
C89 C90 1.404(13) . ?
C89 N10 1.422(12) . ?
C90 C91 1.441(14) . ?
C90 C125 1.479(14) . ?
C91 N11 1.354(13) . ?
C91 C92 1.456(13) . ?
C92 C93 1.276(15) . ?
C92 H53 0.9500 . ?
C93 C94 1.446(14) . ?
C93 H54 0.9500 . ?
C94 C95 1.324(15) . ?
C94 N11 1.472(12) . ?
C95 C96 1.344(14) . ?
C95 C134 1.500(13) . ?
C96 N12 1.380(12) . ?
C96 C97 1.513(14) . ?
C97 C98 1.291(14) . ?
C97 H55 0.9500 . ?
C98 C99 1.503(12) . ?
C98 H56 0.9500 . ?
C99 N12 1.355(12) . ?
N9 Si3 1.864(8) . ?
N10 Si3 1.837(8) . ?
N11 Si3 1.848(8) . ?
N12 Si3 1.859(8) . ?
Si3 O8 1.627(7) . ?
O8 Si4 1.626(7) . ?
Si4 N14 1.826(8) . ?
Si4 N15 1.852(8) . ?
Si4 N13 1.858(8) . ?
Si4 N16 1.886(8) . ?
N13 C100 1.362(12) . ?
N13 C103 1.392(11) . ?
N14 C108 1.403(12) . ?
N14 C105 1.462(11) . ?
N15 C110 1.351(13) . ?
N15 C113 1.431(11) . ?
N16 C118 1.329(13) . ?
N16 C115 1.382(12) . ?
C100 C101 1.366(13) . ?
C100 C118 1.396(13) . ?
C101 C102 1.334(13) . ?
C101 H57 0.9500 . ?
C102 C103 1.440(13) . ?
C102 H58 0.9500 . ?
C103 C104 1.415(13) . ?
C104 C105 1.401(13) . ?
C104 C140 1.491(12) . ?
C105 C106 1.399(13) . ?
C106 C107 1.302(13) . ?
C106 H59 0.9500 . ?
C107 C108 1.448(12) . ?
C107 H60 0.9500 . ?
C108 C109 1.361(13) . ?
C109 C110 1.403(13) . ?
C109 C146 1.479(14) . ?
C110 C111 1.417(14) . ?
C111 C112 1.339(14) . ?
C111 H61 0.9500 . ?
C112 C113 1.375(15) . ?
C112 H62 0.9500 . ?
C113 C114 1.397(14) . ?
C114 C115 1.435(14) . ?
C114 C369 1.453(14) . ?
C114 C155 1.487(12) . ?
C115 C116 1.396(14) . ?
C116 C117 1.404(14) . ?
C116 H63 0.9500 . ?
C117 C118 1.443(12) . ?
C117 H64 0.9500 . ?
C119 C120 1.3900 . ?
C119 C124 1.3900 . ?
C120 F21 1.299(18) . ?
C120 C121 1.3900 . ?
C121 F22 1.283(16) . ?
C121 C122 1.3900 . ?
C122 F23 1.378(13) . ?
C122 C123 1.3900 . ?
C123 C124 1.3900 . ?
C123 F24 1.403(15) . ?
C124 F25 1.403(15) . ?
C125 C126 1.392(17) . ?
C125 C130 1.403(16) . ?
C126 C127 1.383(16) . ?
C126 O9 1.385(14) . ?
C127 C128 1.461(19) . ?
C127 H145 0.9500 . ?
C128 C129 1.310(19) . ?
C128 O10 1.397(15) . ?
C129 C130 1.405(15) . ?
C129 H146 0.9500 . ?
C130 O11 1.333(15) . ?
O9 C131 1.425(15) . ?
C131 H83 0.9800 . ?
C131 H84 0.9800 . ?
C131 H85 0.9800 . ?
O10 C132 1.341(18) . ?
C132 H86 0.9800 . ?
C132 H87 0.9800 . ?
C132 H88 0.9800 . ?
C133 O11 1.452(14) . ?
C133 H89 0.9800 . ?
C133 H90 0.9800 . ?
C133 H91 0.9800 . ?
C134 C139 1.354(17) . ?
C134 C135 1.390(17) . ?
C135 F26 1.333(15) . ?
C135 C136 1.399(17) . ?
C136 C137 1.27(2) . ?
C136 F27 1.334(17) . ?
C137 F28 1.360(15) . ?
C137 C138 1.38(2) . ?
C138 F29 1.331(17) . ?
C138 C139 1.379(16) . ?
C139 F30 1.312(14) . ?
C140 C145 1.385(15) . ?
C140 C141 1.398(14) . ?
C141 F31 1.343(12) . ?
C141 C142 1.409(14) . ?
C142 C143 1.321(16) . ?
C142 F32 1.421(12) . ?
C143 F33 1.306(11) . ?
C143 C144 1.402(15) . ?
C144 C145 1.332(14) . ?
C144 F34 1.361(13) . ?
C145 F35 1.405(12) . ?
C146 C151 1.384(16) . ?
C146 C147 1.449(15) . ?
C147 C148 1.348(15) . ?
C147 O12 1.406(14) . ?
C148 C149 1.442(17) . ?
C148 H147 0.9500 . ?
C149 O13 1.353(14) . ?
C149 C150 1.402(17) . ?
C150 C151 1.506(16) . ?
C150 H148 0.9500 . ?
C151 O14 1.314(13) . ?
O12 C152 1.474(12) . ?
C152 H92 0.9800 . ?
C152 H93 0.9800 . ?
C152 H94 0.9800 . ?
O13 C153 1.432(18) . ?
C153 H95 0.9800 . ?
C153 H96 0.9800 . ?
C153 H97 0.9800 . ?
O14 C154 1.362(15) . ?
C154 H98 0.9800 . ?
C154 H99 0.9800 . ?
C154 H100 0.9800 . ?
C155 C156 1.3900 . ?
C155 C160 1.3900 . ?
C156 F36 1.349(15) . ?
C156 C157 1.3900 . ?
C157 F37 1.314(15) . ?
C157 C158 1.3900 . ?
C158 F38 1.357(13) . ?
C158 C159 1.3900 . ?
C159 F39 1.344(15) . ?
C159 C160 1.3900 . ?
C160 F40 1.319(17) . ?
C161 C162 1.346(14) . ?
C161 C179 1.401(14) . ?
C161 N17 1.440(12) . ?
C162 C163 1.382(15) . ?
C162 H17 0.9500 . ?
C163 C164 1.430(14) . ?
C163 H18 0.9500 . ?
C164 C165 1.346(14) . ?
C164 N17 1.393(13) . ?
C165 C166 1.386(15) . ?
C165 C199 1.547(16) . ?
C165 C375 1.553(15) . ?
C166 N18 1.404(13) . ?
C166 C167 1.440(14) . ?
C167 C168 1.339(16) . ?
C167 H19 0.9500 . ?
C168 C169 1.453(14) . ?
C168 H20 0.9500 . ?
C169 C170 1.345(15) . ?
C169 N18 1.427(13) . ?
C170 C171 1.411(14) . ?
C170 C205 1.521(13) . ?
C171 C172 1.389(15) . ?
C171 N19 1.412(12) . ?
C172 C173 1.415(14) . ?
C172 H21 0.9500 . ?
C173 C174 1.468(15) . ?
C173 H22 0.9500 . ?
C174 N19 1.358(13) . ?
C174 C175 1.359(14) . ?
C175 C176 1.354(15) . ?
C175 C214 1.522(15) . ?
C176 N20 1.348(13) . ?
C176 C177 1.415(14) . ?
C177 C178 1.434(14) . ?
C177 H23 0.9500 . ?
C178 C179 1.466(13) . ?
C178 H24 0.9500 . ?
C179 N20 1.392(12) . ?
N17 Si5 1.814(8) . ?
N18 Si5 1.854(8) . ?
N19 Si5 1.870(9) . ?
N20 Si5 1.868(8) . ?
Si5 O15 1.626(7) . ?
O15 Si6 1.604(7) . ?
Si6 N22 1.831(10) . ?
Si6 N24 1.837(9) . ?
Si6 N21 1.868(9) . ?
Si6 N23 1.869(9) . ?
C180 C181 1.277(14) . ?
C180 N21 1.390(13) . ?
C180 C198 1.477(15) . ?
C181 C182 1.458(15) . ?
C181 H25 0.9500 . ?
C182 C183 1.280(15) . ?
C182 H26 0.9500 . ?
C183 N21 1.369(13) . ?
C183 C184 1.469(16) . ?
C184 C185 1.447(16) . ?
C184 C220 1.514(13) . ?
C185 N22 1.385(14) . ?
C185 C186 1.398(17) . ?
C186 C187 1.397(16) . ?
C186 H27 0.9500 . ?
C187 C188 1.386(17) . ?
C187 H28 0.9500 . ?
C188 C189 1.346(16) . ?
C188 N22 1.464(14) . ?
C189 C190 1.348(16) . ?
C189 C226 1.525(16) . ?
C190 N23 1.394(13) . ?
C190 C191 1.510(15) . ?
C191 C192 1.325(16) . ?
C191 H29 0.9500 . ?
C192 C193 1.437(14) . ?
C192 H30 0.9500 . ?
C193 N23 1.361(13) . ?
C193 C194 1.393(15) . ?
C194 C195 1.408(14) . ?
C194 C235 1.533(11) . ?
C195 N24 1.357(13) . ?
C195 C196 1.425(15) . ?
C196 C197 1.330(15) . ?
C196 H31 0.9500 . ?
C197 C198 1.392(15) . ?
C197 H32 0.9500 . ?
C198 N24 1.370(13) . ?
C199 C200 1.3900 . ?
C199 C204 1.3900 . ?
C200 F41 1.26(2) . ?
C200 C201 1.3900 . ?
C201 F42 1.324(19) . ?
C201 C202 1.3900 . ?
C202 F43 1.362(19) . ?
C202 C203 1.3900 . ?
C203 F44 1.38(2) . ?
C203 C204 1.3900 . ?
C204 F45 1.19(2) . ?
C205 C206 1.330(16) . ?
C205 C210 1.391(15) . ?
C206 O16 1.336(13) . ?
C206 C207 1.420(15) . ?
C207 C208 1.337(16) . ?
C207 H137 0.9500 . ?
C208 C209 1.371(16) . ?
C208 O17 1.396(12) . ?
C209 C210 1.339(14) . ?
C209 H138 0.9500 . ?
C210 O18 1.381(13) . ?
O16 C211 1.358(15) . ?
C211 H101 0.9800 . ?
C211 H102 0.9800 . ?
C211 H103 0.9800 . ?
O17 C212 1.413(14) . ?
C212 H104 0.9800 . ?
C212 H105 0.9800 . ?
C212 H106 0.9800 . ?
O18 C213 1.470(13) . ?
C213 H107 0.9800 . ?
C213 H108 0.9800 . ?
C213 H109 0.9800 . ?
C214 C219 1.345(16) . ?
C214 C215 1.387(15) . ?
C215 F46 1.291(13) . ?
C215 C216 1.442(16) . ?
C216 C217 1.301(17) . ?
C216 F47 1.346(13) . ?
C217 F48 1.393(13) . ?
C217 C218 1.436(17) . ?
C218 F49 1.266(14) . ?
C218 C219 1.375(16) . ?
C219 F50 1.347(12) . ?
C220 C221 1.3900 . ?
C220 C225 1.3900 . ?
C221 F51 1.319(10) . ?
C221 C222 1.3900 . ?
C222 F52 1.375(11) . ?
C222 C223 1.3900 . ?
C223 F53 1.358(10) . ?
C223 C224 1.3900 . ?
C224 F54 1.330(11) . ?
C224 C225 1.3900 . ?
C225 F55 1.341(9) . ?
C226 C231 1.381(18) . ?
C226 C227 1.382(18) . ?
C227 O19 1.342(16) . ?
C227 C228 1.407(18) . ?
C228 C229 1.30(2) . ?
C228 H139 0.9500 . ?
C229 C230 1.41(2) . ?
C229 O20 1.418(17) . ?
C230 C231 1.417(19) . ?
C230 H140 0.9500 . ?
C231 O21 1.389(16) . ?
O19 C232 1.465(15) . ?
C232 H110 0.9800 . ?
C232 H111 0.9800 . ?
C232 H112 0.9800 . ?
O20 C233 1.372(16) . ?
C233 H113 0.9800 . ?
C233 H114 0.9800 . ?
C233 H115 0.9800 . ?
O21 C234 1.446(16) . ?
C234 H116 0.9800 . ?
C234 H117 0.9800 . ?
C234 H118 0.9800 . ?
C235 C236 1.3900 . ?
C235 C240 1.3900 . ?
C236 F56 1.278(8) . ?
C236 C237 1.3900 . ?
C237 F57 1.321(10) . ?
C237 C238 1.3900 . ?
C238 F58 1.312(10) . ?
C238 C239 1.3900 . ?
C239 F59 1.363(10) . ?
C239 C240 1.3900 . ?
C240 F60 1.317(9) . ?
C241 N25 1.352(13) . ?
C241 C259 1.387(15) . ?
C241 C242 1.417(15) . ?
C242 C243 1.376(15) . ?
C242 H33 0.9500 . ?
C243 C244 1.443(15) . ?
C243 H34 0.9500 . ?
C244 C245 1.376(15) . ?
C244 N25 1.435(14) . ?
C245 C246 1.462(14) . ?
C245 C294 1.492(16) . ?
C246 C247 1.411(14) . ?
C246 N26 1.413(13) . ?
C247 C248 1.313(14) . ?
C247 H35 0.9500 . ?
C248 C249 1.445(14) . ?
C248 H36 0.9500 . ?
C249 N26 1.323(12) . ?
C249 C250 1.488(14) . ?
C250 C251 1.366(14) . ?
C250 C285 1.437(13) . ?
C251 N27 1.365(12) . ?
C251 C252 1.371(15) . ?
C252 C253 1.437(14) . ?
C252 H37 0.9500 . ?
C253 C254 1.389(15) . ?
C253 H38 0.9500 . ?
C254 N27 1.405(13) . ?
C254 C255 1.445(14) . ?
C255 C256 1.428(15) . ?
C255 C279 1.476(15) . ?
C256 N28 1.307(14) . ?
C256 C257 1.423(14) . ?
C257 C258 1.397(16) . ?
C257 H39 0.9500 . ?
C258 C259 1.409(14) . ?
C258 H40 0.9500 . ?
C259 N28 1.383(13) . ?
N25 Si7 1.847(9) . ?
N26 Si7 1.849(8) . ?
N27 Si7 1.845(9) . ?
N28 Si7 1.861(8) . ?
Si7 O22 1.623(7) . ?
O22 Si8 1.638(7) . ?
Si8 N31 1.818(8) . ?
Si8 N29 1.842(8) . ?
Si8 N30 1.849(8) . ?
Si8 N32 1.874(9) . ?
C260 C261 1.386(15) . ?
C260 N29 1.394(13) . ?
C260 C278 1.450(14) . ?
C261 C262 1.376(15) . ?
C261 H41 0.9500 . ?
C262 C263 1.392(15) . ?
C262 H42 0.9500 . ?
C263 C264 1.362(15) . ?
C263 N29 1.419(12) . ?
C264 C265 1.409(14) . ?
C264 C300 1.542(14) . ?
C265 C266 1.412(14) . ?
C265 N30 1.416(12) . ?
C266 C267 1.373(13) . ?
C266 H43 0.9500 . ?
C267 C268 1.417(13) . ?
C267 H44 0.9500 . ?
C268 N30 1.389(12) . ?
C268 C269 1.446(12) . ?
C269 C270 1.348(13) . ?
C269 C306 1.454(13) . ?
C270 N31 1.387(12) . ?
C270 C271 1.516(12) . ?
C271 C272 1.341(14) . ?
C271 H45 0.9500 . ?
C272 C273 1.473(14) . ?
C272 H46 0.9500 . ?
C273 C274 1.362(14) . ?
C273 N31 1.453(12) . ?
C274 C275 1.338(15) . ?
C274 C315 1.500(13) . ?
C275 C276 1.402(15) . ?
C275 N32 1.407(13) . ?
C276 C277 1.415(15) . ?
C276 H47 0.9500 . ?
C277 C278 1.411(14) . ?
C277 H48 0.9500 . ?
C278 N32 1.331(13) . ?
C279 C284 1.389(16) . ?
C279 C280 1.395(17) . ?
C280 C281 1.352(16) . ?
C280 F61 1.396(14) . ?
C281 F62 1.264(15) . ?
C281 C282 1.413(19) . ?
C282 C283 1.230(19) . ?
C282 F63 1.467(14) . ?
C283 F64 1.412(15) . ?
C283 C284 1.448(17) . ?
C284 F65 1.302(15) . ?
C285 C290 1.371(13) . ?
C285 C286 1.444(14) . ?
C286 C287 1.331(15) . ?
C286 O23 1.414(12) . ?
C287 C288 1.357(15) . ?
C287 H141 0.9500 . ?
C288 O24 1.379(12) . ?
C288 C289 1.485(14) . ?
C289 C290 1.395(13) . ?
C289 H142 0.9500 . ?
C290 O25 1.355(11) . ?
O23 C291 1.487(13) . ?
C291 H119 0.9800 . ?
C291 H120 0.9800 . ?
C291 H121 0.9800 . ?
O24 C292 1.408(12) . ?
C292 H122 0.9800 . ?
C292 H123 0.9800 . ?
C292 H124 0.9800 . ?
O25 C293 1.444(11) . ?
C293 H125 0.9800 . ?
C293 H126 0.9800 . ?
C293 H127 0.9800 . ?
C294 C299 1.371(18) . ?
C294 C295 1.378(17) . ?
C295 F66 1.313(15) . ?
C295 C296 1.405(17) . ?
C296 C297 1.34(2) . ?
C296 F67 1.350(15) . ?
C297 F68 1.326(14) . ?
C297 C298 1.386(19) . ?
C298 F69 1.334(16) . ?
C298 C299 1.383(17) . ?
C299 F70 1.337(14) . ?
C300 C305 1.335(17) . ?
C300 C301 1.349(18) . ?
C301 F71 1.370(15) . ?
C301 C302 1.463(15) . ?
C302 F72 1.300(16) . ?
C302 C303 1.43(2) . ?
C303 C304 1.31(2) . ?
C303 F73 1.358(13) . ?
C304 F74 1.393(16) . ?
C304 C305 1.431(15) . ?
C305 F75 1.375(15) . ?
C306 C311 1.376(13) . ?
C306 C307 1.436(13) . ?
C307 O26 1.368(12) . ?
C307 C308 1.402(13) . ?
C308 C309 1.372(14) . ?
C308 H143 0.9500 . ?
C309 C310 1.291(14) . ?
C309 O27 1.405(12) . ?
C310 C311 1.407(13) . ?
C310 H144 0.9500 . ?
C311 O28 1.405(11) . ?
O26 C312 1.489(13) . ?
C312 H128 0.9800 . ?
C312 H129 0.9800 . ?
C312 H130 0.9800 . ?
O27 C313 1.434(14) . ?
C313 H131 0.9800 . ?
C313 H132 0.9800 . ?
C313 H133 0.9800 . ?
O28 C314 1.413(11) . ?
C314 H134 0.9800 . ?
C314 H135 0.9800 . ?
C314 H136 0.9800 . ?
C315 C316 1.390(15) . ?
C315 C320 1.414(14) . ?
C316 F76 1.289(12) . ?
C316 C317 1.385(14) . ?
C317 F77 1.328(13) . ?
C317 C318 1.365(16) . ?
C318 C319 1.331(16) . ?
C318 F78 1.358(12) . ?
C319 C320 1.366(14) . ?
C319 F79 1.372(12) . ?
C320 F80 1.371(12) . ?
C375 C376 1.3900 . ?
C375 C380 1.3900 . ?
C376 C377 1.3900 . ?
C376 F86 1.49(2) . ?
C377 F87 1.302(19) . ?
C377 C378 1.3900 . ?
C378 F88 1.272(16) . ?
C378 C379 1.3900 . ?
C379 F89 1.267(16) . ?
C379 C380 1.3900 . ?
C380 F90 1.395(18) . ?
C369 C374 1.3900 . ?
C369 C370 1.3900 . ?
C370 F81 1.29(2) . ?
C370 C371 1.3900 . ?
C371 C372 1.3900 . ?
C371 F82 1.42(2) . ?
C372 C373 1.3900 . ?
C372 F83 1.404(18) . ?
C373 F84 1.33(2) . ?
C373 C374 1.3900 . ?
C374 F85 1.28(2) . ?
F91 C384 1.345(18) . ?
F93 C382 1.316(18) . ?
F95 C385 1.222(19) . ?
F92 C383 1.391(15) . ?
F94 C381 1.32(2) . ?
C381 C382 1.3900 . ?
C381 C386 1.3900 . ?
C382 C383 1.3900 . ?
C383 C384 1.3900 . ?
C384 C385 1.3900 . ?
C385 C386 1.3900 . ?

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
C19 C1 C2 139.5(10) . . ?
C19 C1 N1 110.7(9) . . ?
C2 C1 N1 109.8(9) . . ?
C1 C2 C3 105.1(9) . . ?
C1 C2 H1 127.5 . . ?
C3 C2 H1 127.5 . . ?
C4 C3 C2 107.8(10) . . ?
C4 C3 H2 126.1 . . ?
C2 C3 H2 126.1 . . ?
N1 C4 C3 110.6(9) . . ?
N1 C4 C5 118.1(10) . . ?
C3 C4 C5 130.5(10) . . ?
C6 C5 C4 121.7(10) . . ?
C6 C5 C39 121.0(10) . . ?
C4 C5 C39 117.2(10) . . ?
C5 C6 C7 127.7(10) . . ?
C5 C6 N2 125.9(10) . . ?
C7 C6 N2 106.3(9) . . ?
C8 C7 C6 110.3(9) . . ?
C8 C7 H3 124.8 . . ?
C6 C7 H3 124.8 . . ?
C7 C8 C9 110.9(9) . . ?
C7 C8 H4 124.5 . . ?
C9 C8 H4 124.5 . . ?
C10 C9 C8 131.5(10) . . ?
C10 C9 N2 120.9(9) . . ?
C8 C9 N2 107.3(9) . . ?
C9 C10 C11 128.5(10) . . ?
C9 C10 C45 117.4(9) . . ?
C11 C10 C45 113.1(9) . . ?
C10 C11 C12 132.2(10) . . ?
C10 C11 N3 119.6(10) . . ?
C12 C11 N3 107.2(9) . . ?
C13 C12 C11 109.0(10) . . ?
C13 C12 H5 125.5 . . ?
C11 C12 H5 125.5 . . ?
C12 C13 C14 110.6(10) . . ?
C12 C13 H6 124.7 . . ?
C14 C13 H6 124.7 . . ?
C15 C14 N3 128.3(10) . . ?
C15 C14 C13 125.3(10) . . ?
N3 C14 C13 106.2(9) . . ?
C16 C15 C14 119.0(10) . . ?
C16 C15 C54 119.8(10) . . ?
C14 C15 C54 121.3(10) . . ?
C15 C16 N4 119.6(9) . . ?
C15 C16 C17 132.9(10) . . ?
N4 C16 C17 106.3(9) . . ?
C18 C17 C16 107.3(9) . . ?
C18 C17 H7 126.3 . . ?
C16 C17 H7 126.3 . . ?
C17 C18 C19 108.8(10) . . ?
C17 C18 H8 125.6 . . ?
C19 C18 H8 125.6 . . ?
C1 C19 C18 139.8(11) . . ?
C1 C19 N4 110.1(9) . . ?
C18 C19 N4 109.4(9) . . ?
C4 N1 C1 106.3(9) . . ?
C4 N1 Si1 136.6(7) . . ?
C1 N1 Si1 116.2(7) . . ?
C6 N2 C9 104.7(8) . . ?
C6 N2 Si1 128.1(7) . . ?
C9 N2 Si1 127.1(7) . . ?
C14 N3 C11 106.2(9) . . ?
C14 N3 Si1 125.4(7) . . ?
C11 N3 Si1 128.0(7) . . ?
O1 Si1 N4 102.7(4) . . ?
O1 Si1 N2 102.9(4) . . ?
N4 Si1 N2 153.6(4) . . ?
O1 Si1 N1 105.1(4) . . ?
N4 Si1 N1 81.2(4) . . ?
N2 Si1 N1 85.8(4) . . ?
O1 Si1 N3 102.7(4) . . ?
N4 Si1 N3 88.3(4) . . ?
N2 Si1 N3 92.7(4) . . ?
N1 Si1 N3 151.8(4) . . ?
C19 N4 C16 105.6(8) . . ?
C19 N4 Si1 119.2(7) . . ?
C16 N4 Si1 134.8(8) . . ?
Si2 O1 Si1 154.4(5) . . ?
O1 Si2 N8 100.3(4) . . ?
O1 Si2 N6 104.1(4) . . ?
N8 Si2 N6 155.0(4) . . ?
O1 Si2 N5 107.8(4) . . ?
N8 Si2 N5 80.3(4) . . ?
N6 Si2 N5 87.0(4) . . ?
O1 Si2 N7 100.8(4) . . ?
N8 Si2 N7 87.7(4) . . ?
N6 Si2 N7 93.1(4) . . ?
N5 Si2 N7 150.5(4) . . ?
C38 C20 N5 114.7(8) . . ?
C38 C20 C21 136.4(10) . . ?
N5 C20 C21 108.4(8) . . ?
C22 C21 C20 108.3(9) . . ?
C22 C21 H9 125.8 . . ?
C20 C21 H9 125.8 . . ?
C21 C22 C23 105.7(8) . . ?
C21 C22 H10 127.1 . . ?
C23 C22 H10 127.1 . . ?
N5 C23 C24 119.6(9) . . ?
N5 C23 C22 110.0(9) . . ?
C24 C23 C22 130.1(9) . . ?
C25 C24 C23 118.4(9) . . ?
C25 C24 C60 120.6(10) . . ?
C23 C24 C60 120.9(9) . . ?
C24 C25 N6 127.2(10) . . ?
C24 C25 C26 124.4(9) . . ?
N6 C25 C26 108.0(9) . . ?
C27 C26 C25 107.6(9) . . ?
C27 C26 H11 126.2 . . ?
C25 C26 H11 126.2 . . ?
C26 C27 C28 110.7(10) . . ?
C26 C27 H12 124.6 . . ?
C28 C27 H12 124.6 . . ?
C29 C28 C27 127.4(10) . . ?
C29 C28 N6 125.6(9) . . ?
C27 C28 N6 107.0(9) . . ?
C28 C29 C30 123.9(10) . . ?
C28 C29 C66 120.7(9) . . ?
C30 C29 C66 113.9(9) . . ?
C31 C30 N7 111.1(9) . . ?
C31 C30 C29 128.2(10) . . ?
N7 C30 C29 120.6(9) . . ?
C30 C31 C32 111.0(10) . . ?
C30 C31 H13 124.5 . . ?
C32 C31 H13 124.5 . . ?
C33 C32 C31 103.8(9) . . ?
C33 C32 H14 128.1 . . ?
C31 C32 H14 128.1 . . ?
C34 C33 C32 124.0(9) . . ?
C34 C33 N7 123.9(9) . . ?
C32 C33 N7 111.4(9) . . ?
C33 C34 C35 121.6(9) . . ?
C33 C34 C75 120.5(9) . . ?
C35 C34 C75 117.7(9) . . ?
N8 C35 C36 109.1(8) . . ?
N8 C35 C34 118.1(9) . . ?
C36 C35 C34 132.7(9) . . ?
C37 C36 C35 106.4(9) . . ?
C37 C36 H15 126.8 . . ?
C35 C36 H15 126.8 . . ?
C36 C37 C38 109.2(9) . . ?
C36 C37 H16 125.4 . . ?
C38 C37 H16 125.4 . . ?
C20 C38 C37 143.4(10) . . ?
C20 C38 N8 108.0(9) . . ?
C37 C38 N8 108.5(8) . . ?
C23 N5 C20 106.7(8) . . ?
C23 N5 Si2 136.5(7) . . ?
C20 N5 Si2 116.3(6) . . ?
C25 N6 C28 106.4(8) . . ?
C25 N6 Si2 128.3(7) . . ?
C28 N6 Si2 125.1(7) . . ?
C33 N7 C30 102.4(8) . . ?
C33 N7 Si2 127.7(7) . . ?
C30 N7 Si2 127.5(6) . . ?
C35 N8 C38 105.9(8) . . ?
C35 N8 Si2 135.1(7) . . ?
C38 N8 Si2 118.9(6) . . ?
C40 C39 C44 113.1(10) . . ?
C40 C39 C5 123.0(10) . . ?
C44 C39 C5 123.9(10) . . ?
F1 C40 C41 117.0(10) . . ?
F1 C40 C39 118.8(10) . . ?
C41 C40 C39 124.2(11) . . ?
C42 C41 F2 121.1(10) . . ?
C42 C41 C40 119.9(11) . . ?
F2 C41 C40 118.8(11) . . ?
C41 C42 F3 119.6(12) . . ?
C41 C42 C43 121.7(11) . . ?
F3 C42 C43 118.7(12) . . ?
F4 C43 C44 121.3(12) . . ?
F4 C43 C42 120.9(11) . . ?
C44 C43 C42 117.7(12) . . ?
F5 C44 C43 118.2(11) . . ?
F5 C44 C39 118.4(10) . . ?
C43 C44 C39 123.3(11) . . ?
C50 C45 C46 120.0(10) . . ?
C50 C45 C10 123.4(10) . . ?
C46 C45 C10 116.1(9) . . ?
C47 C46 O2 128.0(11) . . ?
C47 C46 C45 115.5(11) . . ?
O2 C46 C45 116.4(9) . . ?
C48 C47 C46 126.1(13) . . ?
C48 C47 H149 116.9 . . ?
C46 C47 H149 116.9 . . ?
C47 C48 O3 120.3(13) . . ?
C47 C48 C49 121.4(11) . . ?
O3 C48 C49 118.3(11) . . ?
C48 C49 C50 115.3(11) . . ?
C48 C49 H150 122.3 . . ?
C50 C49 H150 122.3 . . ?
O4 C50 C45 116.2(10) . . ?
O4 C50 C49 122.3(11) . . ?
C45 C50 C49 121.4(12) . . ?
C51 O2 C46 119.2(9) . . ?
O2 C51 H65 109.5 . . ?
O2 C51 H66 109.5 . . ?
H65 C51 H66 109.5 . . ?
O2 C51 H67 109.5 . . ?
H65 C51 H67 109.5 . . ?
H66 C51 H67 109.5 . . ?
C48 O3 C52 121.3(11) . . ?
O3 C52 H68 109.5 . . ?
O3 C52 H69 109.5 . . ?
H68 C52 H69 109.5 . . ?
O3 C52 H70 109.5 . . ?
H68 C52 H70 109.5 . . ?
H69 C52 H70 109.5 . . ?
C50 O4 C53 117.9(10) . . ?
O4 C53 H71 109.5 . . ?
O4 C53 H72 109.5 . . ?
H71 C53 H72 109.5 . . ?
O4 C53 H73 109.5 . . ?
H71 C53 H73 109.5 . . ?
H72 C53 H73 109.5 . . ?
C59 C54 C55 113.7(11) . . ?
C59 C54 C15 124.4(11) . . ?
C55 C54 C15 121.8(12) . . ?
C56 C55 F6 113.7(11) . . ?
C56 C55 C54 127.9(14) . . ?
F6 C55 C54 118.2(11) . . ?
C55 C56 F7 126.7(14) . . ?
C55 C56 C57 117.5(13) . . ?
F7 C56 C57 115.8(12) . . ?
C58 C57 F8 122.5(15) . . ?
C58 C57 C56 112.1(13) . . ?
F8 C57 C56 123.4(12) . . ?
C57 C58 C59 129.5(15) . . ?
C57 C58 F9 114.4(13) . . ?
C59 C58 F9 114.7(12) . . ?
F10 C59 C54 119.8(11) . . ?
F10 C59 C58 121.6(12) . . ?
C54 C59 C58 118.6(12) . . ?
C65 C60 C61 113.5(9) . . ?
C65 C60 C24 126.0(10) . . ?
C61 C60 C24 120.4(9) . . ?
F11 C61 C62 124.6(11) . . ?
F11 C61 C60 115.6(9) . . ?
C62 C61 C60 119.3(10) . . ?
C63 C62 C61 127.2(12) . . ?
C63 C62 F12 118.6(10) . . ?
C61 C62 F12 114.3(10) . . ?
C62 C63 F13 124.2(12) . . ?
C62 C63 C64 116.3(11) . . ?
F13 C63 C64 119.5(11) . . ?
F14 C64 C65 126.9(12) . . ?
F14 C64 C63 114.2(10) . . ?
C65 C64 C63 118.9(11) . . ?
C64 C65 F15 116.5(10) . . ?
C64 C65 C60 124.8(11) . . ?
F15 C65 C60 118.6(9) . . ?
C67 C66 C71 118.6(10) . . ?
C67 C66 C29 123.5(10) . . ?
C71 C66 C29 117.9(10) . . ?
C66 C67 O5 113.3(10) . . ?
C66 C67 C68 124.2(10) . . ?
O5 C67 C68 122.4(10) . . ?
C67 C68 C69 117.0(10) . . ?
C67 C68 H151 121.5 . . ?
C69 C68 H151 121.5 . . ?
O6 C69 C68 126.3(10) . . ?
O6 C69 C70 112.1(9) . . ?
C68 C69 C70 121.7(10) . . ?
C71 C70 C69 117.7(10) . . ?
C71 C70 H152 121.2 . . ?
C69 C70 H152 121.2 . . ?
O7 C71 C70 125.9(10) . . ?
O7 C71 C66 113.2(10) . . ?
C70 C71 C66 120.7(10) . . ?
C67 O5 C72 114.1(8) . . ?
O5 C72 H74 109.5 . . ?
O5 C72 H75 109.5 . . ?
H74 C72 H75 109.5 . . ?
O5 C72 H76 109.5 . . ?
H74 C72 H76 109.5 . . ?
H75 C72 H76 109.5 . . ?
C69 O6 C73 117.9(8) . . ?
O6 C73 H77 109.5 . . ?
O6 C73 H78 109.5 . . ?
H77 C73 H78 109.5 . . ?
O6 C73 H79 109.5 . . ?
H77 C73 H79 109.5 . . ?
H78 C73 H79 109.5 . . ?
C71 O7 C74 117.2(9) . . ?
O7 C74 H80 109.5 . . ?
O7 C74 H81 109.5 . . ?
H80 C74 H81 109.5 . . ?
O7 C74 H82 109.5 . . ?
H80 C74 H82 109.5 . . ?
H81 C74 H82 109.5 . . ?
C76 C75 C80 115.4(10) . . ?
C76 C75 C34 119.9(10) . . ?
C80 C75 C34 124.6(10) . . ?
C75 C76 F16 121.5(9) . . ?
C75 C76 C77 125.8(10) . . ?
F16 C76 C77 112.2(10) . . ?
F17 C77 C78 120.5(9) . . ?
F17 C77 C76 122.7(10) . . ?
C78 C77 C76 116.6(10) . . ?
F18 C78 C77 122.6(10) . . ?
F18 C78 C79 116.8(10) . . ?
C77 C78 C79 120.5(10) . . ?
F19 C79 C80 121.0(11) . . ?
F19 C79 C78 120.6(9) . . ?
C80 C79 C78 118.4(11) . . ?
F20 C80 C75 119.9(10) . . ?
F20 C80 C79 117.1(10) . . ?
C75 C80 C79 122.8(11) . . ?
C99 C81 N9 110.9(8) . . ?
C99 C81 C82 141.5(9) . . ?
N9 C81 C82 107.6(8) . . ?
C83 C82 C81 107.8(9) . . ?
C83 C82 H49 126.1 . . ?
C81 C82 H49 126.1 . . ?
C82 C83 C84 107.2(8) . . ?
C82 C83 H50 126.4 . . ?
C84 C83 H50 126.4 . . ?
N9 C84 C85 120.8(8) . . ?
N9 C84 C83 108.5(8) . . ?
C85 C84 C83 130.7(8) . . ?
C84 C85 C86 120.7(8) . . ?
C84 C85 C386 122.4(12) . . ?
C86 C85 C386 116.5(12) . . ?
C84 C85 C119 120.7(11) . . ?
C86 C85 C119 118.5(11) . . ?
C85 C86 C87 127.1(8) . . ?
C85 C86 N10 124.5(8) . . ?
C87 C86 N10 108.1(7) . . ?
C88 C87 C86 108.9(8) . . ?
C88 C87 H51 125.5 . . ?
C86 C87 H51 125.5 . . ?
C87 C88 C89 108.0(9) . . ?
C87 C88 H52 126.0 . . ?
C89 C88 H52 126.0 . . ?
C88 C89 C90 125.8(9) . . ?
C88 C89 N10 112.7(8) . . ?
C90 C89 N10 119.9(9) . . ?
C89 C90 C91 120.5(9) . . ?
C89 C90 C125 120.6(9) . . ?
C91 C90 C125 118.9(8) . . ?
N11 C91 C90 126.0(8) . . ?
N11 C91 C92 111.4(9) . . ?
C90 C91 C92 122.7(9) . . ?
C93 C92 C91 105.6(9) . . ?
C93 C92 H53 127.2 . . ?
C91 C92 H53 127.2 . . ?
C92 C93 C94 113.5(9) . . ?
C92 C93 H54 123.3 . . ?
C94 C93 H54 123.3 . . ?
C95 C94 C93 130.9(9) . . ?
C95 C94 N11 125.4(8) . . ?
C93 C94 N11 103.6(9) . . ?
C94 C95 C96 122.2(9) . . ?
C94 C95 C134 120.2(9) . . ?
C96 C95 C134 117.2(10) . . ?
C95 C96 N12 121.8(9) . . ?
C95 C96 C97 133.7(9) . . ?
N12 C96 C97 104.2(8) . . ?
C98 C97 C96 110.3(9) . . ?
C98 C97 H55 124.9 . . ?
C96 C97 H55 124.9 . . ?
C97 C98 C99 106.9(9) . . ?
C97 C98 H56 126.6 . . ?
C99 C98 H56 126.6 . . ?
C81 C99 N12 113.8(8) . . ?
C81 C99 C98 137.5(9) . . ?
N12 C99 C98 107.3(7) . . ?
C84 N9 C81 108.7(7) . . ?
C84 N9 Si3 132.6(6) . . ?
C81 N9 Si3 116.2(6) . . ?
C89 N10 C86 101.5(7) . . ?
C89 N10 Si3 129.9(6) . . ?
C86 N10 Si3 125.9(6) . . ?
C91 N11 C94 105.5(7) . . ?
C91 N11 Si3 128.0(7) . . ?
C94 N11 Si3 126.5(7) . . ?
C99 N12 C96 111.1(8) . . ?
C99 N12 Si3 116.1(6) . . ?
C96 N12 Si3 132.5(7) . . ?
O8 Si3 N10 100.8(3) . . ?
O8 Si3 N11 104.3(4) . . ?
N10 Si3 N11 91.2(4) . . ?
O8 Si3 N12 104.2(4) . . ?
N10 Si3 N12 154.3(4) . . ?
N11 Si3 N12 88.3(4) . . ?
O8 Si3 N9 105.6(3) . . ?
N10 Si3 N9 87.8(3) . . ?
N11 Si3 N9 149.7(4) . . ?
N12 Si3 N9 79.9(3) . . ?
Si4 O8 Si3 154.6(4) . . ?
O8 Si4 N14 104.1(3) . . ?
O8 Si4 N15 100.2(4) . . ?
N14 Si4 N15 92.1(3) . . ?
O8 Si4 N13 104.0(4) . . ?
N14 Si4 N13 88.5(3) . . ?
N15 Si4 N13 154.9(4) . . ?
O8 Si4 N16 103.2(3) . . ?
N14 Si4 N16 152.0(4) . . ?
N15 Si4 N16 89.2(4) . . ?
N13 Si4 N16 78.9(3) . . ?
C100 N13 C103 104.9(8) . . ?
C100 N13 Si4 119.2(6) . . ?
C103 N13 Si4 135.6(7) . . ?
C108 N14 C105 103.3(7) . . ?
C108 N14 Si4 126.0(6) . . ?
C105 N14 Si4 130.2(6) . . ?
C110 N15 C113 105.0(8) . . ?
C110 N15 Si4 125.5(6) . . ?
C113 N15 Si4 127.8(7) . . ?
C118 N16 C115 108.9(8) . . ?
C118 N16 Si4 116.8(6) . . ?
C115 N16 Si4 133.8(7) . . ?
N13 C100 C101 111.2(8) . . ?
N13 C100 C118 109.0(8) . . ?
C101 C100 C118 139.6(9) . . ?
C102 C101 C100 109.3(9) . . ?
C102 C101 H57 125.4 . . ?
C100 C101 H57 125.4 . . ?
C101 C102 C103 105.9(8) . . ?
C101 C102 H58 127.0 . . ?
C103 C102 H58 127.0 . . ?
N13 C103 C104 117.4(8) . . ?
N13 C103 C102 108.5(8) . . ?
C104 C103 C102 133.7(8) . . ?
C105 C104 C103 124.0(8) . . ?
C105 C104 C140 119.2(8) . . ?
C103 C104 C140 116.6(8) . . ?
C106 C105 C104 128.8(8) . . ?
C106 C105 N14 109.4(8) . . ?
C104 C105 N14 121.8(8) . . ?
C107 C106 C105 109.1(8) . . ?
C107 C106 H59 125.5 . . ?
C105 C106 H59 125.5 . . ?
C106 C107 C108 109.7(8) . . ?
C106 C107 H60 125.2 . . ?
C108 C107 H60 125.2 . . ?
C109 C108 N14 125.2(8) . . ?
C109 C108 C107 126.2(9) . . ?
N14 C108 C107 108.6(8) . . ?
C108 C109 C110 120.2(9) . . ?
C108 C109 C146 122.2(8) . . ?
C110 C109 C146 117.4(9) . . ?
N15 C110 C109 124.9(9) . . ?
N15 C110 C111 109.0(8) . . ?
C109 C110 C111 124.6(9) . . ?
C112 C111 C110 108.5(9) . . ?
C112 C111 H61 125.8 . . ?
C110 C111 H61 125.8 . . ?
C111 C112 C113 107.4(9) . . ?
C111 C112 H62 126.3 . . ?
C113 C112 H62 126.3 . . ?
C112 C113 C114 125.4(9) . . ?
C112 C113 N15 109.3(8) . . ?
C114 C113 N15 125.2(9) . . ?
C113 C114 C115 121.6(9) . . ?
C113 C114 C369 119.1(12) . . ?
C115 C114 C369 118.8(12) . . ?
C113 C114 C155 117.7(10) . . ?
C115 C114 C155 120.2(10) . . ?
N16 C115 C116 109.4(9) . . ?
N16 C115 C114 119.3(9) . . ?
C116 C115 C114 131.3(9) . . ?
C115 C116 C117 106.5(8) . . ?
C115 C116 H63 126.8 . . ?
C117 C116 H63 126.8 . . ?
C116 C117 C118 106.3(9) . . ?
C116 C117 H64 126.8 . . ?
C118 C117 H64 126.8 . . ?
N16 C118 C100 114.0(8) . . ?
N16 C118 C117 108.8(8) . . ?
C100 C118 C117 137.2(10) . . ?
C120 C119 C124 120.0 . . ?
C120 C119 C85 124.0(10) . . ?
C124 C119 C85 115.9(10) . . ?
F21 C120 C119 119.7(12) . . ?
F21 C120 C121 120.3(12) . . ?
C119 C120 C121 120.0 . . ?
F22 C121 C122 120.7(11) . . ?
F22 C121 C120 119.1(11) . . ?
C122 C121 C120 120.0 . . ?
F23 C122 C121 123.5(11) . . ?
F23 C122 C123 116.4(11) . . ?
C121 C122 C123 120.0 . . ?
C124 C123 C122 120.0 . . ?
C124 C123 F24 120.6(10) . . ?
C122 C123 F24 119.4(10) . . ?
C123 C124 C119 120.0 . . ?
C123 C124 F25 114.9(11) . . ?
C119 C124 F25 125.1(11) . . ?
C126 C125 C130 116.3(10) . . ?
C126 C125 C90 121.2(10) . . ?
C130 C125 C90 122.4(11) . . ?
C127 C126 O9 120.1(12) . . ?
C127 C126 C125 124.9(12) . . ?
O9 C126 C125 115.0(9) . . ?
C126 C127 C128 114.8(12) . . ?
C126 C127 H145 122.6 . . ?
C128 C127 H145 122.6 . . ?
C129 C128 O10 126.7(12) . . ?
C129 C128 C127 121.8(11) . . ?
O10 C128 C127 111.1(12) . . ?
C128 C129 C130 121.0(12) . . ?
C128 C129 H146 119.5 . . ?
C130 C129 H146 119.5 . . ?
O11 C130 C125 113.6(9) . . ?
O11 C130 C129 125.6(11) . . ?
C125 C130 C129 120.5(12) . . ?
C126 O9 C131 118.3(9) . . ?
O9 C131 H83 109.5 . . ?
O9 C131 H84 109.5 . . ?
H83 C131 H84 109.5 . . ?
O9 C131 H85 109.5 . . ?
H83 C131 H85 109.5 . . ?
H84 C131 H85 109.5 . . ?
C132 O10 C128 121.4(12) . . ?
O10 C132 H86 109.5 . . ?
O10 C132 H87 109.5 . . ?
H86 C132 H87 109.5 . . ?
O10 C132 H88 109.5 . . ?
H86 C132 H88 109.5 . . ?
H87 C132 H88 109.5 . . ?
O11 C133 H89 109.5 . . ?
O11 C133 H90 109.5 . . ?
H89 C133 H90 109.5 . . ?
O11 C133 H91 109.5 . . ?
H89 C133 H91 109.5 . . ?
H90 C133 H91 109.5 . . ?
C130 O11 C133 117.1(9) . . ?
C139 C134 C135 113.3(10) . . ?
C139 C134 C95 125.3(11) . . ?
C135 C134 C95 121.3(11) . . ?
F26 C135 C134 120.9(10) . . ?
F26 C135 C136 118.7(12) . . ?
C134 C135 C136 120.5(13) . . ?
C137 C136 F27 115.4(13) . . ?
C137 C136 C135 123.3(14) . . ?
F27 C136 C135 119.2(14) . . ?
C136 C137 F28 123.5(15) . . ?
C136 C137 C138 119.3(13) . . ?
F28 C137 C138 117.1(14) . . ?
F29 C138 C139 121.9(13) . . ?
F29 C138 C137 120.8(12) . . ?
C139 C138 C137 117.2(14) . . ?
F30 C139 C134 118.3(10) . . ?
F30 C139 C138 115.9(12) . . ?
C134 C139 C138 125.8(13) . . ?
C145 C140 C141 113.2(9) . . ?
C145 C140 C104 125.3(9) . . ?
C141 C140 C104 121.5(9) . . ?
F31 C141 C140 119.3(8) . . ?
F31 C141 C142 119.5(9) . . ?
C140 C141 C142 121.0(10) . . ?
C143 C142 C141 123.0(10) . . ?
C143 C142 F32 122.3(9) . . ?
C141 C142 F32 114.7(10) . . ?
F33 C143 C142 121.1(10) . . ?
F33 C143 C144 121.9(10) . . ?
C142 C143 C144 116.5(9) . . ?
C145 C144 F34 122.6(10) . . ?
C145 C144 C143 120.5(10) . . ?
F34 C144 C143 116.6(9) . . ?
C144 C145 C140 125.6(10) . . ?
C144 C145 F35 115.9(9) . . ?
C140 C145 F35 118.3(8) . . ?
C151 C146 C147 116.7(10) . . ?
C151 C146 C109 121.3(10) . . ?
C147 C146 C109 122.0(10) . . ?
C148 C147 O12 123.7(10) . . ?
C148 C147 C146 124.3(11) . . ?
O12 C147 C146 112.0(9) . . ?
C147 C148 C149 117.1(11) . . ?
C147 C148 H147 121.4 . . ?
C149 C148 H147 121.4 . . ?
O13 C149 C150 123.6(12) . . ?
O13 C149 C148 111.0(10) . . ?
C150 C149 C148 125.2(11) . . ?
C149 C150 C151 113.2(11) . . ?
C149 C150 H148 123.4 . . ?
C151 C150 H148 123.4 . . ?
O14 C151 C146 115.3(10) . . ?
O14 C151 C150 121.2(11) . . ?
C146 C151 C150 123.5(10) . . ?
C147 O12 C152 119.1(8) . . ?
O12 C152 H92 109.5 . . ?
O12 C152 H93 109.5 . . ?
H92 C152 H93 109.5 . . ?
O12 C152 H94 109.5 . . ?
H92 C152 H94 109.5 . . ?
H93 C152 H94 109.5 . . ?
C149 O13 C153 113.9(11) . . ?
O13 C153 H95 109.5 . . ?
O13 C153 H96 109.5 . . ?
H95 C153 H96 109.5 . . ?
O13 C153 H97 109.5 . . ?
H95 C153 H97 109.5 . . ?
H96 C153 H97 109.5 . . ?
C151 O14 C154 119.2(10) . . ?
O14 C154 H98 109.5 . . ?
O14 C154 H99 109.5 . . ?
H98 C154 H99 109.5 . . ?
O14 C154 H100 109.5 . . ?
H98 C154 H100 109.5 . . ?
H99 C154 H100 109.5 . . ?
C156 C155 C160 120.0 . . ?
C156 C155 C114 123.8(9) . . ?
C160 C155 C114 116.2(9) . . ?
F36 C156 C155 122.0(10) . . ?
F36 C156 C157 118.0(10) . . ?
C155 C156 C157 120.0 . . ?
F37 C157 C156 126.4(11) . . ?
F37 C157 C158 113.4(11) . . ?
C156 C157 C158 120.0 . . ?
F38 C158 C159 114.8(11) . . ?
F38 C158 C157 125.2(11) . . ?
C159 C158 C157 120.0 . . ?
F39 C159 C158 123.5(10) . . ?
F39 C159 C160 116.5(10) . . ?
C158 C159 C160 120.0 . . ?
F40 C160 C159 117.4(10) . . ?
F40 C160 C155 122.6(10) . . ?
C159 C160 C155 120.0 . . ?
C162 C161 C179 140.0(9) . . ?
C162 C161 N17 113.2(9) . . ?
C179 C161 N17 106.5(8) . . ?
C161 C162 C163 105.2(9) . . ?
C161 C162 H17 127.4 . . ?
C163 C162 H17 127.4 . . ?
C162 C163 C164 110.2(9) . . ?
C162 C163 H18 124.9 . . ?
C164 C163 H18 124.9 . . ?
C165 C164 N17 118.8(9) . . ?
C165 C164 C163 133.7(10) . . ?
N17 C164 C163 107.5(8) . . ?
C164 C165 C166 121.4(10) . . ?
C164 C165 C199 121.8(12) . . ?
C166 C165 C199 116.8(12) . . ?
C164 C165 C375 117.5(11) . . ?
C166 C165 C375 120.2(11) . . ?
C165 C166 N18 125.2(9) . . ?
C165 C166 C167 127.1(10) . . ?
N18 C166 C167 107.4(9) . . ?
C168 C167 C166 110.3(10) . . ?
C168 C167 H19 124.8 . . ?
C166 C167 H19 124.8 . . ?
C167 C168 C169 106.7(10) . . ?
C167 C168 H20 126.7 . . ?
C169 C168 H20 126.7 . . ?
C170 C169 N18 125.5(9) . . ?
C170 C169 C168 126.1(10) . . ?
N18 C169 C168 108.3(9) . . ?
C169 C170 C171 122.5(9) . . ?
C169 C170 C205 117.6(9) . . ?
C171 C170 C205 119.7(10) . . ?
C172 C171 C170 124.9(9) . . ?
C172 C171 N19 111.6(9) . . ?
C170 C171 N19 123.3(9) . . ?
C171 C172 C173 105.2(9) . . ?
C171 C172 H21 127.4 . . ?
C173 C172 H21 127.4 . . ?
C172 C173 C174 108.1(9) . . ?
C172 C173 H22 126.0 . . ?
C174 C173 H22 126.0 . . ?
N19 C174 C175 131.4(10) . . ?
N19 C174 C173 107.6(8) . . ?
C175 C174 C173 120.8(10) . . ?
C176 C175 C174 116.5(10) . . ?
C176 C175 C214 120.2(9) . . ?
C174 C175 C214 122.7(10) . . ?
N20 C176 C175 122.5(9) . . ?
N20 C176 C177 108.4(9) . . ?
C175 C176 C177 129.1(10) . . ?
C176 C177 C178 109.0(9) . . ?
C176 C177 H23 125.5 . . ?
C178 C177 H23 125.5 . . ?
C177 C178 C179 104.1(8) . . ?
C177 C178 H24 127.9 . . ?
C179 C178 H24 127.9 . . ?
N20 C179 C161 115.4(8) . . ?
N20 C179 C178 107.7(8) . . ?
C161 C179 C178 136.9(9) . . ?
C164 N17 C161 103.9(8) . . ?
C164 N17 Si5 136.0(7) . . ?
C161 N17 Si5 119.1(6) . . ?
C166 N18 C169 106.5(8) . . ?
C166 N18 Si5 127.5(7) . . ?
C169 N18 Si5 125.2(6) . . ?
C174 N19 C171 107.5(8) . . ?
C174 N19 Si5 126.1(7) . . ?
C171 N19 Si5 125.8(7) . . ?
C176 N20 C179 110.7(8) . . ?
C176 N20 Si5 134.5(7) . . ?
C179 N20 Si5 114.3(7) . . ?
O15 Si5 N17 103.7(4) . . ?
O15 Si5 N18 101.9(4) . . ?
N17 Si5 N18 86.7(4) . . ?
O15 Si5 N20 104.5(4) . . ?
N17 Si5 N20 81.7(4) . . ?
N18 Si5 N20 153.0(4) . . ?
O15 Si5 N19 103.3(4) . . ?
N17 Si5 N19 152.4(4) . . ?
N18 Si5 N19 93.2(4) . . ?
N20 Si5 N19 86.1(4) . . ?
Si6 O15 Si5 157.9(5) . . ?
O15 Si6 N22 106.7(4) . . ?
O15 Si6 N24 102.7(4) . . ?
N22 Si6 N24 149.8(4) . . ?
O15 Si6 N21 103.2(4) . . ?
N22 Si6 N21 86.6(4) . . ?
N24 Si6 N21 80.4(4) . . ?
O15 Si6 N23 101.1(4) . . ?
N22 Si6 N23 93.7(4) . . ?
N24 Si6 N23 87.0(4) . . ?
N21 Si6 N23 154.5(4) . . ?
C181 C180 N21 113.4(9) . . ?
C181 C180 C198 139.6(10) . . ?
N21 C180 C198 106.6(8) . . ?
C180 C181 C182 106.0(10) . . ?
C180 C181 H25 127.0 . . ?
C182 C181 H25 127.0 . . ?
C183 C182 C181 103.8(10) . . ?
C183 C182 H26 128.1 . . ?
C181 C182 H26 128.1 . . ?
C182 C183 N21 115.7(10) . . ?
C182 C183 C184 129.0(11) . . ?
N21 C183 C184 114.7(10) . . ?
C185 C184 C183 120.0(10) . . ?
C185 C184 C220 120.8(10) . . ?
C183 C184 C220 119.0(10) . . ?
N22 C185 C186 113.5(10) . . ?
N22 C185 C184 125.7(11) . . ?
C186 C185 C184 120.3(11) . . ?
C187 C186 C185 103.9(11) . . ?
C187 C186 H27 128.0 . . ?
C185 C186 H27 128.0 . . ?
C188 C187 C186 111.2(11) . . ?
C188 C187 H28 124.4 . . ?
C186 C187 H28 124.4 . . ?
C189 C188 C187 129.8(11) . . ?
C189 C188 N22 123.0(11) . . ?
C187 C188 N22 107.2(10) . . ?
C188 C189 C190 122.6(11) . . ?
C188 C189 C226 118.9(11) . . ?
C190 C189 C226 118.2(11) . . ?
C189 C190 N23 128.1(10) . . ?
C189 C190 C191 126.6(10) . . ?
N23 C190 C191 105.0(9) . . ?
C192 C191 C190 107.7(9) . . ?
C192 C191 H29 126.2 . . ?
C190 C191 H29 126.2 . . ?
C191 C192 C193 108.1(10) . . ?
C191 C192 H30 125.9 . . ?
C193 C192 H30 125.9 . . ?
N23 C193 C194 126.8(9) . . ?
N23 C193 C192 109.5(9) . . ?
C194 C193 C192 123.7(10) . . ?
C193 C194 C195 119.3(10) . . ?
C193 C194 C235 120.0(9) . . ?
C195 C194 C235 120.6(9) . . ?
N24 C195 C194 119.3(9) . . ?
N24 C195 C196 109.3(9) . . ?
C194 C195 C196 131.3(10) . . ?
C197 C196 C195 107.8(9) . . ?
C197 C196 H31 126.1 . . ?
C195 C196 H31 126.1 . . ?
C196 C197 C198 106.5(10) . . ?
C196 C197 H32 126.7 . . ?
C198 C197 H32 126.7 . . ?
N24 C198 C197 111.3(9) . . ?
N24 C198 C180 112.1(9) . . ?
C197 C198 C180 136.5(10) . . ?
C183 N21 C180 100.4(8) . . ?
C183 N21 Si6 138.7(7) . . ?
C180 N21 Si6 120.5(7) . . ?
C185 N22 C188 103.6(9) . . ?
C185 N22 Si6 129.2(8) . . ?
C188 N22 Si6 125.7(7) . . ?
C193 N23 C190 108.9(9) . . ?
C193 N23 Si6 127.1(7) . . ?
C190 N23 Si6 123.2(7) . . ?
C195 N24 C198 105.0(8) . . ?
C195 N24 Si6 135.2(7) . . ?
C198 N24 Si6 119.1(7) . . ?
C200 C199 C204 120.0 . . ?
C200 C199 C165 117.4(11) . . ?
C204 C199 C165 122.6(11) . . ?
F41 C200 C201 115.8(13) . . ?
F41 C200 C199 124.2(13) . . ?
C201 C200 C199 120.0 . . ?
F42 C201 C200 128.2(14) . . ?
F42 C201 C202 111.8(14) . . ?
C200 C201 C202 120.0 . . ?
F43 C202 C203 116.0(14) . . ?
F43 C202 C201 124.0(14) . . ?
C203 C202 C201 120.0 . . ?
F44 C203 C204 113.2(13) . . ?
F44 C203 C202 126.4(13) . . ?
C204 C203 C202 120.0 . . ?
F45 C204 C203 121.1(15) . . ?
F45 C204 C199 117.1(15) . . ?
C203 C204 C199 120.0 . . ?
C206 C205 C210 120.8(9) . . ?
C206 C205 C170 120.0(10) . . ?
C210 C205 C170 119.0(10) . . ?
C205 C206 O16 119.8(9) . . ?
C205 C206 C207 119.9(11) . . ?
O16 C206 C207 120.2(11) . . ?
C208 C207 C206 118.3(12) . . ?
C208 C207 H137 120.9 . . ?
C206 C207 H137 120.9 . . ?
C207 C208 C209 121.1(10) . . ?
C207 C208 O17 116.5(11) . . ?
C209 C208 O17 122.3(10) . . ?
C210 C209 C208 121.0(11) . . ?
C210 C209 H138 119.5 . . ?
C208 C209 H138 119.5 . . ?
C209 C210 O18 124.5(10) . . ?
C209 C210 C205 118.8(11) . . ?
O18 C210 C205 116.6(9) . . ?
C206 O16 C211 115.5(9) . . ?
O16 C211 H101 109.5 . . ?
O16 C211 H102 109.5 . . ?
H101 C211 H102 109.5 . . ?
O16 C211 H103 109.5 . . ?
H101 C211 H103 109.5 . . ?
H102 C211 H103 109.5 . . ?
C208 O17 C212 119.9(10) . . ?
O17 C212 H104 109.5 . . ?
O17 C212 H105 109.5 . . ?
H104 C212 H105 109.5 . . ?
O17 C212 H106 109.5 . . ?
H104 C212 H106 109.5 . . ?
H105 C212 H106 109.5 . . ?
C210 O18 C213 116.6(8) . . ?
O18 C213 H107 109.5 . . ?
O18 C213 H108 109.5 . . ?
H107 C213 H108 109.5 . . ?
O18 C213 H109 109.5 . . ?
H107 C213 H109 109.5 . . ?
H108 C213 H109 109.5 . . ?
C219 C214 C215 119.8(10) . . ?
C219 C214 C175 120.7(9) . . ?
C215 C214 C175 119.2(10) . . ?
F46 C215 C214 123.4(10) . . ?
F46 C215 C216 117.9(10) . . ?
C214 C215 C216 118.2(11) . . ?
C217 C216 F47 122.1(11) . . ?
C217 C216 C215 119.7(11) . . ?
F47 C216 C215 118.2(11) . . ?
C216 C217 F48 120.2(11) . . ?
C216 C217 C218 122.9(11) . . ?
F48 C217 C218 116.6(11) . . ?
F49 C218 C219 124.7(11) . . ?
F49 C218 C217 119.7(11) . . ?
C219 C218 C217 115.5(11) . . ?
C214 C219 F50 121.8(10) . . ?
C214 C219 C218 123.6(10) . . ?
F50 C219 C218 114.5(10) . . ?
C221 C220 C225 120.0 . . ?
C221 C220 C184 119.9(7) . . ?
C225 C220 C184 119.6(7) . . ?
F51 C221 C220 122.5(8) . . ?
F51 C221 C222 117.5(8) . . ?
C220 C221 C222 120.0 . . ?
F52 C222 C223 124.0(8) . . ?
F52 C222 C221 115.3(8) . . ?
C223 C222 C221 120.0 . . ?
F53 C223 C222 120.3(9) . . ?
F53 C223 C224 119.7(9) . . ?
C222 C223 C224 120.0 . . ?
F54 C224 C225 120.7(8) . . ?
F54 C224 C223 119.3(8) . . ?
C225 C224 C223 120.0 . . ?
F55 C225 C224 116.0(7) . . ?
F55 C225 C220 124.0(7) . . ?
C224 C225 C220 120.0 . . ?
C231 C226 C227 119.7(12) . . ?
C231 C226 C189 118.3(12) . . ?
C227 C226 C189 121.9(12) . . ?
O19 C227 C226 116.8(12) . . ?
O19 C227 C228 124.3(12) . . ?
C226 C227 C228 118.7(13) . . ?
C229 C228 C227 122.8(14) . . ?
C229 C228 H139 118.6 . . ?
C227 C228 H139 118.6 . . ?
C228 C229 C230 120.3(14) . . ?
C228 C229 O20 115.1(13) . . ?
C230 C229 O20 124.5(13) . . ?
C229 C230 C231 118.3(14) . . ?
C229 C230 H140 120.8 . . ?
C231 C230 H140 120.8 . . ?
C226 C231 O21 116.1(12) . . ?
C226 C231 C230 119.9(13) . . ?
O21 C231 C230 123.6(13) . . ?
C227 O19 C232 117.0(10) . . ?
O19 C232 H110 109.5 . . ?
O19 C232 H111 109.5 . . ?
H110 C232 H111 109.5 . . ?
O19 C232 H112 109.5 . . ?
H110 C232 H112 109.5 . . ?
H111 C232 H112 109.5 . . ?
C233 O20 C229 111.7(12) . . ?
O20 C233 H113 109.5 . . ?
O20 C233 H114 109.5 . . ?
H113 C233 H114 109.5 . . ?
O20 C233 H115 109.5 . . ?
H113 C233 H115 109.5 . . ?
H114 C233 H115 109.5 . . ?
C231 O21 C234 120.2(11) . . ?
O21 C234 H116 109.5 . . ?
O21 C234 H117 109.5 . . ?
H116 C234 H117 109.5 . . ?
O21 C234 H118 109.5 . . ?
H116 C234 H118 109.5 . . ?
H117 C234 H118 109.5 . . ?
C236 C235 C240 120.0 . . ?
C236 C235 C194 120.6(6) . . ?
C240 C235 C194 119.2(6) . . ?
F56 C236 C237 117.6(6) . . ?
F56 C236 C235 122.3(6) . . ?
C237 C236 C235 120.0 . . ?
F57 C237 C236 120.3(7) . . ?
F57 C237 C238 119.7(7) . . ?
C236 C237 C238 120.0 . . ?
F58 C238 C239 118.0(7) . . ?
F58 C238 C237 122.0(7) . . ?
C239 C238 C237 120.0 . . ?
F59 C239 C240 121.1(7) . . ?
F59 C239 C238 118.9(7) . . ?
C240 C239 C238 120.0 . . ?
F60 C240 C239 118.6(6) . . ?
F60 C240 C235 121.3(6) . . ?
C239 C240 C235 120.0 . . ?
N25 C241 C259 110.6(9) . . ?
N25 C241 C242 110.8(9) . . ?
C259 C241 C242 138.2(10) . . ?
C243 C242 C241 107.3(10) . . ?
C243 C242 H33 126.4 . . ?
C241 C242 H33 126.4 . . ?
C242 C243 C244 107.5(10) . . ?
C242 C243 H34 126.2 . . ?
C244 C243 H34 126.2 . . ?
C245 C244 N25 121.3(9) . . ?
C245 C244 C243 132.0(10) . . ?
N25 C244 C243 106.7(9) . . ?
C244 C245 C246 118.2(10) . . ?
C244 C245 C294 119.6(10) . . ?
C246 C245 C294 122.0(9) . . ?
C247 C246 N26 109.7(9) . . ?
C247 C246 C245 123.6(9) . . ?
N26 C246 C245 126.4(9) . . ?
C248 C247 C246 107.9(10) . . ?
C248 C247 H35 126.1 . . ?
C246 C247 H35 126.1 . . ?
C247 C248 C249 106.5(9) . . ?
C247 C248 H36 126.8 . . ?
C249 C248 H36 126.8 . . ?
N26 C249 C248 111.8(9) . . ?
N26 C249 C250 125.8(9) . . ?
C248 C249 C250 121.4(8) . . ?
C251 C250 C285 125.3(10) . . ?
C251 C250 C249 116.3(9) . . ?
C285 C250 C249 117.8(9) . . ?
N27 C251 C250 127.8(10) . . ?
N27 C251 C252 111.5(9) . . ?
C250 C251 C252 119.5(9) . . ?
C251 C252 C253 107.9(9) . . ?
C251 C252 H37 126.0 . . ?
C253 C252 H37 126.0 . . ?
C254 C253 C252 102.8(9) . . ?
C254 C253 H38 128.6 . . ?
C252 C253 H38 128.6 . . ?
C253 C254 N27 113.0(9) . . ?
C253 C254 C255 123.5(10) . . ?
N27 C254 C255 123.5(9) . . ?
C256 C255 C254 119.2(10) . . ?
C256 C255 C279 121.2(9) . . ?
C254 C255 C279 119.1(10) . . ?
N28 C256 C257 110.3(9) . . ?
N28 C256 C255 119.3(9) . . ?
C257 C256 C255 128.6(10) . . ?
C258 C257 C256 106.6(10) . . ?
C258 C257 H39 126.7 . . ?
C256 C257 H39 126.7 . . ?
C257 C258 C259 103.8(10) . . ?
C257 C258 H40 128.1 . . ?
C259 C258 H40 128.1 . . ?
N28 C259 C241 112.6(9) . . ?
N28 C259 C258 110.8(10) . . ?
C241 C259 C258 136.1(10) . . ?
C241 N25 C244 107.0(8) . . ?
C241 N25 Si7 118.8(7) . . ?
C244 N25 Si7 134.1(7) . . ?
C249 N26 C246 104.1(8) . . ?
C249 N26 Si7 127.1(7) . . ?
C246 N26 Si7 128.1(7) . . ?
C251 N27 C254 103.6(8) . . ?
C251 N27 Si7 126.8(7) . . ?
C254 N27 Si7 128.8(7) . . ?
C256 N28 C259 106.8(8) . . ?
C256 N28 Si7 135.0(7) . . ?
C259 N28 Si7 115.8(7) . . ?
O22 Si7 N27 101.3(4) . . ?
O22 Si7 N25 103.7(4) . . ?
N27 Si7 N25 153.5(4) . . ?
O22 Si7 N26 106.5(4) . . ?
N27 Si7 N26 92.4(4) . . ?
N25 Si7 N26 88.7(4) . . ?
O22 Si7 N28 100.4(4) . . ?
N27 Si7 N28 86.7(4) . . ?
N25 Si7 N28 80.5(4) . . ?
N26 Si7 N28 152.7(4) . . ?
Si7 O22 Si8 156.1(4) . . ?
O22 Si8 N31 100.8(3) . . ?
O22 Si8 N29 106.4(4) . . ?
N31 Si8 N29 152.1(4) . . ?
O22 Si8 N30 105.3(3) . . ?
N31 Si8 N30 91.4(3) . . ?
N29 Si8 N30 87.5(3) . . ?
O22 Si8 N32 106.0(4) . . ?
N31 Si8 N32 87.2(4) . . ?
N29 Si8 N32 79.5(4) . . ?
N30 Si8 N32 148.4(4) . . ?
C261 C260 N29 112.7(9) . . ?
C261 C260 C278 140.2(10) . . ?
N29 C260 C278 107.0(9) . . ?
C262 C261 C260 103.1(10) . . ?
C262 C261 H41 128.4 . . ?
C260 C261 H41 128.4 . . ?
C261 C262 C263 112.3(10) . . ?
C261 C262 H42 123.8 . . ?
C263 C262 H42 123.8 . . ?
C264 C263 C262 134.0(10) . . ?
C264 C263 N29 119.7(9) . . ?
C262 C263 N29 106.1(9) . . ?
C263 C264 C265 120.7(9) . . ?
C263 C264 C300 120.0(9) . . ?
C265 C264 C300 116.9(9) . . ?
C264 C265 C266 124.5(9) . . ?
C264 C265 N30 124.8(9) . . ?
C266 C265 N30 110.7(8) . . ?
C267 C266 C265 108.4(9) . . ?
C267 C266 H43 125.8 . . ?
C265 C266 H43 125.8 . . ?
C266 C267 C268 105.0(8) . . ?
C266 C267 H44 127.5 . . ?
C268 C267 H44 127.5 . . ?
N30 C268 C267 113.5(8) . . ?
N30 C268 C269 122.3(8) . . ?
C267 C268 C269 123.8(8) . . ?
C270 C269 C268 119.9(9) . . ?
C270 C269 C306 121.7(8) . . ?
C268 C269 C306 118.5(8) . . ?
C269 C270 N31 126.3(8) . . ?
C269 C270 C271 122.6(9) . . ?
N31 C270 C271 111.1(8) . . ?
C272 C271 C270 104.7(8) . . ?
C272 C271 H45 127.7 . . ?
C270 C271 H45 127.7 . . ?
C271 C272 C273 111.3(8) . . ?
C271 C272 H46 124.4 . . ?
C273 C272 H46 124.4 . . ?
C274 C273 N31 127.5(9) . . ?
C274 C273 C272 125.2(9) . . ?
N31 C273 C272 107.2(8) . . ?
C275 C274 C273 120.3(9) . . ?
C275 C274 C315 121.4(9) . . ?
C273 C274 C315 118.3(9) . . ?
C274 C275 C276 130.6(10) . . ?
C274 C275 N32 119.7(9) . . ?
C276 C275 N32 107.7(9) . . ?
C275 C276 C277 107.7(9) . . ?
C275 C276 H47 126.2 . . ?
C277 C276 H47 126.2 . . ?
C278 C277 C276 104.7(10) . . ?
C278 C277 H48 127.7 . . ?
C276 C277 H48 127.7 . . ?
N32 C278 C277 111.8(9) . . ?
N32 C278 C260 112.8(9) . . ?
C277 C278 C260 135.4(10) . . ?
C260 N29 C263 104.9(8) . . ?
C260 N29 Si8 120.1(6) . . ?
C263 N29 Si8 135.0(7) . . ?
C268 N30 C265 102.4(7) . . ?
C268 N30 Si8 128.0(6) . . ?
C265 N30 Si8 128.8(6) . . ?
C270 N31 C273 105.6(7) . . ?
C270 N31 Si8 127.9(6) . . ?
C273 N31 Si8 126.1(7) . . ?
C278 N32 C275 107.3(9) . . ?
C278 N32 Si8 118.1(7) . . ?
C275 N32 Si8 131.9(7) . . ?
C284 C279 C280 117.9(11) . . ?
C284 C279 C255 122.6(11) . . ?
C280 C279 C255 117.9(10) . . ?
C281 C280 C279 127.4(12) . . ?
C281 C280 F61 111.9(11) . . ?
C279 C280 F61 120.7(10) . . ?
F62 C281 C280 124.5(12) . . ?
F62 C281 C282 124.7(11) . . ?
C280 C281 C282 110.5(12) . . ?
C283 C282 C281 126.7(12) . . ?
C283 C282 F63 115.6(12) . . ?
C281 C282 F63 117.2(12) . . ?
C282 C283 F64 123.9(12) . . ?
C282 C283 C284 123.3(12) . . ?
F64 C283 C284 112.5(12) . . ?
F65 C284 C279 122.3(11) . . ?
F65 C284 C283 123.4(11) . . ?
C279 C284 C283 114.2(12) . . ?
C290 C285 C250 124.3(9) . . ?
C290 C285 C286 114.5(9) . . ?
C250 C285 C286 121.1(9) . . ?
C287 C286 O23 123.8(10) . . ?
C287 C286 C285 122.8(10) . . ?
O23 C286 C285 113.1(9) . . ?
C286 C287 C288 121.3(10) . . ?
C286 C287 H141 119.4 . . ?
C288 C287 H141 119.4 . . ?
C287 C288 O24 128.3(10) . . ?
C287 C288 C289 121.1(9) . . ?
O24 C288 C289 110.6(9) . . ?
C290 C289 C288 113.2(9) . . ?
C290 C289 H142 123.4 . . ?
C288 C289 H142 123.4 . . ?
O25 C290 C285 113.4(8) . . ?
O25 C290 C289 119.6(9) . . ?
C285 C290 C289 127.0(9) . . ?
C286 O23 C291 118.7(8) . . ?
O23 C291 H119 109.5 . . ?
O23 C291 H120 109.5 . . ?
H119 C291 H120 109.5 . . ?
O23 C291 H121 109.5 . . ?
H119 C291 H121 109.5 . . ?
H120 C291 H121 109.5 . . ?
C288 O24 C292 113.4(8) . . ?
O24 C292 H122 109.5 . . ?
O24 C292 H123 109.5 . . ?
H122 C292 H123 109.5 . . ?
O24 C292 H124 109.5 . . ?
H122 C292 H124 109.5 . . ?
H123 C292 H124 109.5 . . ?
C290 O25 C293 117.1(7) . . ?
O25 C293 H125 109.5 . . ?
O25 C293 H126 109.5 . . ?
H125 C293 H126 109.5 . . ?
O25 C293 H127 109.5 . . ?
H125 C293 H127 109.5 . . ?
H126 C293 H127 109.5 . . ?
C299 C294 C295 118.0(11) . . ?
C299 C294 C245 122.8(11) . . ?
C295 C294 C245 119.1(12) . . ?
F66 C295 C294 122.8(12) . . ?
F66 C295 C296 117.6(12) . . ?
C294 C295 C296 119.3(13) . . ?
C297 C296 F67 119.6(11) . . ?
C297 C296 C295 122.4(13) . . ?
F67 C296 C295 118.0(13) . . ?
F68 C297 C296 120.6(13) . . ?
F68 C297 C298 121.2(14) . . ?
C296 C297 C298 118.3(12) . . ?
F69 C298 C299 120.6(13) . . ?
F69 C298 C297 119.1(12) . . ?
C299 C298 C297 120.0(14) . . ?
F70 C299 C294 120.3(10) . . ?
F70 C299 C298 117.8(12) . . ?
C294 C299 C298 121.8(12) . . ?
C305 C300 C301 120.0(11) . . ?
C305 C300 C264 121.5(11) . . ?
C301 C300 C264 118.5(11) . . ?
C300 C301 F71 126.3(10) . . ?
C300 C301 C302 123.5(13) . . ?
F71 C301 C302 110.2(11) . . ?
F72 C302 C303 124.1(11) . . ?
F72 C302 C301 123.5(13) . . ?
C303 C302 C301 112.4(12) . . ?
C304 C303 F73 120.9(13) . . ?
C304 C303 C302 123.7(11) . . ?
F73 C303 C302 115.3(12) . . ?
C303 C304 F74 125.8(11) . . ?
C303 C304 C305 120.2(13) . . ?
F74 C304 C305 113.8(12) . . ?
C300 C305 F75 123.5(10) . . ?
C300 C305 C304 120.1(13) . . ?
F75 C305 C304 116.4(11) . . ?
C311 C306 C307 117.1(8) . . ?
C311 C306 C269 123.7(9) . . ?
C307 C306 C269 118.3(8) . . ?
O26 C307 C308 126.4(9) . . ?
O26 C307 C306 115.0(8) . . ?
C308 C307 C306 118.5(9) . . ?
C309 C308 C307 120.1(9) . . ?
C309 C308 H143 120.0 . . ?
C307 C308 H143 120.0 . . ?
C310 C309 C308 122.4(9) . . ?
C310 C309 O27 117.8(9) . . ?
C308 C309 O27 119.8(9) . . ?
C309 C310 C311 120.2(9) . . ?
C309 C310 H144 119.9 . . ?
C311 C310 H144 119.9 . . ?
C306 C311 O28 114.5(8) . . ?
C306 C311 C310 121.7(9) . . ?
O28 C311 C310 123.8(8) . . ?
C307 O26 C312 120.6(8) . . ?
O26 C312 H128 109.5 . . ?
O26 C312 H129 109.5 . . ?
H128 C312 H129 109.5 . . ?
O26 C312 H130 109.5 . . ?
H128 C312 H130 109.5 . . ?
H129 C312 H130 109.5 . . ?
C309 O27 C313 117.1(9) . . ?
O27 C313 H131 109.5 . . ?
O27 C313 H132 109.5 . . ?
H131 C313 H132 109.5 . . ?
O27 C313 H133 109.5 . . ?
H131 C313 H133 109.5 . . ?
H132 C313 H133 109.5 . . ?
C311 O28 C314 117.3(7) . . ?
O28 C314 H134 109.5 . . ?
O28 C314 H135 109.5 . . ?
H134 C314 H135 109.5 . . ?
O28 C314 H136 109.5 . . ?
H134 C314 H136 109.5 . . ?
H135 C314 H136 109.5 . . ?
C316 C315 C320 117.6(9) . . ?
C316 C315 C274 122.9(9) . . ?
C320 C315 C274 119.5(9) . . ?
F76 C316 C317 122.3(10) . . ?
F76 C316 C315 118.9(9) . . ?
C317 C316 C315 118.5(10) . . ?
F77 C317 C318 119.6(10) . . ?
F77 C317 C316 118.4(10) . . ?
C318 C317 C316 121.9(11) . . ?
C319 C318 F78 120.6(10) . . ?
C319 C318 C317 120.2(10) . . ?
F78 C318 C317 119.2(11) . . ?
C318 C319 C320 120.3(10) . . ?
C318 C319 F79 120.8(9) . . ?
C320 C319 F79 118.2(10) . . ?
C319 C320 F80 120.0(9) . . ?
C319 C320 C315 121.1(10) . . ?
F80 C320 C315 118.8(9) . . ?
C376 C375 C380 120.0 . . ?
C376 C375 C165 118.4(10) . . ?
C380 C375 C165 121.6(10) . . ?
C377 C376 C375 120.0 . . ?
C377 C376 F86 116.3(11) . . ?
C375 C376 F86 123.3(11) . . ?
F87 C377 C376 116.8(12) . . ?
F87 C377 C378 122.7(12) . . ?
C376 C377 C378 120.0 . . ?
F88 C378 C379 123.6(13) . . ?
F88 C378 C377 116.2(13) . . ?
C379 C378 C377 120.0 . . ?
F89 C379 C378 116.9(12) . . ?
F89 C379 C380 123.0(12) . . ?
C378 C379 C380 120.0 . . ?
C379 C380 C375 120.0 . . ?
C379 C380 F90 118.1(11) . . ?
C375 C380 F90 121.9(11) . . ?
C374 C369 C370 120.0 . . ?
C374 C369 C114 119.4(12) . . ?
C370 C369 C114 120.5(12) . . ?
F81 C370 C371 117.6(14) . . ?
F81 C370 C369 122.4(14) . . ?
C371 C370 C369 120.0 . . ?
C370 C371 C372 120.0 . . ?
C370 C371 F82 116.1(13) . . ?
C372 C371 F82 123.8(13) . . ?
C373 C372 C371 120.0 . . ?
C373 C372 F83 125.4(14) . . ?
C371 C372 F83 114.6(14) . . ?
F84 C373 C372 114.8(14) . . ?
F84 C373 C374 125.0(14) . . ?
C372 C373 C374 120.0 . . ?
F85 C374 C373 117.5(14) . . ?
F85 C374 C369 122.4(14) . . ?
C373 C374 C369 120.0 . . ?
F94 C381 C382 115.0(14) . . ?
F94 C381 C386 125.0(14) . . ?
C382 C381 C386 120.0 . . ?
F93 C382 C381 123.4(13) . . ?
F93 C382 C383 116.6(13) . . ?
C381 C382 C383 120.0 . . ?
C384 C383 C382 120.0 . . ?
C384 C383 F92 117.5(13) . . ?
C382 C383 F92 122.4(13) . . ?
F91 C384 C383 121.2(12) . . ?
F91 C384 C385 118.7(12) . . ?
C383 C384 C385 120.0 . . ?
F95 C385 C386 120.6(14) . . ?
F95 C385 C384 119.4(13) . . ?
C386 C385 C384 120.0 . . ?
C385 C386 C381 120.0 . . ?
C385 C386 C85 120.8(12) . . ?
C381 C386 C85 119.0(12) . . ?

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
C19 C1 C2 C3 176.4(14) . . . . ?
N1 C1 C2 C3 -4.0(12) . . . . ?
C1 C2 C3 C4 6.1(12) . . . . ?
C2 C3 C4 N1 -6.3(13) . . . . ?
C2 C3 C4 C5 -175.1(11) . . . . ?
N1 C4 C5 C6 2.0(17) . . . . ?
C3 C4 C5 C6 170.1(12) . . . . ?
N1 C4 C5 C39 -174.0(10) . . . . ?
C3 C4 C5 C39 -5.8(18) . . . . ?
C4 C5 C6 C7 -176.5(11) . . . . ?
C39 C5 C6 C7 -0.7(19) . . . . ?
C4 C5 C6 N2 -0.5(18) . . . . ?
C39 C5 C6 N2 175.3(10) . . . . ?
C5 C6 C7 C8 174.2(12) . . . . ?
N2 C6 C7 C8 -2.4(12) . . . . ?
C6 C7 C8 C9 -2.0(13) . . . . ?
C7 C8 C9 C10 179.5(12) . . . . ?
C7 C8 C9 N2 5.4(12) . . . . ?
C8 C9 C10 C11 173.5(12) . . . . ?
N2 C9 C10 C11 -13.1(19) . . . . ?
C8 C9 C10 C45 6.3(19) . . . . ?
N2 C9 C10 C45 179.7(9) . . . . ?
C9 C10 C11 C12 -178.8(12) . . . . ?
C45 C10 C11 C12 -11.2(18) . . . . ?
C9 C10 C11 N3 14.2(19) . . . . ?
C45 C10 C11 N3 -178.2(9) . . . . ?
C10 C11 C12 C13 -177.4(13) . . . . ?
N3 C11 C12 C13 -9.2(13) . . . . ?
C11 C12 C13 C14 8.3(14) . . . . ?
C12 C13 C14 C15 179.2(12) . . . . ?
C12 C13 C14 N3 -4.3(13) . . . . ?
N3 C14 C15 C16 -8.6(19) . . . . ?
C13 C14 C15 C16 167.1(11) . . . . ?
N3 C14 C15 C54 170.9(11) . . . . ?
C13 C14 C15 C54 -13.4(19) . . . . ?
C14 C15 C16 N4 11.7(17) . . . . ?
C54 C15 C16 N4 -167.8(10) . . . . ?
C14 C15 C16 C17 177.7(12) . . . . ?
C54 C15 C16 C17 -2(2) . . . . ?
C15 C16 C17 C18 177.1(13) . . . . ?
N4 C16 C17 C18 -15.5(12) . . . . ?
C16 C17 C18 C19 15.7(13) . . . . ?
C2 C1 C19 C18 -9(3) . . . . ?
N1 C1 C19 C18 171.0(14) . . . . ?
C2 C1 C19 N4 -178.0(13) . . . . ?
N1 C1 C19 N4 2.4(13) . . . . ?
C17 C18 C19 C1 -178.7(14) . . . . ?
C17 C18 C19 N4 -10.1(13) . . . . ?
C3 C4 N1 C1 3.7(12) . . . . ?
C5 C4 N1 C1 174.1(10) . . . . ?
C3 C4 N1 Si1 171.7(8) . . . . ?
C5 C4 N1 Si1 -17.9(17) . . . . ?
C19 C1 N1 C4 -179.9(9) . . . . ?
C2 C1 N1 C4 0.3(12) . . . . ?
C19 C1 N1 Si1 9.2(12) . . . . ?
C2 C1 N1 Si1 -170.5(7) . . . . ?
C5 C6 N2 C9 -171.3(11) . . . . ?
C7 C6 N2 C9 5.4(11) . . . . ?
C5 C6 N2 Si1 12.6(17) . . . . ?
C7 C6 N2 Si1 -170.7(7) . . . . ?
C10 C9 N2 C6 178.5(10) . . . . ?
C8 C9 N2 C6 -6.6(11) . . . . ?
C10 C9 N2 Si1 -5.3(15) . . . . ?
C8 C9 N2 Si1 169.5(7) . . . . ?
C15 C14 N3 C11 174.7(12) . . . . ?
C13 C14 N3 C11 -1.6(12) . . . . ?
C15 C14 N3 Si1 -11.8(17) . . . . ?
C13 C14 N3 Si1 171.9(7) . . . . ?
C10 C11 N3 C14 176.2(10) . . . . ?
C12 C11 N3 C14 6.3(12) . . . . ?
C10 C11 N3 Si1 3.0(15) . . . . ?
C12 C11 N3 Si1 -167.0(8) . . . . ?
C6 N2 Si1 O1 86.8(9) . . . . ?
C9 N2 Si1 O1 -88.5(9) . . . . ?
C6 N2 Si1 N4 -78.1(13) . . . . ?
C9 N2 Si1 N4 106.7(12) . . . . ?
C6 N2 Si1 N1 -17.7(9) . . . . ?
C9 N2 Si1 N1 167.0(9) . . . . ?
C6 N2 Si1 N3 -169.6(9) . . . . ?
C9 N2 Si1 N3 15.2(9) . . . . ?
C4 N1 Si1 O1 -79.6(11) . . . . ?
C1 N1 Si1 O1 87.5(8) . . . . ?
C4 N1 Si1 N4 179.5(12) . . . . ?
C1 N1 Si1 N4 -13.3(8) . . . . ?
C4 N1 Si1 N2 22.5(11) . . . . ?
C1 N1 Si1 N2 -170.3(8) . . . . ?
C4 N1 Si1 N3 110.3(12) . . . . ?
C1 N1 Si1 N3 -82.5(11) . . . . ?
C14 N3 Si1 O1 -82.3(9) . . . . ?
C11 N3 Si1 O1 89.8(9) . . . . ?
C14 N3 Si1 N4 20.3(9) . . . . ?
C11 N3 Si1 N4 -167.6(9) . . . . ?
C14 N3 Si1 N2 173.9(9) . . . . ?
C11 N3 Si1 N2 -14.1(10) . . . . ?
C14 N3 Si1 N1 87.9(12) . . . . ?
C11 N3 Si1 N1 -100.1(11) . . . . ?
C1 C19 N4 C16 172.3(9) . . . . ?
C18 C19 N4 C16 0.0(12) . . . . ?
C1 C19 N4 Si1 -14.0(12) . . . . ?
C18 C19 N4 Si1 173.8(8) . . . . ?
C15 C16 N4 C19 178.5(11) . . . . ?
C17 C16 N4 C19 9.2(12) . . . . ?
C15 C16 N4 Si1 6.2(17) . . . . ?
C17 C16 N4 Si1 -163.1(8) . . . . ?
O1 Si1 N4 C19 -88.2(8) . . . . ?
N2 Si1 N4 C19 76.6(13) . . . . ?
N1 Si1 N4 C19 15.4(8) . . . . ?
N3 Si1 N4 C19 169.2(8) . . . . ?
O1 Si1 N4 C16 83.3(11) . . . . ?
N2 Si1 N4 C16 -111.9(12) . . . . ?
N1 Si1 N4 C16 -173.1(11) . . . . ?
N3 Si1 N4 C16 -19.3(11) . . . . ?
N4 Si1 O1 Si2 48.8(12) . . . . ?
N2 Si1 O1 Si2 -124.4(11) . . . . ?
N1 Si1 O1 Si2 -35.4(12) . . . . ?
N3 Si1 O1 Si2 139.8(11) . . . . ?
Si1 O1 Si2 N8 67.5(11) . . . . ?
Si1 O1 Si2 N6 -106.9(11) . . . . ?
Si1 O1 Si2 N5 -15.5(12) . . . . ?
Si1 O1 Si2 N7 157.1(11) . . . . ?
C38 C20 C21 C22 178.9(13) . . . . ?
N5 C20 C21 C22 7.4(12) . . . . ?
C20 C21 C22 C23 -8.9(12) . . . . ?
C21 C22 C23 N5 7.8(12) . . . . ?
C21 C22 C23 C24 -165.7(11) . . . . ?
N5 C23 C24 C25 7.3(15) . . . . ?
C22 C23 C24 C25 -179.7(11) . . . . ?
N5 C23 C24 C60 -171.6(9) . . . . ?
C22 C23 C24 C60 1.4(17) . . . . ?
C23 C24 C25 N6 -6.6(17) . . . . ?
C60 C24 C25 N6 172.3(10) . . . . ?
C23 C24 C25 C26 -177.8(10) . . . . ?
C60 C24 C25 C26 1.1(17) . . . . ?
C24 C25 C26 C27 173.7(11) . . . . ?
N6 C25 C26 C27 1.1(13) . . . . ?
C25 C26 C27 C28 -3.7(13) . . . . ?
C26 C27 C28 C29 -173.6(12) . . . . ?
C26 C27 C28 N6 4.9(13) . . . . ?
C27 C28 C29 C30 169.8(11) . . . . ?
N6 C28 C29 C30 -8.5(18) . . . . ?
C27 C28 C29 C66 4.8(18) . . . . ?
N6 C28 C29 C66 -173.6(10) . . . . ?
C28 C29 C30 C31 -173.9(12) . . . . ?
C66 C29 C30 C31 -7.9(17) . . . . ?
C28 C29 C30 N7 9.0(17) . . . . ?
C66 C29 C30 N7 174.9(9) . . . . ?
N7 C30 C31 C32 5.4(13) . . . . ?
C29 C30 C31 C32 -172.0(11) . . . . ?
C30 C31 C32 C33 -2.6(13) . . . . ?
C31 C32 C33 C34 -171.8(10) . . . . ?
C31 C32 C33 N7 -1.1(12) . . . . ?
C32 C33 C34 C35 169.5(10) . . . . ?
N7 C33 C34 C35 0.0(17) . . . . ?
C32 C33 C34 C75 -6.8(17) . . . . ?
N7 C33 C34 C75 -176.3(10) . . . . ?
C33 C34 C35 N8 7.5(16) . . . . ?
C75 C34 C35 N8 -176.2(10) . . . . ?
C33 C34 C35 C36 -177.6(11) . . . . ?
C75 C34 C35 C36 -1.3(18) . . . . ?
N8 C35 C36 C37 -10.2(12) . . . . ?
C34 C35 C36 C37 174.6(11) . . . . ?
C35 C36 C37 C38 9.2(13) . . . . ?
N5 C20 C38 C37 173.1(14) . . . . ?
C21 C20 C38 C37 2(3) . . . . ?
N5 C20 C38 N8 -1.6(13) . . . . ?
C21 C20 C38 N8 -172.7(12) . . . . ?
C36 C37 C38 C20 -179.8(15) . . . . ?
C36 C37 C38 N8 -5.1(13) . . . . ?
C24 C23 N5 C20 171.0(9) . . . . ?
C22 C23 N5 C20 -3.3(11) . . . . ?
C24 C23 N5 Si2 -17.8(16) . . . . ?
C22 C23 N5 Si2 167.9(8) . . . . ?
C38 C20 N5 C23 -175.9(9) . . . . ?
C21 C20 N5 C23 -2.3(11) . . . . ?
C38 C20 N5 Si2 10.9(12) . . . . ?
C21 C20 N5 Si2 -175.5(7) . . . . ?
O1 Si2 N5 C23 -84.9(11) . . . . ?
N8 Si2 N5 C23 177.3(11) . . . . ?
N6 Si2 N5 C23 18.9(11) . . . . ?
N7 Si2 N5 C23 109.9(11) . . . . ?
O1 Si2 N5 C20 85.6(8) . . . . ?
N8 Si2 N5 C20 -12.2(7) . . . . ?
N6 Si2 N5 C20 -170.6(8) . . . . ?
N7 Si2 N5 C20 -79.6(11) . . . . ?
C24 C25 N6 C28 -170.5(11) . . . . ?
C26 C25 N6 C28 1.9(12) . . . . ?
C24 C25 N6 Si2 13.8(17) . . . . ?
C26 C25 N6 Si2 -173.8(8) . . . . ?
C29 C28 N6 C25 174.6(11) . . . . ?
C27 C28 N6 C25 -4.1(12) . . . . ?
C29 C28 N6 Si2 -9.6(16) . . . . ?
C27 C28 N6 Si2 171.8(7) . . . . ?
O1 Si2 N6 C25 92.6(10) . . . . ?
N8 Si2 N6 C25 -74.3(14) . . . . ?
N5 Si2 N6 C25 -15.1(10) . . . . ?
N7 Si2 N6 C25 -165.5(9) . . . . ?
O1 Si2 N6 C28 -82.4(9) . . . . ?
N8 Si2 N6 C28 110.7(11) . . . . ?
N5 Si2 N6 C28 170.0(9) . . . . ?
N7 Si2 N6 C28 19.5(9) . . . . ?
C34 C33 N7 C30 174.7(10) . . . . ?
C32 C33 N7 C30 4.0(11) . . . . ?
C34 C33 N7 Si2 -22.3(15) . . . . ?
C32 C33 N7 Si2 167.1(7) . . . . ?
C31 C30 N7 C33 -5.7(12) . . . . ?
C29 C30 N7 C33 171.9(9) . . . . ?
C31 C30 N7 Si2 -168.8(8) . . . . ?
C29 C30 N7 Si2 8.8(14) . . . . ?
O1 Si2 N7 C33 -73.4(9) . . . . ?
N8 Si2 N7 C33 26.6(9) . . . . ?
N6 Si2 N7 C33 -178.4(9) . . . . ?
N5 Si2 N7 C33 92.2(11) . . . . ?
O1 Si2 N7 C30 85.6(9) . . . . ?
N8 Si2 N7 C30 -174.4(9) . . . . ?
N6 Si2 N7 C30 -19.4(9) . . . . ?
N5 Si2 N7 C30 -108.7(10) . . . . ?
C36 C35 N8 C38 6.9(12) . . . . ?
C34 C35 N8 C38 -177.0(9) . . . . ?
C36 C35 N8 Si2 -168.2(8) . . . . ?
C34 C35 N8 Si2 7.9(16) . . . . ?
C20 C38 N8 C35 175.3(9) . . . . ?
C37 C38 N8 C35 -1.4(12) . . . . ?
C20 C38 N8 Si2 -8.7(12) . . . . ?
C37 C38 N8 Si2 174.7(7) . . . . ?
O1 Si2 N8 C35 79.7(11) . . . . ?
N6 Si2 N8 C35 -113.2(12) . . . . ?
N5 Si2 N8 C35 -173.7(11) . . . . ?
N7 Si2 N8 C35 -20.8(11) . . . . ?
O1 Si2 N8 C38 -94.9(8) . . . . ?
N6 Si2 N8 C38 72.1(12) . . . . ?
N5 Si2 N8 C38 11.6(8) . . . . ?
N7 Si2 N8 C38 164.6(8) . . . . ?
C6 C5 C39 C40 62.6(16) . . . . ?
C4 C5 C39 C40 -121.4(12) . . . . ?
C6 C5 C39 C44 -115.6(13) . . . . ?
C4 C5 C39 C44 60.4(15) . . . . ?
C44 C39 C40 F1 177.8(10) . . . . ?
C5 C39 C40 F1 -0.6(17) . . . . ?
C44 C39 C40 C41 -3.6(17) . . . . ?
C5 C39 C40 C41 178.0(11) . . . . ?
F1 C40 C41 C42 -179.0(11) . . . . ?
C39 C40 C41 C42 2(2) . . . . ?
F1 C40 C41 F2 -3.3(17) . . . . ?
C39 C40 C41 F2 178.1(11) . . . . ?
F2 C41 C42 F3 5.5(19) . . . . ?
C40 C41 C42 F3 -178.9(11) . . . . ?
F2 C41 C42 C43 -175.9(11) . . . . ?
C40 C41 C42 C43 0(2) . . . . ?
C41 C42 C43 F4 -177.4(12) . . . . ?
F3 C42 C43 F4 1.2(18) . . . . ?
C41 C42 C43 C44 -0.1(19) . . . . ?
F3 C42 C43 C44 178.5(11) . . . . ?
F4 C43 C44 F5 0.1(18) . . . . ?
C42 C43 C44 F5 -177.3(11) . . . . ?
F4 C43 C44 C39 175.8(11) . . . . ?
C42 C43 C44 C39 -1.5(18) . . . . ?
C40 C39 C44 F5 178.9(10) . . . . ?
C5 C39 C44 F5 -2.8(17) . . . . ?
C40 C39 C44 C43 3.2(17) . . . . ?
C5 C39 C44 C43 -178.5(11) . . . . ?
C9 C10 C45 C50 89.5(14) . . . . ?
C11 C10 C45 C50 -79.5(14) . . . . ?
C9 C10 C45 C46 -82.2(14) . . . . ?
C11 C10 C45 C46 108.7(12) . . . . ?
C50 C45 C46 C47 6.2(17) . . . . ?
C10 C45 C46 C47 178.2(10) . . . . ?
C50 C45 C46 O2 -175.9(10) . . . . ?
C10 C45 C46 O2 -3.9(15) . . . . ?
O2 C46 C47 C48 176.9(12) . . . . ?
C45 C46 C47 C48 -5.6(19) . . . . ?
C46 C47 C48 O3 -174.6(12) . . . . ?
C46 C47 C48 C49 4(2) . . . . ?
C47 C48 C49 C50 -2.2(18) . . . . ?
O3 C48 C49 C50 176.2(10) . . . . ?
C46 C45 C50 O4 178.7(10) . . . . ?
C10 C45 C50 O4 7.3(17) . . . . ?
C46 C45 C50 C49 -5.3(17) . . . . ?
C10 C45 C50 C49 -176.7(10) . . . . ?
C48 C49 C50 O4 178.8(11) . . . . ?
C48 C49 C50 C45 3.1(17) . . . . ?
C47 C46 O2 C51 -12.6(18) . . . . ?
C45 C46 O2 C51 169.8(10) . . . . ?
C47 C48 O3 C52 170.0(12) . . . . ?
C49 C48 O3 C52 -8.4(17) . . . . ?
C45 C50 O4 C53 -173.5(12) . . . . ?
C49 C50 O4 C53 10.6(17) . . . . ?
C16 C15 C54 C59 123.3(14) . . . . ?
C14 C15 C54 C59 -56.2(18) . . . . ?
C16 C15 C54 C55 -56.9(18) . . . . ?
C14 C15 C54 C55 123.6(14) . . . . ?
C59 C54 C55 C56 -8(2) . . . . ?
C15 C54 C55 C56 171.7(15) . . . . ?
C59 C54 C55 F6 177.2(11) . . . . ?
C15 C54 C55 F6 -2.6(19) . . . . ?
F6 C55 C56 F7 2(2) . . . . ?
C54 C55 C56 F7 -172.1(14) . . . . ?
F6 C55 C56 C57 -179.1(12) . . . . ?
C54 C55 C56 C57 6(2) . . . . ?
C55 C56 C57 C58 2(2) . . . . ?
F7 C56 C57 C58 -179.8(14) . . . . ?
C55 C56 C57 F8 -162.5(15) . . . . ?
F7 C56 C57 F8 16(2) . . . . ?
F8 C57 C58 C59 156.9(15) . . . . ?
C56 C57 C58 C59 -7(3) . . . . ?
F8 C57 C58 F9 -9(2) . . . . ?
C56 C57 C58 F9 -173.2(12) . . . . ?
C55 C54 C59 F10 179.5(11) . . . . ?
C15 C54 C59 F10 -0.7(19) . . . . ?
C55 C54 C59 C58 2.6(19) . . . . ?
C15 C54 C59 C58 -177.5(12) . . . . ?
C57 C58 C59 F10 -171.3(16) . . . . ?
F9 C58 C59 F10 -5.7(19) . . . . ?
C57 C58 C59 C54 5(3) . . . . ?
F9 C58 C59 C54 171.1(12) . . . . ?
C25 C24 C60 C65 59.5(17) . . . . ?
C23 C24 C60 C65 -121.6(13) . . . . ?
C25 C24 C60 C61 -117.2(13) . . . . ?
C23 C24 C60 C61 61.7(15) . . . . ?
C65 C60 C61 F11 -174.0(10) . . . . ?
C24 C60 C61 F11 3.1(17) . . . . ?
C65 C60 C61 C62 -1.6(18) . . . . ?
C24 C60 C61 C62 175.5(12) . . . . ?
F11 C61 C62 C63 173.1(13) . . . . ?
C60 C61 C62 C63 2(2) . . . . ?
F11 C61 C62 F12 -6.9(19) . . . . ?
C60 C61 C62 F12 -178.6(11) . . . . ?
C61 C62 C63 F13 178.7(13) . . . . ?
F12 C62 C63 F13 -1(2) . . . . ?
C61 C62 C63 C64 -1(2) . . . . ?
F12 C62 C63 C64 179.2(11) . . . . ?
C62 C63 C64 F14 -178.3(12) . . . . ?
F13 C63 C64 F14 2.1(18) . . . . ?
C62 C63 C64 C65 0(2) . . . . ?
F13 C63 C64 C65 -179.1(12) . . . . ?
F14 C64 C65 F15 0(2) . . . . ?
C63 C64 C65 F15 -178.7(11) . . . . ?
F14 C64 C65 C60 177.7(12) . . . . ?
C63 C64 C65 C60 -1(2) . . . . ?
C61 C60 C65 C64 1.4(18) . . . . ?
C24 C60 C65 C64 -175.5(12) . . . . ?
C61 C60 C65 F15 179.2(10) . . . . ?
C24 C60 C65 F15 2.3(18) . . . . ?
C28 C29 C66 C67 79.7(15) . . . . ?
C30 C29 C66 C67 -86.7(13) . . . . ?
C28 C29 C66 C71 -101.6(13) . . . . ?
C30 C29 C66 C71 91.9(12) . . . . ?
C71 C66 C67 O5 179.0(9) . . . . ?
C29 C66 C67 O5 -2.4(15) . . . . ?
C71 C66 C67 C68 -4.5(17) . . . . ?
C29 C66 C67 C68 174.1(10) . . . . ?
C66 C67 C68 C69 2.6(17) . . . . ?
O5 C67 C68 C69 178.8(10) . . . . ?
C67 C68 C69 O6 -179.5(10) . . . . ?
C67 C68 C69 C70 0.3(16) . . . . ?
O6 C69 C70 C71 178.7(10) . . . . ?
C68 C69 C70 C71 -1.2(17) . . . . ?
C69 C70 C71 O7 -176.4(11) . . . . ?
C69 C70 C71 C66 -0.8(17) . . . . ?
C67 C66 C71 O7 179.6(10) . . . . ?
C29 C66 C71 O7 0.9(15) . . . . ?
C67 C66 C71 C70 3.5(17) . . . . ?
C29 C66 C71 C70 -175.2(10) . . . . ?
C66 C67 O5 C72 176.0(9) . . . . ?
C68 C67 O5 C72 -0.5(14) . . . . ?
C68 C69 O6 C73 -2.7(16) . . . . ?
C70 C69 O6 C73 177.4(9) . . . . ?
C70 C71 O7 C74 0.0(17) . . . . ?
C66 C71 O7 C74 -175.9(9) . . . . ?
C33 C34 C75 C76 -63.6(15) . . . . ?
C35 C34 C75 C76 120.0(12) . . . . ?
C33 C34 C75 C80 118.4(13) . . . . ?
C35 C34 C75 C80 -58.0(16) . . . . ?
C80 C75 C76 F16 176.2(10) . . . . ?
C34 C75 C76 F16 -2.0(17) . . . . ?
C80 C75 C76 C77 4.8(18) . . . . ?
C34 C75 C76 C77 -173.5(11) . . . . ?
C75 C76 C77 F17 178.7(11) . . . . ?
F16 C76 C77 F17 6.6(16) . . . . ?
C75 C76 C77 C78 -5.1(18) . . . . ?
F16 C76 C77 C78 -177.2(10) . . . . ?
F17 C77 C78 F18 -0.4(18) . . . . ?
C76 C77 C78 F18 -176.8(10) . . . . ?
F17 C77 C78 C79 176.1(10) . . . . ?
C76 C77 C78 C79 -0.3(17) . . . . ?
F18 C78 C79 F19 0.7(17) . . . . ?
C77 C78 C79 F19 -176.0(11) . . . . ?
F18 C78 C79 C80 -178.0(10) . . . . ?
C77 C78 C79 C80 5.3(18) . . . . ?
C76 C75 C80 F20 174.9(10) . . . . ?
C34 C75 C80 F20 -7.0(18) . . . . ?
C76 C75 C80 C79 0.9(18) . . . . ?
C34 C75 C80 C79 179.0(11) . . . . ?
F19 C79 C80 F20 1.5(17) . . . . ?
C78 C79 C80 F20 -179.8(10) . . . . ?
F19 C79 C80 C75 175.6(11) . . . . ?
C78 C79 C80 C75 -5.7(18) . . . . ?
C99 C81 C82 C83 -174.9(14) . . . . ?
N9 C81 C82 C83 4.8(12) . . . . ?
C81 C82 C83 C84 -3.3(12) . . . . ?
C82 C83 C84 N9 0.6(12) . . . . ?
C82 C83 C84 C85 -178.1(11) . . . . ?
N9 C84 C85 C86 -1.5(15) . . . . ?
C83 C84 C85 C86 177.0(10) . . . . ?
N9 C84 C85 C386 171.4(12) . . . . ?
C83 C84 C85 C386 -10.0(19) . . . . ?
N9 C84 C85 C119 178.8(11) . . . . ?
C83 C84 C85 C119 -2.7(18) . . . . ?
C84 C85 C86 C87 -173.7(10) . . . . ?
C386 C85 C86 C87 12.9(17) . . . . ?
C119 C85 C86 C87 6.0(17) . . . . ?
C84 C85 C86 N10 -0.9(16) . . . . ?
C386 C85 C86 N10 -174.2(12) . . . . ?
C119 C85 C86 N10 178.9(11) . . . . ?
C85 C86 C87 C88 170.2(10) . . . . ?
N10 C86 C87 C88 -3.6(11) . . . . ?
C86 C87 C88 C89 7.9(12) . . . . ?
C87 C88 C89 C90 -175.3(10) . . . . ?
C87 C88 C89 N10 -9.5(12) . . . . ?
C88 C89 C90 C91 171.9(11) . . . . ?
N10 C89 C90 C91 7.1(16) . . . . ?
C88 C89 C90 C125 -9.6(17) . . . . ?
N10 C89 C90 C125 -174.4(10) . . . . ?
C89 C90 C91 N11 2.0(18) . . . . ?
C125 C90 C91 N11 -176.6(11) . . . . ?
C89 C90 C91 C92 -177.8(10) . . . . ?
C125 C90 C91 C92 3.6(17) . . . . ?
N11 C91 C92 C93 3.1(14) . . . . ?
C90 C91 C92 C93 -177.1(11) . . . . ?
C91 C92 C93 C94 -6.3(14) . . . . ?
C92 C93 C94 C95 -174.7(13) . . . . ?
C92 C93 C94 N11 7.0(13) . . . . ?
C93 C94 C95 C96 174.8(12) . . . . ?
N11 C94 C95 C96 -7.3(18) . . . . ?
C93 C94 C95 C134 1.7(19) . . . . ?
N11 C94 C95 C134 179.7(10) . . . . ?
C94 C95 C96 N12 4.4(18) . . . . ?
C134 C95 C96 N12 177.7(10) . . . . ?
C94 C95 C96 C97 -168.4(12) . . . . ?
C134 C95 C96 C97 4.9(19) . . . . ?
C95 C96 C97 C98 170.2(12) . . . . ?
N12 C96 C97 C98 -3.5(12) . . . . ?
C96 C97 C98 C99 4.9(12) . . . . ?
N9 C81 C99 N12 2.1(13) . . . . ?
C82 C81 C99 N12 -178.2(13) . . . . ?
N9 C81 C99 C98 166.8(11) . . . . ?
C82 C81 C99 C98 -13(3) . . . . ?
C97 C98 C99 C81 -170.0(13) . . . . ?
C97 C98 C99 N12 -4.6(12) . . . . ?
C85 C84 N9 C81 -178.7(9) . . . . ?
C83 C84 N9 C81 2.4(11) . . . . ?
C85 C84 N9 Si3 -17.8(15) . . . . ?
C83 C84 N9 Si3 163.3(8) . . . . ?
C99 C81 N9 C84 175.4(9) . . . . ?
C82 C81 N9 C84 -4.4(12) . . . . ?
C99 C81 N9 Si3 10.9(11) . . . . ?
C82 C81 N9 Si3 -168.9(7) . . . . ?
C88 C89 N10 C86 6.9(11) . . . . ?
C90 C89 N10 C86 173.6(9) . . . . ?
C88 C89 N10 Si3 168.7(7) . . . . ?
C90 C89 N10 Si3 -24.6(14) . . . . ?
C85 C86 N10 C89 -175.9(10) . . . . ?
C87 C86 N10 C89 -1.8(10) . . . . ?
C85 C86 N10 Si3 21.4(14) . . . . ?
C87 C86 N10 Si3 -164.6(7) . . . . ?
C90 C91 N11 C94 -178.7(11) . . . . ?
C92 C91 N11 C94 1.1(12) . . . . ?
C90 C91 N11 Si3 5.0(17) . . . . ?
C92 C91 N11 Si3 -175.2(8) . . . . ?
C95 C94 N11 C91 177.1(11) . . . . ?
C93 C94 N11 C91 -4.5(11) . . . . ?
C95 C94 N11 Si3 -6.4(16) . . . . ?
C93 C94 N11 Si3 172.0(7) . . . . ?
C81 C99 N12 C96 171.6(9) . . . . ?
C98 C99 N12 C96 2.4(12) . . . . ?
C81 C99 N12 Si3 -14.4(12) . . . . ?
C98 C99 N12 Si3 176.4(6) . . . . ?
C95 C96 N12 C99 -174.3(10) . . . . ?
C97 C96 N12 C99 0.4(11) . . . . ?
C95 C96 N12 Si3 13.1(16) . . . . ?
C97 C96 N12 Si3 -172.3(7) . . . . ?
C89 N10 Si3 O8 -80.0(9) . . . . ?
C86 N10 Si3 O8 77.8(8) . . . . ?
C89 N10 Si3 N11 24.8(9) . . . . ?
C86 N10 Si3 N11 -177.4(8) . . . . ?
C89 N10 Si3 N12 113.4(10) . . . . ?
C86 N10 Si3 N12 -88.8(11) . . . . ?
C89 N10 Si3 N9 174.5(9) . . . . ?
C86 N10 Si3 N9 -27.7(8) . . . . ?
C91 N11 Si3 O8 86.8(10) . . . . ?
C94 N11 Si3 O8 -88.8(9) . . . . ?
C91 N11 Si3 N10 -14.6(10) . . . . ?
C94 N11 Si3 N10 169.8(9) . . . . ?
C91 N11 Si3 N12 -168.9(10) . . . . ?
C94 N11 Si3 N12 15.4(9) . . . . ?
C91 N11 Si3 N9 -102.4(11) . . . . ?
C94 N11 Si3 N9 82.0(11) . . . . ?
C99 N12 Si3 O8 -87.8(8) . . . . ?
C96 N12 Si3 O8 84.5(10) . . . . ?
C99 N12 Si3 N10 78.6(11) . . . . ?
C96 N12 Si3 N10 -109.0(11) . . . . ?
C99 N12 Si3 N11 167.9(8) . . . . ?
C96 N12 Si3 N11 -19.8(10) . . . . ?
C99 N12 Si3 N9 15.9(7) . . . . ?
C96 N12 Si3 N9 -171.7(10) . . . . ?
C84 N9 Si3 O8 -72.4(10) . . . . ?
C81 N9 Si3 O8 87.4(7) . . . . ?
C84 N9 Si3 N10 28.2(10) . . . . ?
C81 N9 Si3 N10 -172.0(7) . . . . ?
C84 N9 Si3 N11 116.8(10) . . . . ?
C81 N9 Si3 N11 -83.4(10) . . . . ?
C84 N9 Si3 N12 -174.5(10) . . . . ?
C81 N9 Si3 N12 -14.7(7) . . . . ?
N10 Si3 O8 Si4 -151.1(9) . . . . ?
N11 Si3 O8 Si4 114.9(9) . . . . ?
N12 Si3 O8 Si4 23.0(10) . . . . ?
N9 Si3 O8 Si4 -60.3(10) . . . . ?
Si3 O8 Si4 N14 116.9(9) . . . . ?
Si3 O8 Si4 N15 -148.3(9) . . . . ?
Si3 O8 Si4 N13 25.0(10) . . . . ?
Si3 O8 Si4 N16 -56.7(10) . . . . ?
O8 Si4 N13 C100 -87.7(8) . . . . ?
N14 Si4 N13 C100 168.2(8) . . . . ?
N15 Si4 N13 C100 76.4(11) . . . . ?
N16 Si4 N13 C100 13.3(7) . . . . ?
O8 Si4 N13 C103 85.2(10) . . . . ?
N14 Si4 N13 C103 -18.9(10) . . . . ?
N15 Si4 N13 C103 -110.7(11) . . . . ?
N16 Si4 N13 C103 -173.8(10) . . . . ?
O8 Si4 N14 C108 79.7(8) . . . . ?
N15 Si4 N14 C108 -21.4(9) . . . . ?
N13 Si4 N14 C108 -176.2(8) . . . . ?
N16 Si4 N14 C108 -113.6(10) . . . . ?
O8 Si4 N14 C105 -90.2(9) . . . . ?
N15 Si4 N14 C105 168.8(9) . . . . ?
N13 Si4 N14 C105 13.9(9) . . . . ?
N16 Si4 N14 C105 76.6(12) . . . . ?
O8 Si4 N15 C110 -77.7(9) . . . . ?
N14 Si4 N15 C110 27.0(9) . . . . ?
N13 Si4 N15 C110 118.0(10) . . . . ?
N16 Si4 N15 C110 179.1(9) . . . . ?
O8 Si4 N15 C113 85.3(9) . . . . ?
N14 Si4 N15 C113 -170.0(9) . . . . ?
N13 Si4 N15 C113 -79.1(12) . . . . ?
N16 Si4 N15 C113 -18.0(9) . . . . ?
O8 Si4 N16 C118 89.2(8) . . . . ?
N14 Si4 N16 C118 -77.6(11) . . . . ?
N15 Si4 N16 C118 -170.6(8) . . . . ?
N13 Si4 N16 C118 -12.8(7) . . . . ?
O8 Si4 N16 C115 -81.6(10) . . . . ?
N14 Si4 N16 C115 111.6(11) . . . . ?
N15 Si4 N16 C115 18.7(10) . . . . ?
N13 Si4 N16 C115 176.4(11) . . . . ?
C103 N13 C100 C101 -1.0(11) . . . . ?
Si4 N13 C100 C101 173.9(7) . . . . ?
C103 N13 C100 C118 174.1(8) . . . . ?
Si4 N13 C100 C118 -11.0(11) . . . . ?
N13 C100 C101 C102 -1.7(12) . . . . ?
C118 C100 C101 C102 -174.6(13) . . . . ?
C100 C101 C102 C103 3.6(11) . . . . ?
C100 N13 C103 C104 -171.1(9) . . . . ?
Si4 N13 C103 C104 15.4(14) . . . . ?
C100 N13 C103 C102 3.2(10) . . . . ?
Si4 N13 C103 C102 -170.4(7) . . . . ?
C101 C102 C103 N13 -4.2(11) . . . . ?
C101 C102 C103 C104 168.7(11) . . . . ?
N13 C103 C104 C105 -1.2(15) . . . . ?
C102 C103 C104 C105 -173.6(10) . . . . ?
N13 C103 C104 C140 173.8(9) . . . . ?
C102 C103 C104 C140 1.4(17) . . . . ?
C103 C104 C105 C106 177.6(10) . . . . ?
C140 C104 C105 C106 2.7(16) . . . . ?
C103 C104 C105 N14 -1.7(15) . . . . ?
C140 C104 C105 N14 -176.6(9) . . . . ?
C108 N14 C105 C106 1.2(11) . . . . ?
Si4 N14 C105 C106 172.7(7) . . . . ?
C108 N14 C105 C104 -179.4(9) . . . . ?
Si4 N14 C105 C104 -7.9(14) . . . . ?
C104 C105 C106 C107 179.0(10) . . . . ?
N14 C105 C106 C107 -1.7(12) . . . . ?
C105 C106 C107 C108 1.4(12) . . . . ?
C105 N14 C108 C109 -177.4(10) . . . . ?
Si4 N14 C108 C109 10.6(15) . . . . ?
C105 N14 C108 C107 -0.3(10) . . . . ?
Si4 N14 C108 C107 -172.4(7) . . . . ?
C106 C107 C108 C109 176.4(11) . . . . ?
C106 C107 C108 N14 -0.7(12) . . . . ?
N14 C108 C109 C110 3.4(17) . . . . ?
C107 C108 C109 C110 -173.1(10) . . . . ?
N14 C108 C109 C146 178.4(10) . . . . ?
C107 C108 C109 C146 1.9(17) . . . . ?
C113 N15 C110 C109 171.6(10) . . . . ?
Si4 N15 C110 C109 -22.2(15) . . . . ?
C113 N15 C110 C111 5.0(12) . . . . ?
Si4 N15 C110 C111 171.1(7) . . . . ?
C108 C109 C110 N15 2.6(17) . . . . ?
C146 C109 C110 N15 -172.6(10) . . . . ?
C108 C109 C110 C111 167.2(11) . . . . ?
C146 C109 C110 C111 -8.0(16) . . . . ?
N15 C110 C111 C112 -9.1(13) . . . . ?
C109 C110 C111 C112 -175.8(11) . . . . ?
C110 C111 C112 C113 9.2(13) . . . . ?
C111 C112 C113 C114 175.6(11) . . . . ?
C111 C112 C113 N15 -6.1(13) . . . . ?
C110 N15 C113 C112 0.5(12) . . . . ?
Si4 N15 C113 C112 -165.2(8) . . . . ?
C110 N15 C113 C114 178.8(11) . . . . ?
Si4 N15 C113 C114 13.1(16) . . . . ?
C112 C113 C114 C115 178.6(11) . . . . ?
N15 C113 C114 C115 0.6(18) . . . . ?
C112 C113 C114 C369 -10.1(19) . . . . ?
N15 C113 C114 C369 171.9(12) . . . . ?
C112 C113 C114 C155 7.3(18) . . . . ?
N15 C113 C114 C155 -170.7(10) . . . . ?
C118 N16 C115 C116 -2.3(12) . . . . ?
Si4 N16 C115 C116 168.9(8) . . . . ?
C118 N16 C115 C114 176.9(10) . . . . ?
Si4 N16 C115 C114 -11.8(16) . . . . ?
C113 C114 C115 N16 -1.6(16) . . . . ?
C369 C114 C115 N16 -172.9(12) . . . . ?
C155 C114 C115 N16 169.5(10) . . . . ?
C113 C114 C115 C116 177.5(11) . . . . ?
C369 C114 C115 C116 6(2) . . . . ?
C155 C114 C115 C116 -11.5(19) . . . . ?
N16 C115 C116 C117 2.7(12) . . . . ?
C114 C115 C116 C117 -176.4(11) . . . . ?
C115 C116 C117 C118 -2.1(12) . . . . ?
C115 N16 C118 C100 -176.5(9) . . . . ?
Si4 N16 C118 C100 10.6(12) . . . . ?
C115 N16 C118 C117 1.0(12) . . . . ?
Si4 N16 C118 C117 -172.0(7) . . . . ?
N13 C100 C118 N16 0.0(12) . . . . ?
C101 C100 C118 N16 173.0(12) . . . . ?
N13 C100 C118 C117 -176.4(11) . . . . ?
C101 C100 C118 C117 -3(2) . . . . ?
C116 C117 C118 N16 0.7(12) . . . . ?
C116 C117 C118 C100 177.3(12) . . . . ?
C84 C85 C119 C120 -114.1(13) . . . . ?
C86 C85 C119 C120 66.2(16) . . . . ?
C84 C85 C119 C124 62.1(15) . . . . ?
C86 C85 C119 C124 -117.6(11) . . . . ?
C124 C119 C120 F21 177.9(17) . . . . ?
C85 C119 C120 F21 -6.0(17) . . . . ?
C124 C119 C120 C121 0.0 . . . . ?
C85 C119 C120 C121 176.0(18) . . . . ?
F21 C120 C121 F22 -2.2(18) . . . . ?
C119 C120 C121 F22 175.7(15) . . . . ?
F21 C120 C121 C122 -177.9(17) . . . . ?
C119 C120 C121 C122 0.0 . . . . ?
F22 C121 C122 F23 2.5(17) . . . . ?
C120 C121 C122 F23 178.2(16) . . . . ?
F22 C121 C122 C123 -175.7(15) . . . . ?
C120 C121 C122 C123 0.0 . . . . ?
F23 C122 C123 C124 -178.3(15) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
F23 C122 C123 F24 0.3(15) . . . . ?
C121 C122 C123 F24 178.7(14) . . . . ?
C122 C123 C124 C119 0.0 . . . . ?
F24 C123 C124 C119 -178.7(14) . . . . ?
C122 C123 C124 F25 -178.7(15) . . . . ?
F24 C123 C124 F25 2.6(16) . . . . ?
C120 C119 C124 C123 0.0 . . . . ?
C85 C119 C124 C123 -176.3(17) . . . . ?
C120 C119 C124 F25 178.6(17) . . . . ?
C85 C119 C124 F25 2.2(15) . . . . ?
C89 C90 C125 C126 68.6(15) . . . . ?
C91 C90 C125 C126 -112.8(12) . . . . ?
C89 C90 C125 C130 -107.8(13) . . . . ?
C91 C90 C125 C130 70.8(15) . . . . ?
C130 C125 C126 C127 0.0(17) . . . . ?
C90 C125 C126 C127 -176.7(11) . . . . ?
C130 C125 C126 O9 178.7(9) . . . . ?
C90 C125 C126 O9 2.0(15) . . . . ?
O9 C126 C127 C128 178.0(10) . . . . ?
C125 C126 C127 C128 -3.4(18) . . . . ?
C126 C127 C128 C129 0.3(19) . . . . ?
C126 C127 C128 O10 -172.5(11) . . . . ?
O10 C128 C129 C130 177.6(12) . . . . ?
C127 C128 C129 C130 6(2) . . . . ?
C126 C125 C130 O11 -180.0(10) . . . . ?
C90 C125 C130 O11 -3.4(15) . . . . ?
C126 C125 C130 C129 6.4(16) . . . . ?
C90 C125 C130 C129 -177.0(10) . . . . ?
C128 C129 C130 O11 177.6(12) . . . . ?
C128 C129 C130 C125 -9.6(19) . . . . ?
C127 C126 O9 C131 3.8(16) . . . . ?
C125 C126 O9 C131 -175.0(11) . . . . ?
C129 C128 O10 C132 -10(2) . . . . ?
C127 C128 O10 C132 162.0(14) . . . . ?
C125 C130 O11 C133 -174.2(10) . . . . ?
C129 C130 O11 C133 -1.0(18) . . . . ?
C94 C95 C134 C139 -65.1(17) . . . . ?
C96 C95 C134 C139 121.5(14) . . . . ?
C94 C95 C134 C135 114.3(14) . . . . ?
C96 C95 C134 C135 -59.1(17) . . . . ?
C139 C134 C135 F26 177.7(12) . . . . ?
C95 C134 C135 F26 -2(2) . . . . ?
C139 C134 C135 C136 -4(2) . . . . ?
C95 C134 C135 C136 176.9(13) . . . . ?
F26 C135 C136 C137 175.6(15) . . . . ?
C134 C135 C136 C137 -3(3) . . . . ?
F26 C135 C136 F27 13(2) . . . . ?
C134 C135 C136 F27 -166.0(14) . . . . ?
F27 C136 C137 F28 -13(3) . . . . ?
C135 C136 C137 F28 -176.0(15) . . . . ?
F27 C136 C137 C138 172.0(14) . . . . ?
C135 C136 C137 C138 8(3) . . . . ?
C136 C137 C138 F29 176.3(15) . . . . ?
F28 C137 C138 F29 1(2) . . . . ?
C136 C137 C138 C139 -7(2) . . . . ?
F28 C137 C138 C139 177.4(14) . . . . ?
C135 C134 C139 F30 -176.3(12) . . . . ?
C95 C134 C139 F30 3(2) . . . . ?
C135 C134 C139 C138 5(2) . . . . ?
C95 C134 C139 C138 -175.5(13) . . . . ?
F29 C138 C139 F30 -2(2) . . . . ?
C137 C138 C139 F30 -178.8(13) . . . . ?
F29 C138 C139 C134 176.7(13) . . . . ?
C137 C138 C139 C134 0(2) . . . . ?
C105 C104 C140 C145 -64.5(14) . . . . ?
C103 C104 C140 C145 120.2(11) . . . . ?
C105 C104 C140 C141 113.1(12) . . . . ?
C103 C104 C140 C141 -62.2(13) . . . . ?
C145 C140 C141 F31 172.6(9) . . . . ?
C104 C140 C141 F31 -5.3(15) . . . . ?
C145 C140 C141 C142 -1.4(15) . . . . ?
C104 C140 C141 C142 -179.3(10) . . . . ?
F31 C141 C142 C143 -177.1(10) . . . . ?
C140 C141 C142 C143 -3.2(18) . . . . ?
F31 C141 C142 F32 3.9(15) . . . . ?
C140 C141 C142 F32 177.9(9) . . . . ?
C141 C142 C143 F33 178.3(10) . . . . ?
F32 C142 C143 F33 -2.9(17) . . . . ?
C141 C142 C143 C144 6.1(17) . . . . ?
F32 C142 C143 C144 -175.1(9) . . . . ?
F33 C143 C144 C145 -176.7(10) . . . . ?
C142 C143 C144 C145 -4.6(16) . . . . ?
F33 C143 C144 F34 8.7(16) . . . . ?
C142 C143 C144 F34 -179.2(10) . . . . ?
F34 C144 C145 C140 174.3(10) . . . . ?
C143 C144 C145 C140 0.1(17) . . . . ?
F34 C144 C145 F35 -0.5(15) . . . . ?
C143 C144 C145 F35 -174.8(9) . . . . ?
C141 C140 C145 C144 2.9(16) . . . . ?
C104 C140 C145 C144 -179.4(10) . . . . ?
C141 C140 C145 F35 177.6(9) . . . . ?
C104 C140 C145 F35 -4.6(15) . . . . ?
C108 C109 C146 C151 -71.9(15) . . . . ?
C110 C109 C146 C151 103.2(12) . . . . ?
C108 C109 C146 C147 110.1(12) . . . . ?
C110 C109 C146 C147 -74.8(14) . . . . ?
C151 C146 C147 C148 0.0(16) . . . . ?
C109 C146 C147 C148 178.1(10) . . . . ?
C151 C146 C147 O12 -177.8(9) . . . . ?
C109 C146 C147 O12 0.3(13) . . . . ?
O12 C147 C148 C149 179.0(10) . . . . ?
C146 C147 C148 C149 1.5(16) . . . . ?
C147 C148 C149 O13 -178.1(10) . . . . ?
C147 C148 C149 C150 -3.4(17) . . . . ?
O13 C149 C150 C151 177.5(10) . . . . ?
C148 C149 C150 C151 3.4(16) . . . . ?
C147 C146 C151 O14 178.4(9) . . . . ?
C109 C146 C151 O14 0.3(15) . . . . ?
C147 C146 C151 C150 0.1(15) . . . . ?
C109 C146 C151 C150 -178.0(9) . . . . ?
C149 C150 C151 O14 -179.9(10) . . . . ?
C149 C150 C151 C146 -1.7(15) . . . . ?
C148 C147 O12 C152 -8.5(15) . . . . ?
C146 C147 O12 C152 169.3(9) . . . . ?
C150 C149 O13 C153 17.5(17) . . . . ?
C148 C149 O13 C153 -167.7(11) . . . . ?
C146 C151 O14 C154 -171.2(10) . . . . ?
C150 C151 O14 C154 7.2(15) . . . . ?
C113 C114 C155 C156 58.2(15) . . . . ?
C115 C114 C155 C156 -113.2(12) . . . . ?
C113 C114 C155 C160 -119.3(11) . . . . ?
C115 C114 C155 C160 69.3(14) . . . . ?
C160 C155 C156 F36 -177.8(16) . . . . ?
C114 C155 C156 F36 4.8(15) . . . . ?
C160 C155 C156 C157 0.0 . . . . ?
C114 C155 C156 C157 -177.3(15) . . . . ?
F36 C156 C157 F37 2.5(17) . . . . ?
C155 C156 C157 F37 -175.4(16) . . . . ?
F36 C156 C157 C158 177.9(15) . . . . ?
C155 C156 C157 C158 0.0 . . . . ?
F37 C157 C158 F38 -3.5(16) . . . . ?
C156 C157 C158 F38 -179.5(16) . . . . ?
F37 C157 C158 C159 175.9(14) . . . . ?
C156 C157 C158 C159 0.0 . . . . ?
F38 C158 C159 F39 1.2(15) . . . . ?
C157 C158 C159 F39 -178.3(15) . . . . ?
F38 C158 C159 C160 179.5(14) . . . . ?
C157 C158 C159 C160 0.0 . . . . ?
F39 C159 C160 F40 -4.6(15) . . . . ?
C158 C159 C160 F40 177.0(14) . . . . ?
F39 C159 C160 C155 178.4(14) . . . . ?
C158 C159 C160 C155 0.0 . . . . ?
C156 C155 C160 F40 -176.9(15) . . . . ?
C114 C155 C160 F40 0.7(15) . . . . ?
C156 C155 C160 C159 0.0 . . . . ?
C114 C155 C160 C159 177.5(14) . . . . ?
C179 C161 C162 C163 -174.3(13) . . . . ?
N17 C161 C162 C163 -1.8(12) . . . . ?
C161 C162 C163 C164 1.2(12) . . . . ?
C162 C163 C164 C165 177.2(12) . . . . ?
C162 C163 C164 N17 -0.1(12) . . . . ?
N17 C164 C165 C166 4.3(17) . . . . ?
C163 C164 C165 C166 -172.7(12) . . . . ?
N17 C164 C165 C199 -174.2(12) . . . . ?
C163 C164 C165 C199 9(2) . . . . ?
N17 C164 C165 C375 172.9(11) . . . . ?
C163 C164 C165 C375 -4(2) . . . . ?
C164 C165 C166 N18 -4.0(19) . . . . ?
C199 C165 C166 N18 174.6(12) . . . . ?
C375 C165 C166 N18 -172.3(11) . . . . ?
C164 C165 C166 C167 168.9(12) . . . . ?
C199 C165 C166 C167 -12.5(19) . . . . ?
C375 C165 C166 C167 1(2) . . . . ?
C165 C166 C167 C168 177.6(12) . . . . ?
N18 C166 C167 C168 -8.4(14) . . . . ?
C166 C167 C168 C169 9.3(15) . . . . ?
C167 C168 C169 C170 175.6(12) . . . . ?
C167 C168 C169 N18 -6.9(14) . . . . ?
N18 C169 C170 C171 8.0(19) . . . . ?
C168 C169 C170 C171 -174.9(11) . . . . ?
N18 C169 C170 C205 -177.7(10) . . . . ?
C168 C169 C170 C205 -0.6(18) . . . . ?
C169 C170 C171 C172 167.9(11) . . . . ?
C205 C170 C171 C172 -6.3(17) . . . . ?
C169 C170 C171 N19 -7.0(18) . . . . ?
C205 C170 C171 N19 178.8(9) . . . . ?
C170 C171 C172 C173 -176.1(11) . . . . ?
N19 C171 C172 C173 -0.7(12) . . . . ?
C171 C172 C173 C174 -0.4(12) . . . . ?
C172 C173 C174 N19 1.4(12) . . . . ?
C172 C173 C174 C175 177.5(10) . . . . ?
N19 C174 C175 C176 1.1(18) . . . . ?
C173 C174 C175 C176 -173.9(10) . . . . ?
N19 C174 C175 C214 171.8(10) . . . . ?
C173 C174 C175 C214 -3.3(16) . . . . ?
C174 C175 C176 N20 -0.7(16) . . . . ?
C214 C175 C176 N20 -171.6(9) . . . . ?
C174 C175 C176 C177 175.8(10) . . . . ?
C214 C175 C176 C177 4.9(17) . . . . ?
N20 C176 C177 C178 0.6(12) . . . . ?
C175 C176 C177 C178 -176.3(11) . . . . ?
C176 C177 C178 C179 1.0(11) . . . . ?
C162 C161 C179 N20 173.3(12) . . . . ?
N17 C161 C179 N20 0.5(12) . . . . ?
C162 C161 C179 C178 -4(2) . . . . ?
N17 C161 C179 C178 -176.4(11) . . . . ?
C177 C178 C179 N20 -2.2(11) . . . . ?
C177 C178 C179 C161 174.9(12) . . . . ?
C165 C164 N17 C161 -178.7(10) . . . . ?
C163 C164 N17 C161 -0.9(11) . . . . ?
C165 C164 N17 Si5 13.9(16) . . . . ?
C163 C164 N17 Si5 -168.3(8) . . . . ?
C162 C161 N17 C164 1.8(11) . . . . ?
C179 C161 N17 C164 176.7(8) . . . . ?
C162 C161 N17 Si5 171.8(7) . . . . ?
C179 C161 N17 Si5 -13.2(11) . . . . ?
C165 C166 N18 C169 177.8(11) . . . . ?
C167 C166 N18 C169 3.8(12) . . . . ?
C165 C166 N18 Si5 -12.7(17) . . . . ?
C167 C166 N18 Si5 173.2(8) . . . . ?
C170 C169 N18 C166 179.2(11) . . . . ?
C168 C169 N18 C166 1.7(12) . . . . ?
C170 C169 N18 Si5 9.5(17) . . . . ?
C168 C169 N18 Si5 -168.1(8) . . . . ?
C175 C174 N19 C171 -177.3(11) . . . . ?
C173 C174 N19 C171 -1.8(11) . . . . ?
C175 C174 N19 Si5 11.0(17) . . . . ?
C173 C174 N19 Si5 -173.4(7) . . . . ?
C172 C171 N19 C174 1.6(12) . . . . ?
C170 C171 N19 C174 177.1(10) . . . . ?
C172 C171 N19 Si5 173.3(7) . . . . ?
C170 C171 N19 Si5 -11.2(15) . . . . ?
C175 C176 N20 C179 175.0(10) . . . . ?
C177 C176 N20 C179 -2.1(12) . . . . ?
C175 C176 N20 Si5 -13.3(17) . . . . ?
C177 C176 N20 Si5 169.5(8) . . . . ?
C161 C179 N20 C176 -175.1(9) . . . . ?
C178 C179 N20 C176 2.7(11) . . . . ?
C161 C179 N20 Si5 11.5(11) . . . . ?
C178 C179 N20 Si5 -170.7(6) . . . . ?
C164 N17 Si5 O15 78.9(10) . . . . ?
C161 N17 Si5 O15 -87.0(8) . . . . ?
C164 N17 Si5 N18 -22.5(10) . . . . ?
C161 N17 Si5 N18 171.5(8) . . . . ?
C164 N17 Si5 N20 -178.0(11) . . . . ?
C161 N17 Si5 N20 16.0(7) . . . . ?
C164 N17 Si5 N19 -113.2(12) . . . . ?
C161 N17 Si5 N19 80.8(10) . . . . ?
C166 N18 Si5 O15 -83.3(10) . . . . ?
C169 N18 Si5 O15 84.3(9) . . . . ?
C166 N18 Si5 N17 20.0(10) . . . . ?
C169 N18 Si5 N17 -172.3(9) . . . . ?
C166 N18 Si5 N20 84.6(13) . . . . ?
C169 N18 Si5 N20 -107.7(11) . . . . ?
C166 N18 Si5 N19 172.4(9) . . . . ?
C169 N18 Si5 N19 -20.0(9) . . . . ?
C176 N20 Si5 O15 -84.0(10) . . . . ?
C179 N20 Si5 O15 87.4(7) . . . . ?
C176 N20 Si5 N17 173.9(10) . . . . ?
C179 N20 Si5 N17 -14.7(7) . . . . ?
C176 N20 Si5 N18 108.2(12) . . . . ?
C179 N20 Si5 N18 -80.4(11) . . . . ?
C176 N20 Si5 N19 18.7(10) . . . . ?
C179 N20 Si5 N19 -169.9(7) . . . . ?
C174 N19 Si5 O15 88.0(9) . . . . ?
C171 N19 Si5 O15 -82.1(8) . . . . ?
C174 N19 Si5 N17 -79.8(11) . . . . ?
C171 N19 Si5 N17 110.1(10) . . . . ?
C174 N19 Si5 N18 -169.0(8) . . . . ?
C171 N19 Si5 N18 20.9(8) . . . . ?
C174 N19 Si5 N20 -16.0(8) . . . . ?
C171 N19 Si5 N20 173.9(8) . . . . ?
N17 Si5 O15 Si6 57.2(14) . . . . ?
N18 Si5 O15 Si6 146.7(13) . . . . ?
N20 Si5 O15 Si6 -27.7(14) . . . . ?
N19 Si5 O15 Si6 -117.1(13) . . . . ?
Si5 O15 Si6 N22 -112.4(13) . . . . ?
Si5 O15 Si6 N24 60.9(14) . . . . ?
Si5 O15 Si6 N21 -22.1(14) . . . . ?
Si5 O15 Si6 N23 150.2(13) . . . . ?
N21 C180 C181 C182 -7.7(12) . . . . ?
C198 C180 C181 C182 -179.4(12) . . . . ?
C180 C181 C182 C183 5.3(12) . . . . ?
C181 C182 C183 N21 -1.2(12) . . . . ?
C181 C182 C183 C184 -171.9(11) . . . . ?
C182 C183 C184 C185 170.8(11) . . . . ?
N21 C183 C184 C185 0.0(16) . . . . ?
C182 C183 C184 C220 -3.5(18) . . . . ?
N21 C183 C184 C220 -174.3(9) . . . . ?
C183 C184 C185 N22 0.5(19) . . . . ?
C220 C184 C185 N22 174.6(10) . . . . ?
C183 C184 C185 C186 -171.0(11) . . . . ?
C220 C184 C185 C186 3.2(17) . . . . ?
N22 C185 C186 C187 7.3(14) . . . . ?
C184 C185 C186 C187 179.8(11) . . . . ?
C185 C186 C187 C188 -5.8(14) . . . . ?
C186 C187 C188 C189 -176.2(13) . . . . ?
C186 C187 C188 N22 2.4(14) . . . . ?
C187 C188 C189 C190 174.9(13) . . . . ?
N22 C188 C189 C190 -3.5(19) . . . . ?
C187 C188 C189 C226 2(2) . . . . ?
N22 C188 C189 C226 -176.2(11) . . . . ?
C188 C189 C190 N23 4(2) . . . . ?
C226 C189 C190 N23 176.7(11) . . . . ?
C188 C189 C190 C191 176.9(11) . . . . ?
C226 C189 C190 C191 -10.4(18) . . . . ?
C189 C190 C191 C192 176.1(11) . . . . ?
N23 C190 C191 C192 -9.7(12) . . . . ?
C190 C191 C192 C193 8.6(12) . . . . ?
C191 C192 C193 N23 -4.6(12) . . . . ?
C191 C192 C193 C194 178.4(10) . . . . ?
N23 C193 C194 C195 -4.6(17) . . . . ?
C192 C193 C194 C195 171.9(10) . . . . ?
N23 C193 C194 C235 -179.4(9) . . . . ?
C192 C193 C194 C235 -2.9(16) . . . . ?
C193 C194 C195 N24 6.8(15) . . . . ?
C235 C194 C195 N24 -178.4(9) . . . . ?
C193 C194 C195 C196 -170.0(11) . . . . ?
C235 C194 C195 C196 4.8(18) . . . . ?
N24 C195 C196 C197 2.5(12) . . . . ?
C194 C195 C196 C197 179.5(11) . . . . ?
C195 C196 C197 C198 -3.0(12) . . . . ?
C196 C197 C198 N24 2.7(12) . . . . ?
C196 C197 C198 C180 -177.7(12) . . . . ?
C181 C180 C198 N24 173.2(13) . . . . ?
N21 C180 C198 N24 1.1(11) . . . . ?
C181 C180 C198 C197 -6(2) . . . . ?
N21 C180 C198 C197 -178.5(12) . . . . ?
C182 C183 N21 C180 -3.0(12) . . . . ?
C184 C183 N21 C180 169.0(9) . . . . ?
C182 C183 N21 Si6 168.9(9) . . . . ?
C184 C183 N21 Si6 -19.0(16) . . . . ?
C181 C180 N21 C183 6.8(12) . . . . ?
C198 C180 N21 C183 -178.8(8) . . . . ?
C181 C180 N21 Si6 -167.0(8) . . . . ?
C198 C180 N21 Si6 7.4(11) . . . . ?
O15 Si6 N21 C183 -79.9(11) . . . . ?
N22 Si6 N21 C183 26.5(11) . . . . ?
N24 Si6 N21 C183 179.1(11) . . . . ?
N23 Si6 N21 C183 117.9(12) . . . . ?
O15 Si6 N21 C180 90.9(8) . . . . ?
N22 Si6 N21 C180 -162.8(8) . . . . ?
N24 Si6 N21 C180 -10.0(8) . . . . ?
N23 Si6 N21 C180 -71.3(13) . . . . ?
C186 C185 N22 C188 -5.9(13) . . . . ?
C184 C185 N22 C188 -177.9(12) . . . . ?
C186 C185 N22 Si6 -172.5(8) . . . . ?
C184 C185 N22 Si6 15.5(18) . . . . ?
C189 C188 N22 C185 -179.2(12) . . . . ?
C187 C188 N22 C185 2.0(13) . . . . ?
C189 C188 N22 Si6 -12.0(16) . . . . ?
C187 C188 N22 Si6 169.2(8) . . . . ?
O15 Si6 N22 C185 80.9(10) . . . . ?
N24 Si6 N22 C185 -85.9(13) . . . . ?
N21 Si6 N22 C185 -21.8(10) . . . . ?
N23 Si6 N22 C185 -176.3(10) . . . . ?
O15 Si6 N22 C188 -83.0(9) . . . . ?
N24 Si6 N22 C188 110.2(11) . . . . ?
N21 Si6 N22 C188 174.3(9) . . . . ?
N23 Si6 N22 C188 19.8(9) . . . . ?
C194 C193 N23 C190 175.1(10) . . . . ?
C192 C193 N23 C190 -1.8(12) . . . . ?
C194 C193 N23 Si6 -15.3(16) . . . . ?
C192 C193 N23 Si6 167.8(7) . . . . ?
C189 C190 N23 C193 -179.1(11) . . . . ?
C191 C190 N23 C193 6.7(11) . . . . ?
C189 C190 N23 Si6 10.8(16) . . . . ?
C191 C190 N23 Si6 -163.4(7) . . . . ?
O15 Si6 N23 C193 -79.3(9) . . . . ?
N22 Si6 N23 C193 172.8(9) . . . . ?
N24 Si6 N23 C193 23.0(9) . . . . ?
N21 Si6 N23 C193 83.0(13) . . . . ?
O15 Si6 N23 C190 89.0(8) . . . . ?
N22 Si6 N23 C190 -18.9(9) . . . . ?
N24 Si6 N23 C190 -168.7(8) . . . . ?
N21 Si6 N23 C190 -108.7(11) . . . . ?
C194 C195 N24 C198 -178.2(9) . . . . ?
C196 C195 N24 C198 -0.8(11) . . . . ?
C194 C195 N24 Si6 12.3(16) . . . . ?
C196 C195 N24 Si6 -170.3(8) . . . . ?
C197 C198 N24 C195 -1.1(11) . . . . ?
C180 C198 N24 C195 179.1(8) . . . . ?
C197 C198 N24 Si6 170.4(7) . . . . ?
C180 C198 N24 Si6 -9.3(11) . . . . ?
O15 Si6 N24 C195 77.4(11) . . . . ?
N22 Si6 N24 C195 -115.5(12) . . . . ?
N21 Si6 N24 C195 178.9(10) . . . . ?
N23 Si6 N24 C195 -23.3(11) . . . . ?
O15 Si6 N24 C198 -91.0(8) . . . . ?
N22 Si6 N24 C198 76.1(11) . . . . ?
N21 Si6 N24 C198 10.5(8) . . . . ?
N23 Si6 N24 C198 168.3(8) . . . . ?
C164 C165 C199 C200 -63.5(17) . . . . ?
C166 C165 C199 C200 117.8(13) . . . . ?
C164 C165 C199 C204 115.7(14) . . . . ?
C166 C165 C199 C204 -62.9(17) . . . . ?
C204 C199 C200 F41 177(2) . . . . ?
C165 C199 C200 F41 -3.5(19) . . . . ?
C204 C199 C200 C201 0.0 . . . . ?
C165 C199 C200 C201 179.3(18) . . . . ?
F41 C200 C201 F42 1(2) . . . . ?
C199 C200 C201 F42 178(2) . . . . ?
F41 C200 C201 C202 -177.5(19) . . . . ?
C199 C200 C201 C202 0.0 . . . . ?
F42 C201 C202 F43 4.2(19) . . . . ?
C200 C201 C202 F43 -177.3(19) . . . . ?
F42 C201 C202 C203 -178.5(17) . . . . ?
C200 C201 C202 C203 0.0 . . . . ?
F43 C202 C203 F44 -11(2) . . . . ?
C201 C202 C203 F44 172(2) . . . . ?
F43 C202 C203 C204 177.5(18) . . . . ?
C201 C202 C203 C204 0.0 . . . . ?
F44 C203 C204 F45 -8(2) . . . . ?
C202 C203 C204 F45 164(2) . . . . ?
F44 C203 C204 C199 -172.8(17) . . . . ?
C202 C203 C204 C199 0.0 . . . . ?
C200 C199 C204 F45 -165(2) . . . . ?
C165 C199 C204 F45 15.8(19) . . . . ?
C200 C199 C204 C203 0.0 . . . . ?
C165 C199 C204 C203 -179.2(19) . . . . ?
C169 C170 C205 C206 77.1(14) . . . . ?
C171 C170 C205 C206 -108.4(13) . . . . ?
C169 C170 C205 C210 -98.4(13) . . . . ?
C171 C170 C205 C210 76.1(13) . . . . ?
C210 C205 C206 O16 -178.1(10) . . . . ?
C170 C205 C206 O16 6.5(16) . . . . ?
C210 C205 C206 C207 1.7(17) . . . . ?
C170 C205 C206 C207 -173.7(10) . . . . ?
C205 C206 C207 C208 -1.5(18) . . . . ?
O16 C206 C207 C208 178.3(11) . . . . ?
C206 C207 C208 C209 0.0(18) . . . . ?
C206 C207 C208 O17 -176.1(10) . . . . ?
C207 C208 C209 C210 1.3(18) . . . . ?
O17 C208 C209 C210 177.2(10) . . . . ?
C208 C209 C210 O18 175.5(10) . . . . ?
C208 C209 C210 C205 -1.1(17) . . . . ?
C206 C205 C210 C209 -0.4(16) . . . . ?
C170 C205 C210 C209 175.1(10) . . . . ?
C206 C205 C210 O18 -177.3(10) . . . . ?
C170 C205 C210 O18 -1.8(14) . . . . ?
C205 C206 O16 C211 -170.4(11) . . . . ?
C207 C206 O16 C211 9.8(16) . . . . ?
C207 C208 O17 C212 176.6(11) . . . . ?
C209 C208 O17 C212 0.4(17) . . . . ?
C209 C210 O18 C213 -8.3(16) . . . . ?
C205 C210 O18 C213 168.3(10) . . . . ?
C176 C175 C214 C219 56.5(14) . . . . ?
C174 C175 C214 C219 -113.9(12) . . . . ?
C176 C175 C214 C215 -117.8(12) . . . . ?
C174 C175 C214 C215 71.9(13) . . . . ?
C219 C214 C215 F46 175.8(10) . . . . ?
C175 C214 C215 F46 -9.9(15) . . . . ?
C219 C214 C215 C216 4.0(15) . . . . ?
C175 C214 C215 C216 178.3(9) . . . . ?
F46 C215 C216 C217 -173.4(10) . . . . ?
C214 C215 C216 C217 -1.1(16) . . . . ?
F46 C215 C216 F47 5.3(14) . . . . ?
C214 C215 C216 F47 177.5(9) . . . . ?
F47 C216 C217 F48 4.5(17) . . . . ?
C215 C216 C217 F48 -176.8(9) . . . . ?
F47 C216 C217 C218 177.2(9) . . . . ?
C215 C216 C217 C218 -4.2(17) . . . . ?
C216 C217 C218 F49 -176.1(10) . . . . ?
F48 C217 C218 F49 -3.2(15) . . . . ?
C216 C217 C218 C219 6.5(16) . . . . ?
F48 C217 C218 C219 179.4(9) . . . . ?
C215 C214 C219 F50 175.4(9) . . . . ?
C175 C214 C219 F50 1.1(15) . . . . ?
C215 C214 C219 C218 -1.5(16) . . . . ?
C175 C214 C219 C218 -175.8(10) . . . . ?
F49 C218 C219 C214 179.2(10) . . . . ?
C217 C218 C219 C214 -3.5(16) . . . . ?
F49 C218 C219 F50 2.2(15) . . . . ?
C217 C218 C219 F50 179.4(9) . . . . ?
C185 C184 C220 C221 -119.1(11) . . . . ?
C183 C184 C220 C221 55.1(13) . . . . ?
C185 C184 C220 C225 69.3(13) . . . . ?
C183 C184 C220 C225 -116.5(10) . . . . ?
C225 C220 C221 F51 -177.6(13) . . . . ?
C184 C220 C221 F51 10.8(13) . . . . ?
C225 C220 C221 C222 0.0 . . . . ?
C184 C220 C221 C222 -171.6(11) . . . . ?
F51 C221 C222 F52 6.5(12) . . . . ?
C220 C221 C222 F52 -171.2(12) . . . . ?
F51 C221 C222 C223 177.7(12) . . . . ?
C220 C221 C222 C223 0.0 . . . . ?
F52 C222 C223 F53 -8.3(14) . . . . ?
C221 C222 C223 F53 -178.6(13) . . . . ?
F52 C222 C223 C224 170.4(13) . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
F53 C223 C224 F54 -1.5(13) . . . . ?
C222 C223 C224 F54 179.9(12) . . . . ?
F53 C223 C224 C225 178.6(13) . . . . ?
C222 C223 C224 C225 0.0 . . . . ?
F54 C224 C225 F55 1.1(11) . . . . ?
C223 C224 C225 F55 -179.0(10) . . . . ?
F54 C224 C225 C220 -179.8(12) . . . . ?
C223 C224 C225 C220 0.0 . . . . ?
C221 C220 C225 F55 179.0(11) . . . . ?
C184 C220 C225 F55 -9.4(12) . . . . ?
C221 C220 C225 C224 0.0 . . . . ?
C184 C220 C225 C224 171.6(11) . . . . ?
C188 C189 C226 C231 -64.5(18) . . . . ?
C190 C189 C226 C231 122.5(14) . . . . ?
C188 C189 C226 C227 111.5(15) . . . . ?
C190 C189 C226 C227 -61.5(18) . . . . ?
C231 C226 C227 O19 175.7(13) . . . . ?
C189 C226 C227 O19 0(2) . . . . ?
C231 C226 C227 C228 1(2) . . . . ?
C189 C226 C227 C228 -175.0(13) . . . . ?
O19 C227 C228 C229 -173.8(15) . . . . ?
C226 C227 C228 C229 1(2) . . . . ?
C227 C228 C229 C230 -5(3) . . . . ?
C227 C228 C229 O20 179.8(14) . . . . ?
C228 C229 C230 C231 7(2) . . . . ?
O20 C229 C230 C231 -177.7(15) . . . . ?
C227 C226 C231 O21 175.0(13) . . . . ?
C189 C226 C231 O21 -9(2) . . . . ?
C227 C226 C231 C230 2(2) . . . . ?
C189 C226 C231 C230 178.0(13) . . . . ?
C229 C230 C231 C226 -6(2) . . . . ?
C229 C230 C231 O21 -178.5(14) . . . . ?
C226 C227 O19 C232 179.3(13) . . . . ?
C228 C227 O19 C232 -6(2) . . . . ?
C228 C229 O20 C233 -172.2(15) . . . . ?
C230 C229 O20 C233 13(2) . . . . ?
C226 C231 O21 C234 -174.2(14) . . . . ?
C230 C231 O21 C234 -1(2) . . . . ?
C193 C194 C235 C236 117.6(9) . . . . ?
C195 C194 C235 C236 -57.2(12) . . . . ?
C193 C194 C235 C240 -66.6(11) . . . . ?
C195 C194 C235 C240 118.6(9) . . . . ?
C240 C235 C236 F56 176.3(9) . . . . ?
C194 C235 C236 F56 -7.9(10) . . . . ?
C240 C235 C236 C237 0.0 . . . . ?
C194 C235 C236 C237 175.7(9) . . . . ?
F56 C236 C237 F57 2.4(9) . . . . ?
C235 C236 C237 F57 178.9(9) . . . . ?
F56 C236 C237 C238 -176.5(9) . . . . ?
C235 C236 C237 C238 0.0 . . . . ?
F57 C237 C238 F58 3.1(10) . . . . ?
C236 C237 C238 F58 -178.0(10) . . . . ?
F57 C237 C238 C239 -178.9(9) . . . . ?
C236 C237 C238 C239 0.0 . . . . ?
F58 C238 C239 F59 0.1(10) . . . . ?
C237 C238 C239 F59 -177.9(9) . . . . ?
F58 C238 C239 C240 178.0(10) . . . . ?
C237 C238 C239 C240 0.0 . . . . ?
F59 C239 C240 F60 0.9(10) . . . . ?
C238 C239 C240 F60 -177.0(9) . . . . ?
F59 C239 C240 C235 177.9(9) . . . . ?
C238 C239 C240 C235 0.0 . . . . ?
C236 C235 C240 F60 176.9(9) . . . . ?
C194 C235 C240 F60 1.1(10) . . . . ?
C236 C235 C240 C239 0.0 . . . . ?
C194 C235 C240 C239 -175.8(8) . . . . ?
N25 C241 C242 C243 -5.2(13) . . . . ?
C259 C241 C242 C243 -176.4(13) . . . . ?
C241 C242 C243 C244 8.5(13) . . . . ?
C242 C243 C244 C245 172.0(12) . . . . ?
C242 C243 C244 N25 -8.9(12) . . . . ?
N25 C244 C245 C246 4.4(16) . . . . ?
C243 C244 C245 C246 -176.5(11) . . . . ?
N25 C244 C245 C294 179.9(10) . . . . ?
C243 C244 C245 C294 -1(2) . . . . ?
C244 C245 C246 C247 170.6(11) . . . . ?
C294 C245 C246 C247 -4.9(17) . . . . ?
C244 C245 C246 N26 -2.4(17) . . . . ?
C294 C245 C246 N26 -177.9(10) . . . . ?
N26 C246 C247 C248 -2.6(12) . . . . ?
C245 C246 C247 C248 -176.6(10) . . . . ?
C246 C247 C248 C249 1.1(12) . . . . ?
C247 C248 C249 N26 0.9(12) . . . . ?
C247 C248 C249 C250 170.3(9) . . . . ?
N26 C249 C250 C251 -7.6(15) . . . . ?
C248 C249 C250 C251 -175.5(9) . . . . ?
N26 C249 C250 C285 -179.2(9) . . . . ?
C248 C249 C250 C285 12.9(14) . . . . ?
C285 C250 C251 N27 176.7(10) . . . . ?
C249 C250 C251 N27 5.9(15) . . . . ?
C285 C250 C251 C252 -17.0(15) . . . . ?
C249 C250 C251 C252 172.2(9) . . . . ?
N27 C251 C252 C253 -11.1(12) . . . . ?
C250 C251 C252 C253 -179.5(9) . . . . ?
C251 C252 C253 C254 9.6(11) . . . . ?
C252 C253 C254 N27 -5.2(11) . . . . ?
C252 C253 C254 C255 175.7(10) . . . . ?
C253 C254 C255 C256 -171.8(10) . . . . ?
N27 C254 C255 C256 9.2(16) . . . . ?
C253 C254 C255 C279 0.6(16) . . . . ?
N27 C254 C255 C279 -178.4(10) . . . . ?
C254 C255 C256 N28 -2.1(15) . . . . ?
C279 C255 C256 N28 -174.4(10) . . . . ?
C254 C255 C256 C257 161.6(11) . . . . ?
C279 C255 C256 C257 -10.7(18) . . . . ?
N28 C256 C257 C258 -13.1(12) . . . . ?
C255 C256 C257 C258 -177.9(11) . . . . ?
C256 C257 C258 C259 12.5(11) . . . . ?
N25 C241 C259 N28 0.8(13) . . . . ?
C242 C241 C259 N28 172.0(12) . . . . ?
N25 C241 C259 C258 171.7(12) . . . . ?
C242 C241 C259 C258 -17(2) . . . . ?
C257 C258 C259 N28 -8.5(12) . . . . ?
C257 C258 C259 C241 -179.5(12) . . . . ?
C259 C241 N25 C244 173.3(9) . . . . ?
C242 C241 N25 C244 -0.4(12) . . . . ?
C259 C241 N25 Si7 -10.4(12) . . . . ?
C242 C241 N25 Si7 175.9(7) . . . . ?
C245 C244 N25 C241 -175.1(10) . . . . ?
C243 C244 N25 C241 5.6(12) . . . . ?
C245 C244 N25 Si7 9.4(17) . . . . ?
C243 C244 N25 Si7 -169.8(8) . . . . ?
C248 C249 N26 C246 -2.4(11) . . . . ?
C250 C249 N26 C246 -171.2(9) . . . . ?
C248 C249 N26 Si7 -172.8(7) . . . . ?
C250 C249 N26 Si7 18.3(14) . . . . ?
C247 C246 N26 C249 3.0(11) . . . . ?
C245 C246 N26 C249 176.8(10) . . . . ?
C247 C246 N26 Si7 173.3(7) . . . . ?
C245 C246 N26 Si7 -12.9(16) . . . . ?
C250 C251 N27 C254 174.7(10) . . . . ?
C252 C251 N27 C254 7.5(11) . . . . ?
C250 C251 N27 Si7 -14.8(15) . . . . ?
C252 C251 N27 Si7 178.0(7) . . . . ?
C253 C254 N27 C251 -1.0(11) . . . . ?
C255 C254 N27 C251 178.0(10) . . . . ?
C253 C254 N27 Si7 -171.2(7) . . . . ?
C255 C254 N27 Si7 7.8(15) . . . . ?
C257 C256 N28 C259 7.6(11) . . . . ?
C255 C256 N28 C259 174.0(9) . . . . ?
C257 C256 N28 Si7 168.6(8) . . . . ?
C255 C256 N28 Si7 -25.0(16) . . . . ?
C241 C259 N28 C256 173.9(9) . . . . ?
C258 C259 N28 C256 0.7(12) . . . . ?
C241 C259 N28 Si7 8.7(12) . . . . ?
C258 C259 N28 Si7 -164.5(7) . . . . ?
C251 N27 Si7 O22 -89.4(8) . . . . ?
C254 N27 Si7 O22 78.7(9) . . . . ?
C251 N27 Si7 N25 109.9(10) . . . . ?
C254 N27 Si7 N25 -82.0(12) . . . . ?
C251 N27 Si7 N26 18.0(9) . . . . ?
C254 N27 Si7 N26 -174.0(9) . . . . ?
C251 N27 Si7 N28 170.6(8) . . . . ?
C254 N27 Si7 N28 -21.3(9) . . . . ?
C241 N25 Si7 O22 -86.3(8) . . . . ?
C244 N25 Si7 O22 88.7(10) . . . . ?
C241 N25 Si7 N27 74.2(12) . . . . ?
C244 N25 Si7 N27 -110.7(12) . . . . ?
C241 N25 Si7 N26 167.0(8) . . . . ?
C244 N25 Si7 N26 -17.9(10) . . . . ?
C241 N25 Si7 N28 12.2(8) . . . . ?
C244 N25 Si7 N28 -172.8(10) . . . . ?
C249 N26 Si7 O22 82.7(9) . . . . ?
C246 N26 Si7 O22 -85.5(9) . . . . ?
C249 N26 Si7 N27 -19.9(9) . . . . ?
C246 N26 Si7 N27 171.9(9) . . . . ?
C249 N26 Si7 N25 -173.4(9) . . . . ?
C246 N26 Si7 N25 18.4(9) . . . . ?
C249 N26 Si7 N28 -107.3(11) . . . . ?
C246 N26 Si7 N28 84.4(12) . . . . ?
C256 N28 Si7 O22 -68.6(10) . . . . ?
C259 N28 Si7 O22 91.1(7) . . . . ?
C256 N28 Si7 N27 32.3(10) . . . . ?
C259 N28 Si7 N27 -167.9(7) . . . . ?
C256 N28 Si7 N25 -170.9(11) . . . . ?
C259 N28 Si7 N25 -11.1(7) . . . . ?
C256 N28 Si7 N26 121.2(11) . . . . ?
C259 N28 Si7 N26 -79.1(11) . . . . ?
N27 Si7 O22 Si8 -148.5(10) . . . . ?
N25 Si7 O22 Si8 22.8(11) . . . . ?
N26 Si7 O22 Si8 115.5(10) . . . . ?
N28 Si7 O22 Si8 -59.8(11) . . . . ?
Si7 O22 Si8 N31 -148.1(10) . . . . ?
Si7 O22 Si8 N29 25.6(11) . . . . ?
Si7 O22 Si8 N30 117.4(10) . . . . ?
Si7 O22 Si8 N32 -58.0(11) . . . . ?
N29 C260 C261 C262 9.1(14) . . . . ?
C278 C260 C261 C262 -166.2(15) . . . . ?
C260 C261 C262 C263 -8.8(14) . . . . ?
C261 C262 C263 C264 -179.5(13) . . . . ?
C261 C262 C263 N29 5.5(14) . . . . ?
C262 C263 C264 C265 -164.7(12) . . . . ?
N29 C263 C264 C265 9.7(16) . . . . ?
C262 C263 C264 C300 -3(2) . . . . ?
N29 C263 C264 C300 171.7(10) . . . . ?
C263 C264 C265 C266 172.0(10) . . . . ?
C300 C264 C265 C266 9.5(15) . . . . ?
C263 C264 C265 N30 -7.1(16) . . . . ?
C300 C264 C265 N30 -169.7(9) . . . . ?
C264 C265 C266 C267 -178.7(10) . . . . ?
N30 C265 C266 C267 0.5(11) . . . . ?
C265 C266 C267 C268 -0.7(11) . . . . ?
C266 C267 C268 N30 0.7(11) . . . . ?
C266 C267 C268 C269 172.9(9) . . . . ?
N30 C268 C269 C270 -2.1(13) . . . . ?
C267 C268 C269 C270 -173.7(9) . . . . ?
N30 C268 C269 C306 178.5(8) . . . . ?
C267 C268 C269 C306 6.9(13) . . . . ?
C268 C269 C270 N31 -0.3(14) . . . . ?
C306 C269 C270 N31 179.1(8) . . . . ?
C268 C269 C270 C271 176.5(8) . . . . ?
C306 C269 C270 C271 -4.1(14) . . . . ?
C269 C270 C271 C272 -174.2(9) . . . . ?
N31 C270 C271 C272 3.1(11) . . . . ?
C270 C271 C272 C273 -1.7(11) . . . . ?
C271 C272 C273 C274 -177.4(10) . . . . ?
C271 C272 C273 N31 -0.1(11) . . . . ?
N31 C273 C274 C275 9.6(17) . . . . ?
C272 C273 C274 C275 -173.7(10) . . . . ?
N31 C273 C274 C315 -169.7(9) . . . . ?
C272 C273 C274 C315 7.1(16) . . . . ?
C273 C274 C275 C276 161.1(12) . . . . ?
C315 C274 C275 C276 -20(2) . . . . ?
C273 C274 C275 N32 -0.4(17) . . . . ?
C315 C274 C275 N32 178.9(10) . . . . ?
C274 C275 C276 C277 -173.3(12) . . . . ?
N32 C275 C276 C277 -10.1(13) . . . . ?
C275 C276 C277 C278 7.8(13) . . . . ?
C276 C277 C278 N32 -2.6(14) . . . . ?
C276 C277 C278 C260 177.6(13) . . . . ?
C261 C260 C278 N32 173.7(14) . . . . ?
N29 C260 C278 N32 -1.7(14) . . . . ?
C261 C260 C278 C277 -7(3) . . . . ?
N29 C260 C278 C277 178.1(13) . . . . ?
C261 C260 N29 C263 -6.0(13) . . . . ?
C278 C260 N29 C263 170.8(9) . . . . ?
C261 C260 N29 Si8 172.9(8) . . . . ?
C278 C260 N29 Si8 -10.3(12) . . . . ?
C264 C263 N29 C260 -175.5(10) . . . . ?
C262 C263 N29 C260 0.3(12) . . . . ?
C264 C263 N29 Si8 5.8(17) . . . . ?
C262 C263 N29 Si8 -178.4(8) . . . . ?
O22 Si8 N29 C260 -90.1(8) . . . . ?
N31 Si8 N29 C260 76.5(12) . . . . ?
N30 Si8 N29 C260 164.7(8) . . . . ?
N32 Si8 N29 C260 13.7(8) . . . . ?
O22 Si8 N29 C263 88.4(10) . . . . ?
N31 Si8 N29 C263 -105.0(12) . . . . ?
N30 Si8 N29 C263 -16.8(10) . . . . ?
N32 Si8 N29 C263 -167.8(11) . . . . ?
C267 C268 N30 C265 -0.4(10) . . . . ?
C269 C268 N30 C265 -172.8(8) . . . . ?
C267 C268 N30 Si8 -170.3(6) . . . . ?
C269 C268 N30 Si8 17.3(12) . . . . ?
C264 C265 N30 C268 179.1(9) . . . . ?
C266 C265 N30 C268 -0.1(10) . . . . ?
C264 C265 N30 Si8 -11.1(14) . . . . ?
C266 C265 N30 Si8 169.7(6) . . . . ?
O22 Si8 N30 C268 79.3(8) . . . . ?
N31 Si8 N30 C268 -22.3(8) . . . . ?
N29 Si8 N30 C268 -174.4(8) . . . . ?
N32 Si8 N30 C268 -109.2(9) . . . . ?
O22 Si8 N30 C265 -88.1(8) . . . . ?
N31 Si8 N30 C265 170.4(8) . . . . ?
N29 Si8 N30 C265 18.2(8) . . . . ?
N32 Si8 N30 C265 83.5(10) . . . . ?
C269 C270 N31 C273 174.0(9) . . . . ?
C271 C270 N31 C273 -3.1(10) . . . . ?
C269 C270 N31 Si8 -12.6(14) . . . . ?
C271 C270 N31 Si8 170.3(6) . . . . ?
C274 C273 N31 C270 179.2(10) . . . . ?
C272 C273 N31 C270 2.0(10) . . . . ?
C274 C273 N31 Si8 5.7(15) . . . . ?
C272 C273 N31 Si8 -171.5(6) . . . . ?
O22 Si8 N31 C270 -86.0(8) . . . . ?
N29 Si8 N31 C270 107.1(10) . . . . ?
N30 Si8 N31 C270 19.8(8) . . . . ?
N32 Si8 N31 C270 168.2(8) . . . . ?
O22 Si8 N31 C273 86.0(8) . . . . ?
N29 Si8 N31 C273 -80.9(11) . . . . ?
N30 Si8 N31 C273 -168.1(8) . . . . ?
N32 Si8 N31 C273 -19.8(8) . . . . ?
C277 C278 N32 C275 -3.6(13) . . . . ?
C260 C278 N32 C275 176.3(10) . . . . ?
C277 C278 N32 Si8 -167.1(8) . . . . ?
C260 C278 N32 Si8 12.7(13) . . . . ?
C274 C275 N32 C278 173.8(11) . . . . ?
C276 C275 N32 C278 8.5(13) . . . . ?
C274 C275 N32 Si8 -25.8(17) . . . . ?
C276 C275 N32 Si8 168.8(8) . . . . ?
O22 Si8 N32 C278 89.8(8) . . . . ?
N31 Si8 N32 C278 -169.9(9) . . . . ?
N29 Si8 N32 C278 -14.5(8) . . . . ?
N30 Si8 N32 C278 -81.8(11) . . . . ?
O22 Si8 N32 C275 -68.9(11) . . . . ?
N31 Si8 N32 C275 31.5(10) . . . . ?
N29 Si8 N32 C275 -173.1(11) . . . . ?
N30 Si8 N32 C275 119.5(10) . . . . ?
C256 C255 C279 C284 48.5(17) . . . . ?
C254 C255 C279 C284 -123.8(13) . . . . ?
C256 C255 C279 C280 -116.4(12) . . . . ?
C254 C255 C279 C280 71.3(15) . . . . ?
C284 C279 C280 C281 1(2) . . . . ?
C255 C279 C280 C281 166.3(13) . . . . ?
C284 C279 C280 F61 180.0(11) . . . . ?
C255 C279 C280 F61 -14.4(17) . . . . ?
C279 C280 C281 F62 173.9(13) . . . . ?
F61 C280 C281 F62 -5(2) . . . . ?
C279 C280 C281 C282 -1(2) . . . . ?
F61 C280 C281 C282 179.6(11) . . . . ?
F62 C281 C282 C283 -175.1(15) . . . . ?
C280 C281 C282 C283 0(2) . . . . ?
F62 C281 C282 F63 -4(2) . . . . ?
C280 C281 C282 F63 171.4(12) . . . . ?
C281 C282 C283 F64 175.4(13) . . . . ?
F63 C282 C283 F64 4(2) . . . . ?
C281 C282 C283 C284 2(3) . . . . ?
F63 C282 C283 C284 -170.0(12) . . . . ?
C280 C279 C284 F65 -177.9(12) . . . . ?
C255 C279 C284 F65 17(2) . . . . ?
C280 C279 C284 C283 0.8(18) . . . . ?
C255 C279 C284 C283 -164.1(11) . . . . ?
C282 C283 C284 F65 176.8(14) . . . . ?
F64 C283 C284 F65 2.4(19) . . . . ?
C282 C283 C284 C279 -2(2) . . . . ?
F64 C283 C284 C279 -176.3(11) . . . . ?
C251 C250 C285 C290 -95.2(14) . . . . ?
C249 C250 C285 C290 75.5(14) . . . . ?
C251 C250 C285 C286 86.4(14) . . . . ?
C249 C250 C285 C286 -102.9(12) . . . . ?
C290 C285 C286 C287 -2.3(17) . . . . ?
C250 C285 C286 C287 176.2(11) . . . . ?
C290 C285 C286 O23 -177.2(9) . . . . ?
C250 C285 C286 O23 1.4(15) . . . . ?
O23 C286 C287 C288 175.8(11) . . . . ?
C285 C286 C287 C288 1.5(19) . . . . ?
C286 C287 C288 O24 178.5(11) . . . . ?
C286 C287 C288 C289 -0.2(18) . . . . ?
C287 C288 C289 C290 -0.1(16) . . . . ?
O24 C288 C289 C290 -179.0(9) . . . . ?
C250 C285 C290 O25 2.6(15) . . . . ?
C286 C285 C290 O25 -178.9(9) . . . . ?
C250 C285 C290 C289 -176.4(10) . . . . ?
C286 C285 C290 C289 2.1(17) . . . . ?
C288 C289 C290 O25 -179.9(9) . . . . ?
C288 C289 C290 C285 -1.0(16) . . . . ?
C287 C286 O23 C291 -3.8(17) . . . . ?
C285 C286 O23 C291 171.0(10) . . . . ?
C287 C288 O24 C292 10.0(16) . . . . ?
C289 C288 O24 C292 -171.2(9) . . . . ?
C285 C290 O25 C293 -172.9(9) . . . . ?
C289 C290 O25 C293 6.2(14) . . . . ?
C244 C245 C294 C299 121.2(13) . . . . ?
C246 C245 C294 C299 -63.4(16) . . . . ?
C244 C245 C294 C295 -56.8(16) . . . . ?
C246 C245 C294 C295 118.6(13) . . . . ?
C299 C294 C295 F66 176.9(11) . . . . ?
C245 C294 C295 F66 -5.1(17) . . . . ?
C299 C294 C295 C296 3.6(17) . . . . ?
C245 C294 C295 C296 -178.3(11) . . . . ?
F66 C295 C296 C297 -177.5(12) . . . . ?
C294 C295 C296 C297 -4(2) . . . . ?
F66 C295 C296 F67 5.5(17) . . . . ?
C294 C295 C296 F67 179.1(11) . . . . ?
F67 C296 C297 F68 0.2(19) . . . . ?
C295 C296 C297 F68 -176.7(11) . . . . ?
F67 C296 C297 C298 -179.5(11) . . . . ?
C295 C296 C297 C298 3.6(19) . . . . ?
F68 C297 C298 F69 3.9(18) . . . . ?
C296 C297 C298 F69 -176.5(11) . . . . ?
F68 C297 C298 C299 177.1(11) . . . . ?
C296 C297 C298 C299 -3.2(18) . . . . ?
C295 C294 C299 F70 178.1(10) . . . . ?
C245 C294 C299 F70 0.1(17) . . . . ?
C295 C294 C299 C298 -3.4(17) . . . . ?
C245 C294 C299 C298 178.6(11) . . . . ?
F69 C298 C299 F70 -5.1(16) . . . . ?
C297 C298 C299 F70 -178.2(10) . . . . ?
F69 C298 C299 C294 176.4(10) . . . . ?
C297 C298 C299 C294 3.2(18) . . . . ?
C263 C264 C300 C305 128.1(13) . . . . ?
C265 C264 C300 C305 -69.3(15) . . . . ?
C263 C264 C300 C301 -54.3(16) . . . . ?
C265 C264 C300 C301 108.4(13) . . . . ?
C305 C300 C301 F71 176.4(11) . . . . ?
C264 C300 C301 F71 -1.3(19) . . . . ?
C305 C300 C301 C302 -4.0(19) . . . . ?
C264 C300 C301 C302 178.3(11) . . . . ?
C300 C301 C302 F72 -176.0(12) . . . . ?
F71 C301 C302 F72 3.6(18) . . . . ?
C300 C301 C302 C303 1.4(19) . . . . ?
F71 C301 C302 C303 -179.0(11) . . . . ?
F72 C302 C303 C304 -180.0(13) . . . . ?
C301 C302 C303 C304 2.6(19) . . . . ?
F72 C302 C303 F73 -3.5(19) . . . . ?
C301 C302 C303 F73 179.1(11) . . . . ?
F73 C303 C304 F74 4(2) . . . . ?
C302 C303 C304 F74 179.9(11) . . . . ?
F73 C303 C304 C305 179.8(11) . . . . ?
C302 C303 C304 C305 -4(2) . . . . ?
C301 C300 C305 F75 179.6(11) . . . . ?
C264 C300 C305 F75 -2.7(18) . . . . ?
C301 C300 C305 C304 2.8(18) . . . . ?
C264 C300 C305 C304 -179.6(10) . . . . ?
C303 C304 C305 C300 1.1(19) . . . . ?
F74 C304 C305 C300 177.8(10) . . . . ?
C303 C304 C305 F75 -176.0(11) . . . . ?
F74 C304 C305 F75 0.7(15) . . . . ?
C270 C269 C306 C311 -78.5(12) . . . . ?
C268 C269 C306 C311 100.9(11) . . . . ?
C270 C269 C306 C307 90.2(11) . . . . ?
C268 C269 C306 C307 -90.3(10) . . . . ?
C311 C306 C307 O26 179.0(8) . . . . ?
C269 C306 C307 O26 9.5(12) . . . . ?
C311 C306 C307 C308 -3.5(13) . . . . ?
C269 C306 C307 C308 -173.0(8) . . . . ?
O26 C307 C308 C309 -178.9(9) . . . . ?
C306 C307 C308 C309 4.0(14) . . . . ?
C307 C308 C309 C310 -2.5(15) . . . . ?
C307 C308 C309 O27 -179.3(8) . . . . ?
C308 C309 C310 C311 0.5(15) . . . . ?
O27 C309 C310 C311 177.4(8) . . . . ?
C307 C306 C311 O28 -179.1(8) . . . . ?
C269 C306 C311 O28 -10.2(13) . . . . ?
C307 C306 C311 C310 1.7(13) . . . . ?
C269 C306 C311 C310 170.6(9) . . . . ?
C309 C310 C311 C306 -0.2(14) . . . . ?
C309 C310 C311 O28 -179.4(9) . . . . ?
C308 C307 O26 C312 5.9(14) . . . . ?
C306 C307 O26 C312 -176.9(9) . . . . ?
C310 C309 O27 C313 179.5(10) . . . . ?
C308 C309 O27 C313 -3.6(13) . . . . ?
C306 C311 O28 C314 175.7(9) . . . . ?
C310 C311 O28 C314 -5.0(13) . . . . ?
C275 C274 C315 C316 -110.8(13) . . . . ?
C273 C274 C315 C316 68.4(15) . . . . ?
C275 C274 C315 C320 66.6(15) . . . . ?
C273 C274 C315 C320 -114.1(12) . . . . ?
C320 C315 C316 F76 175.6(10) . . . . ?
C274 C315 C316 F76 -6.9(16) . . . . ?
C320 C315 C316 C317 1.0(16) . . . . ?
C274 C315 C316 C317 178.5(10) . . . . ?
F76 C316 C317 F77 4.1(17) . . . . ?
C315 C316 C317 F77 178.6(10) . . . . ?
F76 C316 C317 C318 -179.8(11) . . . . ?
C315 C316 C317 C318 -5.3(17) . . . . ?
F77 C317 C318 C319 179.6(11) . . . . ?
C316 C317 C318 C319 3.6(19) . . . . ?
F77 C317 C318 F78 -1.2(17) . . . . ?
C316 C317 C318 F78 -177.2(10) . . . . ?
F78 C318 C319 C320 -176.5(11) . . . . ?
C317 C318 C319 C320 2.7(19) . . . . ?
F78 C318 C319 F79 -6.3(18) . . . . ?
C317 C318 C319 F79 172.9(11) . . . . ?
C318 C319 C320 F80 177.1(11) . . . . ?
F79 C319 C320 F80 6.7(16) . . . . ?
C318 C319 C320 C315 -7.0(18) . . . . ?
F79 C319 C320 C315 -177.5(10) . . . . ?
C316 C315 C320 C319 5.1(16) . . . . ?
C274 C315 C320 C319 -172.5(10) . . . . ?
C316 C315 C320 F80 -179.1(9) . . . . ?
C274 C315 C320 F80 3.4(16) . . . . ?
C164 C165 C375 C376 118.6(12) . . . . ?
C166 C165 C375 C376 -72.6(16) . . . . ?
C164 C165 C375 C380 -59.0(16) . . . . ?
C166 C165 C375 C380 109.8(14) . . . . ?
C380 C375 C376 C377 0.0 . . . . ?
C165 C375 C376 C377 -177.6(17) . . . . ?
C380 C375 C376 F86 171.9(17) . . . . ?
C165 C375 C376 F86 -5.7(16) . . . . ?
C375 C376 C377 F87 -172.2(16) . . . . ?
F86 C376 C377 F87 15.4(17) . . . . ?
C375 C376 C377 C378 0.0 . . . . ?
F86 C376 C377 C378 -172.5(16) . . . . ?
F87 C377 C378 F88 -3.5(17) . . . . ?
C376 C377 C378 F88 -175.1(17) . . . . ?
F87 C377 C378 C379 171.7(17) . . . . ?
C376 C377 C378 C379 0.0 . . . . ?
F88 C378 C379 F89 -0.6(18) . . . . ?
C377 C378 C379 F89 -175.3(16) . . . . ?
F88 C378 C379 C380 174.8(18) . . . . ?
C377 C378 C379 C380 0.0 . . . . ?
F89 C379 C380 C375 175.0(17) . . . . ?
C378 C379 C380 C375 0.0 . . . . ?
F89 C379 C380 F90 -2.2(18) . . . . ?
C378 C379 C380 F90 -177.2(17) . . . . ?
C376 C375 C380 C379 0.0 . . . . ?
C165 C375 C380 C379 177.5(17) . . . . ?
C376 C375 C380 F90 177.1(17) . . . . ?
C165 C375 C380 F90 -5.4(17) . . . . ?
C113 C114 C369 C374 71.5(17) . . . . ?
C115 C114 C369 C374 -117.0(14) . . . . ?
C113 C114 C369 C370 -112.8(14) . . . . ?
C115 C114 C369 C370 58.7(18) . . . . ?
C374 C369 C370 F81 -179(2) . . . . ?
C114 C369 C370 F81 5(2) . . . . ?
C374 C369 C370 C371 0.0 . . . . ?
C114 C369 C370 C371 -176(2) . . . . ?
F81 C370 C371 C372 179(2) . . . . ?
C369 C370 C371 C372 0.0 . . . . ?
F81 C370 C371 F82 2(2) . . . . ?
C369 C370 C371 F82 -177.0(18) . . . . ?
C370 C371 C372 C373 0.0 . . . . ?
F82 C371 C372 C373 177(2) . . . . ?
C370 C371 C372 F83 178.9(18) . . . . ?
F82 C371 C372 F83 -4(2) . . . . ?
C371 C372 C373 F84 174.8(19) . . . . ?
F83 C372 C373 F84 -4(2) . . . . ?
C371 C372 C373 C374 0.0 . . . . ?
F83 C372 C373 C374 -179(2) . . . . ?
F84 C373 C374 F85 1(2) . . . . ?
C372 C373 C374 F85 175(2) . . . . ?
F84 C373 C374 C369 -174(2) . . . . ?
C372 C373 C374 C369 0.0 . . . . ?
C370 C369 C374 F85 -175(2) . . . . ?
C114 C369 C374 F85 1(2) . . . . ?
C370 C369 C374 C373 0.0 . . . . ?
C114 C369 C374 C373 175.7(19) . . . . ?
F94 C381 C382 F93 -1(2) . . . . ?
C386 C381 C382 F93 177.8(18) . . . . ?
F94 C381 C382 C383 -179(2) . . . . ?
C386 C381 C382 C383 0.0 . . . . ?
F93 C382 C383 C384 -177.9(17) . . . . ?
C381 C382 C383 C384 0.0 . . . . ?
F93 C382 C383 F92 5.3(19) . . . . ?
C381 C382 C383 F92 -176.7(18) . . . . ?
C382 C383 C384 F91 178.4(17) . . . . ?
F92 C383 C384 F91 -4.7(18) . . . . ?
C382 C383 C384 C385 0.0 . . . . ?
F92 C383 C384 C385 176.9(17) . . . . ?
F91 C384 C385 F95 1(2) . . . . ?
C383 C384 C385 F95 180(2) . . . . ?
F91 C384 C385 C386 -178.4(17) . . . . ?
C383 C384 C385 C386 0.0 . . . . ?
F95 C385 C386 C381 -180(100) . . . . ?
C384 C385 C386 C381 0.0 . . . . ?
F95 C385 C386 C85 6.2(18) . . . . ?
C384 C385 C386 C85 -174(2) . . . . ?
F94 C381 C386 C385 179(100) . . . . ?
C382 C381 C386 C385 0.0 . . . . ?
F94 C381 C386 C85 -7(2) . . . . ?
C382 C381 C386 C85 174(2) . . . . ?
C84 C85 C386 C385 61.1(18) . . . . ?
C86 C85 C386 C385 -125.7(13) . . . . ?
C84 C85 C386 C381 -113.0(14) . . . . ?
C86 C85 C386 C381 60.2(17) . . . . ?

_refine_diff_density_max         1.263
_refine_diff_density_min         -0.949
_refine_diff_density_rms         0.127



####################################################################### 
# 
# 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_201012yamagata
_database_code_depnum_ccdc_archive 'CCDC 2165327'
loop_
_audit_author_name
_audit_author_address
'kyo yamagata'
;Kyoto University
Japan
;
_audit_update_record             
;
2022-04-08 deposited with the CCDC.	2022-06-28 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         'C15.5 H4.5 F5 N2 O0.25 Si0.5, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C16 H5.50 Cl F5 N2 O0.25 Si0.50'
_chemical_formula_weight         374.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           64
_space_group_name_H-M_alt        'C m c a'
_space_group_name_Hall           '-C 2bc 2'

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

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

_cell_length_a                   37.2939(5)
_cell_length_b                   11.99470(10)
_cell_length_c                   13.41800(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6002.26(10)
_cell_formula_units_Z            16
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    18526
_cell_measurement_theta_min      3.2870
_cell_measurement_theta_max      72.5870

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_F_000             2984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    3.220
_shelx_estimated_absorpt_T_min   0.538
_shelx_estimated_absorpt_T_max   0.969
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.32903
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  
;
 RIGAKU diffractometer with MicroMax-007HF generator, 
 VariMax optics, and PILATUS 200K hybrid pixel array detector
;
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            35902
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.369
_diffrn_reflns_theta_max         65.990
_diffrn_reflns_theta_full        65.990
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             2666
_reflns_number_gt                2506
_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)+(0.1227P)²+18.0126P] 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         2666
_refine_ls_number_parameters     242
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0750
_refine_ls_wR_factor_ref         0.2196
_refine_ls_wR_factor_gt          0.2175
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_restrained_S_all      1.169
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.0000 0.40511(10) 0.08473(8) 0.0306(4) Uani 1 2 d S T P . .
F1 F 0.13672(6) 0.39589(18) -0.06127(15) 0.0485(6) Uani 1 1 d . . . . .
O1 O 0.0000 0.5000 0.0000 0.0406(11) Uani 1 4 d S T P . .
F2 F 0.12587(7) 0.2833(3) 0.27526(18) 0.0728(9) Uani 1 1 d . . . . .
N1 N 0.03565(7) 0.4559(2) 0.16931(18) 0.0317(6) Uani 1 1 d . . . . .
N2 N 0.03225(8) 0.3003(2) 0.03837(19) 0.0351(6) Uani 1 1 d . . . . .
F3 F 0.20807(7) 0.3768(3) -0.0483(2) 0.0780(8) Uani 1 1 d . . . . .
C17 C 0.06872(9) 0.2902(3) 0.0400(2) 0.0358(7) Uani 1 1 d . . . . .
C18 C 0.08895(9) 0.3575(3) 0.1023(2) 0.0377(8) Uani 1 1 d . . . . .
C19 C 0.07275(9) 0.4378(3) 0.1636(2) 0.0380(8) Uani 1 1 d . . . . .
F4 F 0.19700(9) 0.2585(4) 0.2850(3) 0.1241(16) Uani 1 1 d . . . . .
F5 F 0.23879(8) 0.3061(4) 0.1238(3) 0.1216(15) Uani 1 1 d . . . . .
C22 C 0.03173(11) 0.5463(3) 0.2341(2) 0.0438(9) Uani 1 1 d . . . . .
C23 C 0.07825(10) 0.1993(3) -0.0239(3) 0.0422(8) Uani 1 1 d . . . . .
H1 H 0.1019 0.1738 -0.0373 0.051 Uiso 1 1 calc R U . . .
C24 C 0.01891(10) 0.2180(3) -0.0236(2) 0.0405(8) Uani 1 1 d . . . . .
C25 C 0.06618(12) 0.5803(3) 0.2677(3) 0.0512(10) Uani 1 1 d . . . . .
H2 H 0.0709 0.6399 0.3124 0.061 Uiso 1 1 calc R U . . .
C26 C 0.12853(10) 0.3413(3) 0.1071(3) 0.0433(8) Uani 1 1 d . . . . .
C27 C 0.09078(11) 0.5141(3) 0.2255(3) 0.0483(9) Uani 1 1 d . . . . .
H3 H 0.1160 0.5180 0.2356 0.058 Uiso 1 1 calc R U . . .
C28 C 0.15074(10) 0.3610(3) 0.0255(3) 0.0470(9) Uani 1 1 d . . . . .
C29 C 0.04734(10) 0.1558(3) -0.0621(3) 0.0468(9) Uani 1 1 d . . . . .
H4 H 0.0455 0.0945 -0.1066 0.056 Uiso 1 1 calc R U . . .
C30 C 0.0000 0.5906(4) 0.2632(4) 0.0467(12) Uani 1 2 d S T P . .
H5 H 0.0000 0.6543 0.3052 0.056 Uiso 1 2 calc R U P . .
C31 C 0.14563(12) 0.3063(4) 0.1932(3) 0.0585(11) Uani 1 1 d . . . . .
C32 C 0.18748(11) 0.3507(4) 0.0307(3) 0.0608(11) Uani 1 1 d . . . . .
C33 C 0.20311(13) 0.3161(5) 0.1185(4) 0.0793(15) Uani 1 1 d . . . . .
C34 C 0.18226(14) 0.2940(5) 0.1992(4) 0.0799(16) Uani 1 1 d . . . . .
C35 C 0.2982(3) -0.009(4) 0.4805(11) 0.171(6) Uani 0.5 1 d D U P A -1
H6 H 0.2864 -0.0824 0.4840 0.206 Uiso 0.5 1 calc R U P A -1
H7 H 0.2814 0.0458 0.5108 0.206 Uiso 0.5 1 calc R U P A -1
Cl1 Cl 0.3022(3) 0.0264(6) 0.3525(7) 0.237(4) Uani 0.5 1 d D U P A -1
Cl2 Cl 0.33665(11) -0.0145(5) 0.5585(5) 0.155(2) Uani 0.5 1 d D U P A -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
Si1 O1 1.6087(11) . ?
Si1 N2 1.848(3) 11 ?
Si1 N2 1.848(3) . ?
Si1 N1 1.851(3) 11 ?
Si1 N1 1.851(3) . ?
F1 C28 1.342(4) . ?
O1 Si1 1.6087(11) 9_565 ?
F2 C31 1.353(5) . ?
N1 C22 1.397(4) . ?
N1 C19 1.403(4) . ?
N2 C17 1.366(4) . ?
N2 C24 1.383(4) . ?
F3 C32 1.346(5) . ?
C17 C18 1.385(5) . ?
C17 C23 1.432(5) . ?
C18 C19 1.403(5) . ?
C18 C26 1.490(5) . ?
C19 C27 1.407(5) . ?
F4 C34 1.345(5) . ?
F5 C33 1.338(5) . ?
C22 C30 1.355(5) . ?
C22 C25 1.421(6) . ?
C23 C29 1.365(5) . ?
C23 H1 0.9500 . ?
C24 C29 1.395(5) . ?
C24 C24 1.411(7) 11 ?
C25 C27 1.339(6) . ?
C25 H2 0.9500 . ?
C26 C31 1.385(5) . ?
C26 C28 1.394(5) . ?
C27 H3 0.9500 . ?
C28 C32 1.378(6) . ?
C29 H4 0.9500 . ?
C30 C22 1.355(5) 11 ?
C30 H5 0.9500 . ?
C31 C34 1.376(7) . ?
C32 C33 1.379(7) . ?
C33 C34 1.359(8) . ?
C35 Cl1 1.774(10) . ?
C35 Cl2 1.777(9) . ?
C35 H6 0.9900 . ?
C35 H7 0.9900 . ?

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
O1 Si1 N2 104.09(9) . 11 ?
O1 Si1 N2 104.09(9) . . ?
N2 Si1 N2 81.22(17) 11 . ?
O1 Si1 N1 101.55(9) . 11 ?
N2 Si1 N1 87.88(12) 11 11 ?
N2 Si1 N1 153.88(13) . 11 ?
O1 Si1 N1 101.55(9) . . ?
N2 Si1 N1 153.88(13) 11 . ?
N2 Si1 N1 87.88(12) . . ?
N1 Si1 N1 91.81(17) 11 . ?
Si1 O1 Si1 180.0 . 9_565 ?
C22 N1 C19 104.9(3) . . ?
C22 N1 Si1 124.2(2) . . ?
C19 N1 Si1 128.6(2) . . ?
C17 N2 C24 107.8(3) . . ?
C17 N2 Si1 134.7(2) . . ?
C24 N2 Si1 117.0(2) . . ?
N2 C17 C18 120.1(3) . . ?
N2 C17 C23 107.7(3) . . ?
C18 C17 C23 132.0(3) . . ?
C17 C18 C19 121.3(3) . . ?
C17 C18 C26 119.3(3) . . ?
C19 C18 C26 119.4(3) . . ?
N1 C19 C18 124.3(3) . . ?
N1 C19 C27 109.8(3) . . ?
C18 C19 C27 125.9(4) . . ?
C30 C22 N1 125.1(4) . . ?
C30 C22 C25 125.8(4) . . ?
N1 C22 C25 109.0(3) . . ?
C29 C23 C17 107.8(3) . . ?
C29 C23 H1 126.1 . . ?
C17 C23 H1 126.1 . . ?
N2 C24 C29 109.3(3) . . ?
N2 C24 C24 111.08(19) . 11 ?
C29 C24 C24 139.4(2) . 11 ?
C27 C25 C22 108.4(3) . . ?
C27 C25 H2 125.8 . . ?
C22 C25 H2 125.8 . . ?
C31 C26 C28 115.7(4) . . ?
C31 C26 C18 122.1(3) . . ?
C28 C26 C18 122.2(3) . . ?
C25 C27 C19 107.9(4) . . ?
C25 C27 H3 126.0 . . ?
C19 C27 H3 126.0 . . ?
F1 C28 C32 117.3(3) . . ?
F1 C28 C26 120.2(3) . . ?
C32 C28 C26 122.4(4) . . ?
C23 C29 C24 107.4(3) . . ?
C23 C29 H4 126.3 . . ?
C24 C29 H4 126.3 . . ?
C22 C30 C22 121.7(5) . 11 ?
C22 C30 H5 119.1 . . ?
C22 C30 H5 119.1 11 . ?
F2 C31 C34 118.2(4) . . ?
F2 C31 C26 119.3(4) . . ?
C34 C31 C26 122.5(4) . . ?
F3 C32 C28 120.5(4) . . ?
F3 C32 C33 120.1(4) . . ?
C28 C32 C33 119.4(4) . . ?
F5 C33 C34 120.6(5) . . ?
F5 C33 C32 119.6(5) . . ?
C34 C33 C32 119.8(4) . . ?
F4 C34 C33 120.6(5) . . ?
F4 C34 C31 119.3(5) . . ?
C33 C34 C31 120.1(4) . . ?
Cl1 C35 Cl2 120.8(10) . . ?
Cl1 C35 H6 107.1 . . ?
Cl2 C35 H6 107.1 . . ?
Cl1 C35 H7 107.1 . . ?
Cl2 C35 H7 107.1 . . ?
H6 C35 H7 106.8 . . ?

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
O1 Si1 N1 C22 74.1(2) . . . . ?
N2 Si1 N1 C22 -116.9(3) 11 . . . ?
N2 Si1 N1 C22 178.1(2) . . . . ?
N1 Si1 N1 C22 -28.0(3) 11 . . . ?
O1 Si1 N1 C19 -86.0(3) . . . . ?
N2 Si1 N1 C19 83.0(4) 11 . . . ?
N2 Si1 N1 C19 18.0(3) . . . . ?
N1 Si1 N1 C19 171.8(2) 11 . . . ?
O1 Si1 N2 C17 81.9(3) . . . . ?
N2 Si1 N2 C17 -175.7(2) 11 . . . ?
N1 Si1 N2 C17 -109.3(4) 11 . . . ?
N1 Si1 N2 C17 -19.5(3) . . . . ?
O1 Si1 N2 C24 -88.0(2) . . . . ?
N2 Si1 N2 C24 14.5(3) 11 . . . ?
N1 Si1 N2 C24 80.9(4) 11 . . . ?
N1 Si1 N2 C24 170.7(2) . . . . ?
C24 N2 C17 C18 -175.3(3) . . . . ?
Si1 N2 C17 C18 14.1(5) . . . . ?
C24 N2 C17 C23 0.6(3) . . . . ?
Si1 N2 C17 C23 -169.9(2) . . . . ?
N2 C17 C18 C19 -0.8(5) . . . . ?
C23 C17 C18 C19 -175.6(3) . . . . ?
N2 C17 C18 C26 176.8(3) . . . . ?
C23 C17 C18 C26 2.0(5) . . . . ?
C22 N1 C19 C18 -176.8(3) . . . . ?
Si1 N1 C19 C18 -13.7(4) . . . . ?
C22 N1 C19 C27 1.3(3) . . . . ?
Si1 N1 C19 C27 164.4(2) . . . . ?
C17 C18 C19 N1 1.3(5) . . . . ?
C26 C18 C19 N1 -176.3(3) . . . . ?
C17 C18 C19 C27 -176.5(3) . . . . ?
C26 C18 C19 C27 5.9(5) . . . . ?
C19 N1 C22 C30 -178.2(4) . . . . ?
Si1 N1 C22 C30 17.8(5) . . . . ?
C19 N1 C22 C25 -0.8(3) . . . . ?
Si1 N1 C22 C25 -164.9(2) . . . . ?
N2 C17 C23 C29 -0.5(4) . . . . ?
C18 C17 C23 C29 174.7(3) . . . . ?
C17 N2 C24 C29 -0.4(4) . . . . ?
Si1 N2 C24 C29 172.0(2) . . . . ?
C17 N2 C24 C24 175.83(17) . . . 11 ?
Si1 N2 C24 C24 -11.7(2) . . . 11 ?
C30 C22 C25 C27 177.4(4) . . . . ?
N1 C22 C25 C27 0.1(4) . . . . ?
C17 C18 C26 C31 -115.4(4) . . . . ?
C19 C18 C26 C31 62.3(5) . . . . ?
C17 C18 C26 C28 65.0(5) . . . . ?
C19 C18 C26 C28 -117.4(4) . . . . ?
C22 C25 C27 C19 0.7(4) . . . . ?
N1 C19 C27 C25 -1.3(4) . . . . ?
C18 C19 C27 C25 176.7(3) . . . . ?
C31 C26 C28 F1 -179.6(4) . . . . ?
C18 C26 C28 F1 0.1(6) . . . . ?
C31 C26 C28 C32 -2.5(6) . . . . ?
C18 C26 C28 C32 177.2(4) . . . . ?
C17 C23 C29 C24 0.3(4) . . . . ?
N2 C24 C29 C23 0.1(4) . . . . ?
C24 C24 C29 C23 -174.51(19) 11 . . . ?
N1 C22 C30 C22 2.9(7) . . . 11 ?
C25 C22 C30 C22 -174.0(3) . . . 11 ?
C28 C26 C31 F2 -178.7(4) . . . . ?
C18 C26 C31 F2 1.6(6) . . . . ?
C28 C26 C31 C34 1.5(7) . . . . ?
C18 C26 C31 C34 -178.2(5) . . . . ?
F1 C28 C32 F3 1.1(6) . . . . ?
C26 C28 C32 F3 -176.1(4) . . . . ?
F1 C28 C32 C33 179.5(4) . . . . ?
C26 C28 C32 C33 2.3(7) . . . . ?
F3 C32 C33 F5 -1.5(8) . . . . ?
C28 C32 C33 F5 -179.9(5) . . . . ?
F3 C32 C33 C34 177.5(5) . . . . ?
C28 C32 C33 C34 -0.9(9) . . . . ?
F5 C33 C34 F4 -2.0(10) . . . . ?
C32 C33 C34 F4 179.0(6) . . . . ?
F5 C33 C34 C31 179.0(5) . . . . ?
C32 C33 C34 C31 0.0(10) . . . . ?
F2 C31 C34 F4 0.9(8) . . . . ?
C26 C31 C34 F4 -179.3(5) . . . . ?
F2 C31 C34 C33 179.9(5) . . . . ?
C26 C31 C34 C33 -0.3(9) . . . . ?

_refine_diff_density_max         0.622
_refine_diff_density_min         -0.646
_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_201117yamagata2
_database_code_depnum_ccdc_archive 'CCDC 2165330'
loop_
_audit_author_name
_audit_author_address
'kyo yamagata'
;Kyoto University
Japan
;
_audit_update_record             
;
2022-04-08 deposited with the CCDC.	2022-06-28 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         'C74 H26 F20 N8 O Si2, C H2 Cl2'
_chemical_formula_sum            'C75 H28 Cl2 F20 N8 O Si2'
_chemical_formula_weight         1564.13

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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                   10.29050(10)
_cell_length_b                   11.12560(10)
_cell_length_c                   15.3136(2)
_cell_angle_alpha                108.1920(10)
_cell_angle_beta                 104.2160(10)
_cell_angle_gamma                97.5060(10)
_cell_volume                     1573.15(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    14569
_cell_measurement_theta_min      3.2090
_cell_measurement_theta_max      72.5020

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_F_000             784
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    2.341
_shelx_estimated_absorpt_T_min   0.766
_shelx_estimated_absorpt_T_max   0.977
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.67206
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            19824
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.189
_diffrn_reflns_theta_max         66.975
_diffrn_reflns_theta_full        66.976
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_point_group_measured_fraction_full 0.963
_reflns_number_total             5407
_reflns_number_gt                4831
_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)+(0.0746P)²+1.2125P] 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         5407
_refine_ls_number_parameters     517
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0460
_refine_ls_wR_factor_ref         0.1318
_refine_ls_wR_factor_gt          0.1289
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.091
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.40205(5) 0.10210(5) 0.51344(4) 0.02101(16) Uani 1 1 d . . . . .
F6 F -0.00196(14) 0.11503(13) 0.19965(10) 0.0341(3) Uani 1 1 d . . . . .
F7 F -0.16520(14) 0.01135(15) 0.01638(10) 0.0382(4) Uani 1 1 d . . . . .
F8 F 0.11233(14) -0.28985(13) 0.17506(11) 0.0352(3) Uani 1 1 d . . . . .
O1 O 0.5000 0.0000 0.5000 0.0232(4) Uani 1 2 d S . P . .
F2 F 0.52532(15) 0.53183(14) 0.84674(11) 0.0416(4) Uani 1 1 d . . . . .
F9 F -0.18823(14) -0.24294(15) -0.08977(10) 0.0416(4) Uani 1 1 d . . . . .
F10 F -0.04692(14) -0.39026(14) -0.00948(11) 0.0400(4) Uani 1 1 d . . . . .
F1 F 0.67845(15) 0.16436(16) 0.88632(12) 0.0448(4) Uani 1 1 d . . . . .
F3 F 0.64720(19) 0.66590(17) 1.03520(13) 0.0642(6) Uani 1 1 d . . . . .
F4 F 0.80127(18) 0.3006(2) 1.07450(13) 0.0708(6) Uani 1 1 d . . . . .
N2 N 0.22681(17) -0.00399(17) 0.45916(13) 0.0234(4) Uani 1 1 d . . . . .
N3 N 0.52824(18) 0.25827(17) 0.58711(13) 0.0229(4) Uani 1 1 d . . . . .
N1 N 0.36133(18) 0.10216(17) 0.62430(13) 0.0241(4) Uani 1 1 d . . . . .
F5 F 0.7878(2) 0.5540(2) 1.14991(12) 0.0818(8) Uani 1 1 d . . . . .
N4 N 0.37609(18) 0.14085(18) 0.40253(14) 0.0251(4) Uani 1 1 d . . . . .
C38 C 0.6105(2) 0.3301(2) 0.55194(17) 0.0249(5) Uani 1 1 d . . . . .
C39 C 0.1366(2) -0.0616(2) 0.36721(16) 0.0250(5) Uani 1 1 d . . . . .
C40 C 0.5834(2) 0.3131(2) 0.68796(16) 0.0252(5) Uani 1 1 d . . . . .
C41 C 0.2512(2) 0.0082(2) 0.61428(17) 0.0254(5) Uani 1 1 d . . . . .
C42 C 0.1726(2) -0.0535(2) 0.51782(16) 0.0243(5) Uani 1 1 d . . . . .
C43 C 0.0252(2) -0.1501(2) 0.36892(17) 0.0278(5) Uani 1 1 d . . . . .
H1 H -0.0510 -0.2036 0.3151 0.033 Uiso 1 1 calc R U . . .
C44 C 0.4257(2) 0.1655(2) 0.72180(16) 0.0267(5) Uani 1 1 d . . . . .
C45 C 0.0477(2) -0.1444(2) 0.46253(17) 0.0274(5) Uani 1 1 d . . . . .
H2 H -0.0101 -0.1925 0.4856 0.033 Uiso 1 1 calc R U . . .
C46 C 0.2770(2) 0.0716(2) 0.31187(17) 0.0273(5) Uani 1 1 d . . . . .
C47 C 0.4729(2) 0.2234(2) 0.38448(17) 0.0266(5) Uani 1 1 d . . . . .
C48 C 0.5359(2) 0.2708(2) 0.75370(17) 0.0269(5) Uani 1 1 d . . . . .
C49 C 0.7143(2) 0.4275(2) 0.63019(17) 0.0282(5) Uani 1 1 d . . . . .
H3 H 0.7834 0.4886 0.6255 0.034 Uiso 1 1 calc R U . . .
C50 C 0.1618(2) -0.0235(2) 0.29374(17) 0.0267(5) Uani 1 1 d . . . . .
C51 C 0.6972(2) 0.4177(2) 0.71293(17) 0.0286(5) Uani 1 1 d . . . . .
H4 H 0.7519 0.4714 0.7766 0.034 Uiso 1 1 calc R U . . .
C52 C 0.5868(2) 0.3117(2) 0.45485(16) 0.0252(5) Uani 1 1 d . . . . .
C54 C -0.0108(2) -0.0106(2) 0.15012(17) 0.0277(5) Uani 1 1 d . . . . .
C55 C 0.0640(2) -0.0830(2) 0.19404(17) 0.0278(5) Uani 1 1 d . . . . .
C56 C 0.2474(2) 0.0100(2) 0.70576(17) 0.0299(5) Uani 1 1 d . . . . .
H5 H 0.1829 -0.0459 0.7189 0.036 Uiso 1 1 calc R U . . .
C57 C -0.0961(2) -0.0629(2) 0.05586(18) 0.0304(5) Uani 1 1 d . . . . .
C58 C -0.1080(2) -0.1910(2) 0.00194(17) 0.0321(5) Uani 1 1 d . . . . .
C59 C 0.4336(2) 0.2051(2) 0.28510(18) 0.0330(5) Uani 1 1 d . . . . .
H6 H 0.4821 0.2494 0.2547 0.040 Uiso 1 1 calc R U . . .
C60 C -0.0368(2) -0.2661(2) 0.04324(18) 0.0315(5) Uani 1 1 d . . . . .
C61 C 0.6000(2) 0.3437(2) 0.85890(17) 0.0309(5) Uani 1 1 d . . . . .
C62 C 0.3147(2) 0.1136(2) 0.24113(18) 0.0325(5) Uani 1 1 d . . . . .
H7 H 0.2650 0.0827 0.1744 0.039 Uiso 1 1 calc R U . . .
C63 C 0.3543(2) 0.1078(2) 0.77247(18) 0.0320(5) Uani 1 1 d . . . . .
H8 H 0.3767 0.1326 0.8406 0.038 Uiso 1 1 calc R U . . .
C64 C 0.0452(2) -0.2124(2) 0.13818(18) 0.0293(5) Uani 1 1 d . . . . .
C65 C 0.5941(2) 0.4719(3) 0.90066(18) 0.0356(6) Uani 1 1 d . . . . .
C66 C 0.6689(3) 0.2883(3) 0.92095(19) 0.0392(6) Uani 1 1 d . . . . .
C68 C 0.6559(3) 0.5419(3) 0.9980(2) 0.0483(8) Uani 1 1 d . . . . .
C69 C 0.7321(3) 0.3570(4) 1.0180(2) 0.0506(8) Uani 1 1 d . . . . .
C70 C 0.7253(3) 0.4843(4) 1.0564(2) 0.0568(9) Uani 1 1 d . . . . .
C79 C 0.68566(15) 0.39045(15) 0.42450(14) 0.0257(5) Uani 1 1 d G . . . .
C80 C 0.8043(2) 0.34951(19) 0.4129(2) 0.0970(18) Uani 1 1 d G . . . .
H18 H 0.8244 0.2755 0.4271 0.116 Uiso 1 1 calc R U . . .
C81 C 0.8936(2) 0.4168(2) 0.3803(2) 0.110(2) Uani 1 1 d G . . . .
H19 H 0.9747 0.3888 0.3723 0.132 Uiso 1 1 calc R U . . .
C82 C 0.86429(17) 0.52506(18) 0.35941(16) 0.0397(6) Uani 1 1 d G . . . .
H20 H 0.9253 0.5711 0.3372 0.048 Uiso 1 1 calc R U . . .
C83 C 0.74562(19) 0.56600(17) 0.37106(18) 0.0568(9) Uani 1 1 d G . . . .
H21 H 0.7256 0.6400 0.3568 0.068 Uiso 1 1 calc R U . . .
C84 C 0.65630(16) 0.49869(18) 0.40361(18) 0.0573(9) Uani 1 1 d G . . . .
H22 H 0.5752 0.5267 0.4116 0.069 Uiso 1 1 calc R U . . .
Cl1 Cl 0.4779(3) 0.1813(3) 0.0548(2) 0.0157(7) Uani 0.25 1 d D U P A -1
Cl2 Cl 0.5166(11) 0.0738(10) 0.0436(8) 0.122(4) Uani 0.25 1 d D U P B -2
C78 C 0.622(2) -0.0381(15) 0.0483(17) 0.149(5) Uani 0.25 1 d D U P B -2
H14 H 0.6362 -0.0560 0.1090 0.179 Uiso 0.25 1 calc R U P B -2
H15 H 0.7124 -0.0074 0.0415 0.179 Uiso 0.25 1 calc R U P B -2
Cl4 Cl 0.5215(11) -0.1757(13) -0.0531(8) 0.114(3) Uani 0.25 1 d D U P B -2
Cl3 Cl 0.5077(4) -0.0867(4) -0.0250(3) 0.0266(7) Uani 0.25 1 d D U P A -1
C77 C 0.5513(12) 0.0541(8) 0.0810(6) 0.024(2) Uani 0.25 1 d D U P A -1
H16 H 0.6526 0.0843 0.1075 0.028 Uiso 0.25 1 calc R U P A -1
H17 H 0.5167 0.0324 0.1304 0.028 Uiso 0.25 1 calc R U P A -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
Si1 O1 1.6136(5) . ?
Si1 N1 1.8456(19) . ?
Si1 N4 1.8457(19) . ?
Si1 N2 1.8523(18) . ?
Si1 N3 1.8560(19) . ?
F6 C54 1.345(3) . ?
F7 C57 1.345(3) . ?
F8 C64 1.344(3) . ?
O1 Si1 1.6136(5) 2_656 ?
F2 C65 1.345(3) . ?
F9 C58 1.337(3) . ?
F10 C60 1.340(3) . ?
F1 C66 1.340(3) . ?
F3 C68 1.343(4) . ?
F4 C69 1.343(4) . ?
N2 C39 1.376(3) . ?
N2 C42 1.377(3) . ?
N3 C38 1.400(3) . ?
N3 C40 1.404(3) . ?
N1 C44 1.378(3) . ?
N1 C41 1.380(3) . ?
F5 C70 1.338(3) . ?
N4 C47 1.402(3) . ?
N4 C46 1.411(3) . ?
C38 C52 1.389(3) . ?
C38 C49 1.417(3) . ?
C39 C50 1.388(3) . ?
C39 C43 1.421(3) . ?
C40 C48 1.397(3) . ?
C40 C51 1.421(3) . ?
C41 C42 1.394(3) . ?
C41 C56 1.405(3) . ?
C42 C45 1.408(3) . ?
C43 C45 1.374(3) . ?
C43 H1 0.9500 . ?
C44 C48 1.386(3) . ?
C44 C63 1.422(3) . ?
C45 H2 0.9500 . ?
C46 C50 1.389(3) . ?
C46 C62 1.420(3) . ?
C47 C52 1.385(3) . ?
C47 C59 1.416(3) . ?
C48 C61 1.487(3) . ?
C49 C51 1.356(3) . ?
C49 H3 0.9500 . ?
C50 C55 1.491(3) . ?
C51 H4 0.9500 . ?
C52 C79 1.507(2) . ?
C54 C57 1.383(3) . ?
C54 C55 1.393(3) . ?
C55 C64 1.385(3) . ?
C56 C63 1.371(3) . ?
C56 H5 0.9500 . ?
C57 C58 1.378(4) . ?
C58 C60 1.378(3) . ?
C59 C62 1.352(3) . ?
C59 H6 0.9500 . ?
C60 C64 1.380(3) . ?
C61 C65 1.385(4) . ?
C61 C66 1.391(4) . ?
C62 H7 0.9500 . ?
C63 H8 0.9500 . ?
C65 C68 1.383(4) . ?
C66 C69 1.379(4) . ?
C68 C70 1.373(5) . ?
C69 C70 1.372(5) . ?
C79 C80 1.3900 . ?
C79 C84 1.3900 . ?
C80 C81 1.3900 . ?
C80 H18 0.9500 . ?
C81 C82 1.3900 . ?
C81 H19 0.9500 . ?
C82 C83 1.3900 . ?
C82 H20 0.9500 . ?
C83 C84 1.3900 . ?
C83 H21 0.9500 . ?
C84 H22 0.9500 . ?
Cl1 C77 1.795(8) . ?
Cl2 C78 1.761(10) . ?
C78 Cl4 1.772(10) . ?
C78 H14 0.9900 . ?
C78 H15 0.9900 . ?
Cl3 C77 1.778(8) . ?
C77 H16 0.9900 . ?
C77 H17 0.9900 . ?

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
O1 Si1 N1 103.09(6) . . ?
O1 Si1 N4 103.07(6) . . ?
N1 Si1 N4 153.15(8) . . ?
O1 Si1 N2 103.04(6) . . ?
N1 Si1 N2 80.38(8) . . ?
N4 Si1 N2 87.91(8) . . ?
O1 Si1 N3 102.24(6) . . ?
N1 Si1 N3 87.98(8) . . ?
N4 Si1 N3 92.36(8) . . ?
N2 Si1 N3 153.98(8) . . ?
Si1 O1 Si1 180.0 . 2_656 ?
C39 N2 C42 107.10(18) . . ?
C39 N2 Si1 135.21(15) . . ?
C42 N2 Si1 117.19(15) . . ?
C38 N3 C40 105.32(17) . . ?
C38 N3 Si1 125.26(15) . . ?
C40 N3 Si1 128.01(15) . . ?
C44 N1 C41 107.10(18) . . ?
C44 N1 Si1 135.05(15) . . ?
C41 N1 Si1 117.27(15) . . ?
C47 N4 C46 105.07(18) . . ?
C47 N4 Si1 125.33(15) . . ?
C46 N4 Si1 127.64(15) . . ?
C52 C38 N3 124.1(2) . . ?
C52 C38 C49 126.1(2) . . ?
N3 C38 C49 109.7(2) . . ?
N2 C39 C50 119.42(19) . . ?
N2 C39 C43 108.65(19) . . ?
C50 C39 C43 131.8(2) . . ?
C48 C40 N3 125.7(2) . . ?
C48 C40 C51 125.1(2) . . ?
N3 C40 C51 109.14(19) . . ?
N1 C41 C42 111.09(19) . . ?
N1 C41 C56 109.7(2) . . ?
C42 C41 C56 139.0(2) . . ?
N2 C42 C41 111.11(19) . . ?
N2 C42 C45 109.7(2) . . ?
C41 C42 C45 139.0(2) . . ?
C45 C43 C39 107.6(2) . . ?
C45 C43 H1 126.2 . . ?
C39 C43 H1 126.2 . . ?
N1 C44 C48 119.9(2) . . ?
N1 C44 C63 108.3(2) . . ?
C48 C44 C63 131.8(2) . . ?
C43 C45 C42 107.0(2) . . ?
C43 C45 H2 126.5 . . ?
C42 C45 H2 126.5 . . ?
C50 C46 N4 125.9(2) . . ?
C50 C46 C62 125.1(2) . . ?
N4 C46 C62 109.01(19) . . ?
C52 C47 N4 124.3(2) . . ?
C52 C47 C59 125.9(2) . . ?
N4 C47 C59 109.73(19) . . ?
C44 C48 C40 120.7(2) . . ?
C44 C48 C61 119.8(2) . . ?
C40 C48 C61 119.5(2) . . ?
C51 C49 C38 107.7(2) . . ?
C51 C49 H3 126.1 . . ?
C38 C49 H3 126.1 . . ?
C39 C50 C46 120.8(2) . . ?
C39 C50 C55 120.2(2) . . ?
C46 C50 C55 118.9(2) . . ?
C49 C51 C40 108.1(2) . . ?
C49 C51 H4 125.9 . . ?
C40 C51 H4 125.9 . . ?
C47 C52 C38 121.6(2) . . ?
C47 C52 C79 118.6(2) . . ?
C38 C52 C79 119.75(19) . . ?
F6 C54 C57 117.5(2) . . ?
F6 C54 C55 120.0(2) . . ?
C57 C54 C55 122.5(2) . . ?
C64 C55 C54 115.8(2) . . ?
C64 C55 C50 122.2(2) . . ?
C54 C55 C50 121.9(2) . . ?
C63 C56 C41 106.9(2) . . ?
C63 C56 H5 126.5 . . ?
C41 C56 H5 126.5 . . ?
F7 C57 C58 120.1(2) . . ?
F7 C57 C54 120.3(2) . . ?
C58 C57 C54 119.6(2) . . ?
F9 C58 C60 119.9(2) . . ?
F9 C58 C57 120.6(2) . . ?
C60 C58 C57 119.5(2) . . ?
C62 C59 C47 107.9(2) . . ?
C62 C59 H6 126.0 . . ?
C47 C59 H6 126.0 . . ?
F10 C60 C58 119.6(2) . . ?
F10 C60 C64 120.7(2) . . ?
C58 C60 C64 119.7(2) . . ?
C65 C61 C66 116.1(2) . . ?
C65 C61 C48 121.4(2) . . ?
C66 C61 C48 122.5(2) . . ?
C59 C62 C46 108.3(2) . . ?
C59 C62 H7 125.9 . . ?
C46 C62 H7 125.9 . . ?
C56 C63 C44 108.0(2) . . ?
C56 C63 H8 126.0 . . ?
C44 C63 H8 126.0 . . ?
F8 C64 C60 117.3(2) . . ?
F8 C64 C55 119.9(2) . . ?
C60 C64 C55 122.7(2) . . ?
F2 C65 C68 117.8(3) . . ?
F2 C65 C61 120.2(2) . . ?
C68 C65 C61 122.0(3) . . ?
F1 C66 C69 117.6(3) . . ?
F1 C66 C61 119.8(2) . . ?
C69 C66 C61 122.6(3) . . ?
F3 C68 C70 120.1(3) . . ?
F3 C68 C65 119.9(3) . . ?
C70 C68 C65 120.0(3) . . ?
F4 C69 C70 120.1(3) . . ?
F4 C69 C66 120.4(3) . . ?
C70 C69 C66 119.5(3) . . ?
F5 C70 C68 119.4(3) . . ?
F5 C70 C69 120.8(3) . . ?
C68 C70 C69 119.8(3) . . ?
C80 C79 C84 120.0 . . ?
C80 C79 C52 118.91(12) . . ?
C84 C79 C52 121.01(12) . . ?
C81 C80 C79 120.0 . . ?
C81 C80 H18 120.0 . . ?
C79 C80 H18 120.0 . . ?
C80 C81 C82 120.0 . . ?
C80 C81 H19 120.0 . . ?
C82 C81 H19 120.0 . . ?
C83 C82 C81 120.0 . . ?
C83 C82 H20 120.0 . . ?
C81 C82 H20 120.0 . . ?
C82 C83 C84 120.0 . . ?
C82 C83 H21 120.0 . . ?
C84 C83 H21 120.0 . . ?
C83 C84 C79 120.0 . . ?
C83 C84 H22 120.0 . . ?
C79 C84 H22 120.0 . . ?
Cl2 C78 Cl4 100.8(11) . . ?
Cl2 C78 H14 111.7 . . ?
Cl4 C78 H14 111.7 . . ?
Cl2 C78 H15 111.5 . . ?
Cl4 C78 H15 111.5 . . ?
H14 C78 H15 109.4 . . ?
Cl3 C77 Cl1 110.6(4) . . ?
Cl3 C77 H16 109.5 . . ?
Cl1 C77 H16 109.5 . . ?
Cl3 C77 H17 109.5 . . ?
Cl1 C77 H17 109.5 . . ?
H16 C77 H17 108.1 . . ?

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
O1 Si1 N2 C39 -84.5(2) . . . . ?
N1 Si1 N2 C39 174.1(2) . . . . ?
N4 Si1 N2 C39 18.4(2) . . . . ?
N3 Si1 N2 C39 109.5(3) . . . . ?
O1 Si1 N2 C42 86.12(15) . . . . ?
N1 Si1 N2 C42 -15.21(15) . . . . ?
N4 Si1 N2 C42 -170.94(16) . . . . ?
N3 Si1 N2 C42 -79.8(2) . . . . ?
O1 Si1 N3 C38 77.54(17) . . . . ?
N1 Si1 N3 C38 -179.51(17) . . . . ?
N4 Si1 N3 C38 -26.38(18) . . . . ?
N2 Si1 N3 C38 -116.5(2) . . . . ?
O1 Si1 N3 C40 -86.92(17) . . . . ?
N1 Si1 N3 C40 16.04(18) . . . . ?
N4 Si1 N3 C40 169.17(18) . . . . ?
N2 Si1 N3 C40 79.1(3) . . . . ?
O1 Si1 N1 C44 84.0(2) . . . . ?
N4 Si1 N1 C44 -109.3(3) . . . . ?
N2 Si1 N1 C44 -174.7(2) . . . . ?
N3 Si1 N1 C44 -18.1(2) . . . . ?
O1 Si1 N1 C41 -85.92(15) . . . . ?
N4 Si1 N1 C41 80.7(2) . . . . ?
N2 Si1 N1 C41 15.35(15) . . . . ?
N3 Si1 N1 C41 171.98(16) . . . . ?
O1 Si1 N4 C47 -76.47(18) . . . . ?
N1 Si1 N4 C47 116.9(2) . . . . ?
N2 Si1 N4 C47 -179.37(19) . . . . ?
N3 Si1 N4 C47 26.67(19) . . . . ?
O1 Si1 N4 C46 85.15(18) . . . . ?
N1 Si1 N4 C46 -81.5(3) . . . . ?
N2 Si1 N4 C46 -17.75(19) . . . . ?
N3 Si1 N4 C46 -171.70(19) . . . . ?
C40 N3 C38 C52 -176.6(2) . . . . ?
Si1 N3 C38 C52 16.0(3) . . . . ?
C40 N3 C38 C49 0.0(2) . . . . ?
Si1 N3 C38 C49 -167.39(15) . . . . ?
C42 N2 C39 C50 176.18(19) . . . . ?
Si1 N2 C39 C50 -12.5(3) . . . . ?
C42 N2 C39 C43 -0.9(2) . . . . ?
Si1 N2 C39 C43 170.44(16) . . . . ?
C38 N3 C40 C48 -178.6(2) . . . . ?
Si1 N3 C40 C48 -11.7(3) . . . . ?
C38 N3 C40 C51 0.4(2) . . . . ?
Si1 N3 C40 C51 167.31(15) . . . . ?
C44 N1 C41 C42 174.76(18) . . . . ?
Si1 N1 C41 C42 -12.7(2) . . . . ?
C44 N1 C41 C56 -1.2(2) . . . . ?
Si1 N1 C41 C56 171.32(15) . . . . ?
C39 N2 C42 C41 -174.63(17) . . . . ?
Si1 N2 C42 C41 12.2(2) . . . . ?
C39 N2 C42 C45 0.6(2) . . . . ?
Si1 N2 C42 C45 -172.50(14) . . . . ?
N1 C41 C42 N2 0.2(2) . . . . ?
C56 C41 C42 N2 174.5(3) . . . . ?
N1 C41 C42 C45 -173.0(3) . . . . ?
C56 C41 C42 C45 1.3(5) . . . . ?
N2 C39 C43 C45 0.8(2) . . . . ?
C50 C39 C43 C45 -175.8(2) . . . . ?
C41 N1 C44 C48 -176.16(19) . . . . ?
Si1 N1 C44 C48 13.2(3) . . . . ?
C41 N1 C44 C63 0.7(2) . . . . ?
Si1 N1 C44 C63 -169.89(17) . . . . ?
C39 C43 C45 C42 -0.4(2) . . . . ?
N2 C42 C45 C43 -0.1(2) . . . . ?
C41 C42 C45 C43 173.1(3) . . . . ?
C47 N4 C46 C50 179.0(2) . . . . ?
Si1 N4 C46 C50 14.4(3) . . . . ?
C47 N4 C46 C62 -0.4(2) . . . . ?
Si1 N4 C46 C62 -164.91(16) . . . . ?
C46 N4 C47 C52 178.3(2) . . . . ?
Si1 N4 C47 C52 -16.7(3) . . . . ?
C46 N4 C47 C59 0.2(2) . . . . ?
Si1 N4 C47 C59 165.18(16) . . . . ?
N1 C44 C48 C40 -0.5(3) . . . . ?
C63 C44 C48 C40 -176.5(2) . . . . ?
N1 C44 C48 C61 176.5(2) . . . . ?
C63 C44 C48 C61 0.4(4) . . . . ?
N3 C40 C48 C44 0.5(3) . . . . ?
C51 C40 C48 C44 -178.4(2) . . . . ?
N3 C40 C48 C61 -176.5(2) . . . . ?
C51 C40 C48 C61 4.6(3) . . . . ?
C52 C38 C49 C51 176.1(2) . . . . ?
N3 C38 C49 C51 -0.4(3) . . . . ?
N2 C39 C50 C46 0.2(3) . . . . ?
C43 C39 C50 C46 176.5(2) . . . . ?
N2 C39 C50 C55 -178.91(19) . . . . ?
C43 C39 C50 C55 -2.7(4) . . . . ?
N4 C46 C50 C39 -1.8(4) . . . . ?
C62 C46 C50 C39 177.4(2) . . . . ?
N4 C46 C50 C55 177.3(2) . . . . ?
C62 C46 C50 C55 -3.5(3) . . . . ?
C38 C49 C51 C40 0.6(3) . . . . ?
C48 C40 C51 C49 178.4(2) . . . . ?
N3 C40 C51 C49 -0.7(2) . . . . ?
N4 C47 C52 C38 -3.4(3) . . . . ?
C59 C47 C52 C38 174.4(2) . . . . ?
N4 C47 C52 C79 177.51(18) . . . . ?
C59 C47 C52 C79 -4.7(3) . . . . ?
N3 C38 C52 C47 3.7(3) . . . . ?
C49 C38 C52 C47 -172.4(2) . . . . ?
N3 C38 C52 C79 -177.24(18) . . . . ?
C49 C38 C52 C79 6.7(3) . . . . ?
F6 C54 C55 C64 178.22(19) . . . . ?
C57 C54 C55 C64 -1.6(3) . . . . ?
F6 C54 C55 C50 -3.8(3) . . . . ?
C57 C54 C55 C50 176.3(2) . . . . ?
C39 C50 C55 C64 -67.1(3) . . . . ?
C46 C50 C55 C64 113.8(2) . . . . ?
C39 C50 C55 C54 115.1(2) . . . . ?
C46 C50 C55 C54 -64.0(3) . . . . ?
N1 C41 C56 C63 1.3(3) . . . . ?
C42 C41 C56 C63 -173.0(3) . . . . ?
F6 C54 C57 F7 0.8(3) . . . . ?
C55 C54 C57 F7 -179.35(19) . . . . ?
F6 C54 C57 C58 179.64(19) . . . . ?
C55 C54 C57 C58 -0.5(3) . . . . ?
F7 C57 C58 F9 -0.1(3) . . . . ?
C54 C57 C58 F9 -179.0(2) . . . . ?
F7 C57 C58 C60 -180.0(2) . . . . ?
C54 C57 C58 C60 1.2(3) . . . . ?
C52 C47 C59 C62 -178.0(2) . . . . ?
N4 C47 C59 C62 0.1(3) . . . . ?
F9 C58 C60 F10 1.0(3) . . . . ?
C57 C58 C60 F10 -179.2(2) . . . . ?
F9 C58 C60 C64 -179.5(2) . . . . ?
C57 C58 C60 C64 0.3(3) . . . . ?
C44 C48 C61 C65 -114.6(3) . . . . ?
C40 C48 C61 C65 62.4(3) . . . . ?
C44 C48 C61 C66 65.3(3) . . . . ?
C40 C48 C61 C66 -117.7(2) . . . . ?
C47 C59 C62 C46 -0.3(3) . . . . ?
C50 C46 C62 C59 -178.9(2) . . . . ?
N4 C46 C62 C59 0.4(3) . . . . ?
C41 C56 C63 C44 -0.8(3) . . . . ?
N1 C44 C63 C56 0.0(3) . . . . ?
C48 C44 C63 C56 176.4(2) . . . . ?
F10 C60 C64 F8 -0.6(3) . . . . ?
C58 C60 C64 F8 179.89(19) . . . . ?
F10 C60 C64 C55 176.8(2) . . . . ?
C58 C60 C64 C55 -2.7(4) . . . . ?
C54 C55 C64 F8 -179.39(19) . . . . ?
C50 C55 C64 F8 2.7(3) . . . . ?
C54 C55 C64 C60 3.2(3) . . . . ?
C50 C55 C64 C60 -174.7(2) . . . . ?
C66 C61 C65 F2 -177.6(2) . . . . ?
C48 C61 C65 F2 2.3(3) . . . . ?
C66 C61 C65 C68 1.6(3) . . . . ?
C48 C61 C65 C68 -178.5(2) . . . . ?
C65 C61 C66 F1 179.6(2) . . . . ?
C48 C61 C66 F1 -0.4(3) . . . . ?
C65 C61 C66 C69 -2.1(3) . . . . ?
C48 C61 C66 C69 177.9(2) . . . . ?
F2 C65 C68 F3 -0.7(3) . . . . ?
C61 C65 C68 F3 -179.9(2) . . . . ?
F2 C65 C68 C70 178.9(2) . . . . ?
C61 C65 C68 C70 -0.3(4) . . . . ?
F1 C66 C69 F4 0.6(4) . . . . ?
C61 C66 C69 F4 -177.8(2) . . . . ?
F1 C66 C69 C70 179.8(2) . . . . ?
C61 C66 C69 C70 1.4(4) . . . . ?
F3 C68 C70 F5 -2.2(4) . . . . ?
C65 C68 C70 F5 178.2(2) . . . . ?
F3 C68 C70 C69 179.1(2) . . . . ?
C65 C68 C70 C69 -0.5(4) . . . . ?
F4 C69 C70 F5 0.5(4) . . . . ?
C66 C69 C70 F5 -178.7(2) . . . . ?
F4 C69 C70 C68 179.2(2) . . . . ?
C66 C69 C70 C68 -0.1(4) . . . . ?
C47 C52 C79 C80 -97.6(2) . . . . ?
C38 C52 C79 C80 83.3(2) . . . . ?
C47 C52 C79 C84 79.2(2) . . . . ?
C38 C52 C79 C84 -99.9(2) . . . . ?
C84 C79 C80 C81 0.0 . . . . ?
C52 C79 C80 C81 176.81(18) . . . . ?
C79 C80 C81 C82 0.0 . . . . ?
C80 C81 C82 C83 0.0 . . . . ?
C81 C82 C83 C84 0.0 . . . . ?
C82 C83 C84 C79 0.0 . . . . ?
C80 C79 C84 C83 0.0 . . . . ?
C52 C79 C84 C83 -176.74(18) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C59 H6 Cl4 0.95 2.93 3.615(12) 130.4 2_655
C62 H7 F9 0.95 2.61 3.198(3) 120.8 2
C63 H8 F3 0.95 2.53 3.227(3) 130.1 2_667
C63 H8 Cl1 0.95 3.03 3.974(4) 170.8 1_556
C78 H15 F7 0.99 1.41 2.39(3) 168.4 1_655
C77 H16 F7 0.99 2.66 3.348(12) 126.4 1_655

_refine_diff_density_max         0.664
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.060

####################################################################### 
# 
# 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_210210yamagata
_database_code_depnum_ccdc_archive 'CCDC 2165328'
loop_
_audit_author_name
_audit_author_address
'kyo yamagata'
;Kyoto University
Japan
;
_audit_update_record             
;
2022-04-08 deposited with the CCDC.	2022-06-28 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            'C37 H25 F10 N4 O Si2'
_chemical_formula_weight         787.79

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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                   8.2034(3)
_cell_length_b                   13.6311(5)
_cell_length_c                   15.9823(6)
_cell_angle_alpha                96.950(3)
_cell_angle_beta                 103.794(3)
_cell_angle_gamma                100.029(3)
_cell_volume                     1684.24(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    10505
_cell_measurement_theta_min      3.3180
_cell_measurement_theta_max      72.5720

_exptl_crystal_description       Prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_F_000             802
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.070
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    1.812
_shelx_estimated_absorpt_T_min   0.884
_shelx_estimated_absorpt_T_max   0.982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.82212
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            21626
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.889
_diffrn_reflns_theta_max         65.981
_diffrn_reflns_theta_full        65.981
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measured_fraction_theta_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_point_group_measured_fraction_full 0.969
_reflns_number_total             5692
_reflns_number_gt                4425
_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)+(0.0801P)²+1.1512P] 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         5692
_refine_ls_number_parameters     720
_refine_ls_number_restraints     1674
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0564
_refine_ls_wR_factor_ref         0.1663
_refine_ls_wR_factor_gt          0.1546
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      0.926
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6946(8) 0.0417(6) 0.3286(4) 0.0694(18) Uani 0.676(4) 1 d . U P A 1
C2 C 0.6760(14) -0.0406(7) 0.3748(6) 0.065(3) Uani 0.676(4) 1 d . U P A 1
H1 H 0.7665 -0.0607 0.4135 0.078 Uiso 0.676(4) 1 calc R U P A 1
C3 C 0.5084(11) -0.0853(6) 0.3544(5) 0.0721(19) Uani 0.676(4) 1 d . U P A 1
H2 H 0.4607 -0.1437 0.3745 0.087 Uiso 0.676(4) 1 calc R U P A 1
C4 C 0.4185(18) -0.0314(12) 0.2994(10) 0.060(4) Uani 0.676(4) 1 d . U P A 1
C5 C 0.2354(5) -0.0504(3) 0.25661(19) 0.0616(8) Uani 1 1 d . U . . .
C6 C 0.180(2) 0.0180(12) 0.1939(8) 0.043(2) Uani 0.676(4) 1 d . U P A 1
C7 C 0.050(4) 0.021(3) 0.151(3) 0.046(5) Uani 0.324(4) 1 d . U P A 2
H3 H -0.0604 -0.0201 0.1436 0.055 Uiso 0.324(4) 1 calc R U P A 2
C8 C 0.0115(12) 0.0808(10) 0.0946(9) 0.058(3) Uani 0.676(4) 1 d . U P A 1
H4 H -0.0854 0.0931 0.0544 0.069 Uiso 0.676(4) 1 calc R U P A 1
C9 C 0.1815(12) 0.1388(6) 0.1143(5) 0.0488(17) Uani 0.676(4) 1 d . U P A 1
C10 C 0.2286(7) 0.2193(4) 0.0749(3) 0.0653(14) Uani 0.676(4) 1 d . U P A 1
H5 H 0.1435 0.2396 0.0330 0.078 Uiso 0.676(4) 1 calc R U P A 1
C11 C 0.3915(18) 0.2698(10) 0.0942(7) 0.059(3) Uani 0.676(4) 1 d . U P A 1
C12 C 0.4542(10) 0.3531(5) 0.0570(4) 0.0721(17) Uani 0.676(4) 1 d . U P A 1
H6 H 0.3870 0.3827 0.0140 0.087 Uiso 0.676(4) 1 calc R U P A 1
C13 C 0.6248(9) 0.3833(5) 0.0925(4) 0.0693(17) Uani 0.676(4) 1 d . U P A 1
H7 H 0.6970 0.4390 0.0800 0.083 Uiso 0.676(4) 1 calc R U P A 1
C14 C 0.636(3) 0.2933(16) 0.1602(14) 0.035(3) Uani 0.324(4) 1 d . U P A 2
C15 C 0.8322(4) 0.3146(2) 0.19998(19) 0.0603(8) Uani 1 1 d . U . . .
C16 C 0.855(5) 0.235(4) 0.252(4) 0.048(3) Uani 0.324(4) 1 d . U P A 2
C17 C 1.0306(17) 0.2269(10) 0.2945(12) 0.057(3) Uani 0.676(4) 1 d . U P A 1
H8 H 1.1419 0.2616 0.2949 0.069 Uiso 0.676(4) 1 calc R U P A 1
C18 C 1.0027(13) 0.1478(8) 0.3364(7) 0.065(3) Uani 0.676(4) 1 d . U P A 1
H9 H 1.0859 0.1195 0.3724 0.078 Uiso 0.676(4) 1 calc R U P A 1
C19 C 0.8245(13) 0.1169(8) 0.3153(6) 0.060(2) Uani 0.676(4) 1 d . U P A 1
N1 N 0.530(2) 0.0173(11) 0.3104(8) 0.041(3) Uani 0.324(4) 1 d . U P A 2
N2 N 0.2890(11) 0.0991(7) 0.1767(5) 0.050(2) Uani 0.676(4) 1 d . U P A 1
N3 N 0.5333(12) 0.2470(6) 0.1541(5) 0.0544(18) Uani 0.676(4) 1 d . U P A 1
N4 N 0.7498(14) 0.1784(8) 0.2606(5) 0.057(2) Uani 0.676(4) 1 d . U P A 1
Si1 Si 0.5130(3) 0.1640(2) 0.23625(16) 0.0607(8) Uani 0.676(4) 1 d . U P A 1
O1 O 0.4817(6) 0.2387(4) 0.3157(3) 0.0672(13) Uani 0.676(4) 1 d . U P A 1
Si2 Si 0.572(4) 0.320(2) 0.4081(19) 0.0559(3) Uani 0.676(4) 1 d . U P A 1
C20 C 0.4314(7) 0.3241(4) 0.4837(3) 0.0692(14) Uani 0.676(4) 1 d . U P A 1
H26 H 0.3198 0.3355 0.4526 0.104 Uiso 0.676(4) 1 calc R U P A 1
H27 H 0.4855 0.3793 0.5332 0.104 Uiso 0.676(4) 1 calc R U P A 1
H28 H 0.4149 0.2598 0.5053 0.104 Uiso 0.676(4) 1 calc R U P A 1
C21 C 0.7875(11) 0.3150(8) 0.4704(5) 0.092(3) Uani 0.676(4) 1 d . U P A 1
H29 H 0.7852 0.2498 0.4904 0.138 Uiso 0.676(4) 1 calc R U P A 1
H30 H 0.8267 0.3697 0.5211 0.138 Uiso 0.676(4) 1 calc R U P A 1
H31 H 0.8663 0.3231 0.4331 0.138 Uiso 0.676(4) 1 calc R U P A 1
C22 C 0.5728(9) 0.4332(4) 0.3517(4) 0.0825(18) Uani 0.676(4) 1 d . U P A 1
H32 H 0.6467 0.4309 0.3119 0.124 Uiso 0.676(4) 1 calc R U P A 1
H33 H 0.6166 0.4951 0.3955 0.124 Uiso 0.676(4) 1 calc R U P A 1
H34 H 0.4556 0.4328 0.3184 0.124 Uiso 0.676(4) 1 calc R U P A 1
C23 C 0.1065(5) -0.1358(3) 0.2667(2) 0.0642(8) Uani 1 1 d . U . . .
C24 C 0.0596(6) -0.1413(3) 0.3447(2) 0.0876(13) Uani 1 1 d . U . . .
C25 C -0.0619(8) -0.2206(4) 0.3537(3) 0.1028(16) Uani 1 1 d . U . . .
C26 C -0.1392(7) -0.2964(4) 0.2862(4) 0.1043(15) Uani 1 1 d . U . . .
C27 C -0.0976(6) -0.2954(3) 0.2086(3) 0.0868(12) Uani 1 1 d . U . . .
C28 C 0.0245(5) -0.2160(3) 0.2003(2) 0.0703(9) Uani 1 1 d . U . . .
F1 F 0.1361(4) -0.0649(2) 0.41287(13) 0.1114(9) Uani 1 1 d . U . . .
F2 F -0.0994(5) -0.2177(3) 0.4316(2) 0.1523(15) Uani 1 1 d . U . . .
F3 F -0.2575(5) -0.3715(2) 0.2952(3) 0.1545(14) Uani 1 1 d . U . . .
F4 F -0.1736(4) -0.37025(18) 0.1415(2) 0.1120(9) Uani 1 1 d . U . . .
F5 F 0.0630(3) -0.21824(15) 0.12286(12) 0.0762(6) Uani 1 1 d . U . . .
C29 C 0.9679(5) 0.3959(3) 0.1898(2) 0.0710(10) Uani 1 1 d . U . . .
C30 C 1.0620(5) 0.4728(3) 0.2586(3) 0.0774(10) Uani 1 1 d . U . . .
C31 C 1.1874(6) 0.5482(3) 0.2504(3) 0.0941(13) Uani 1 1 d . U . . .
C32 C 1.2254(7) 0.5493(4) 0.1727(5) 0.1083(16) Uani 1 1 d . U . . .
C33 C 1.1360(8) 0.4748(4) 0.1024(3) 0.1055(16) Uani 1 1 d . U . . .
C34 C 1.0099(6) 0.4002(3) 0.1116(3) 0.0868(12) Uani 1 1 d . U . . .
F6 F 1.0271(3) 0.47495(16) 0.33637(13) 0.0871(6) Uani 1 1 d . U . . .
F7 F 1.2735(4) 0.62143(19) 0.3185(2) 0.1221(10) Uani 1 1 d . U . . .
F8 F 1.3486(5) 0.6225(3) 0.1631(3) 0.1515(13) Uani 1 1 d . U . . .
F9 F 1.1720(5) 0.4769(3) 0.0245(2) 0.1382(12) Uani 1 1 d . U . . .
F10 F 0.9252(4) 0.3295(2) 0.04076(14) 0.1067(8) Uani 1 1 d . U . . .
C35 C 1.5668(5) 0.8418(3) 0.1299(2) 0.0791(10) Uani 1 1 d . U . . .
H19 H 1.6508 0.8155 0.1041 0.119 Uiso 1 1 calc R U . . .
H20 H 1.4949 0.7864 0.1467 0.119 Uiso 1 1 calc R U . . .
H21 H 1.6270 0.8928 0.1818 0.119 Uiso 1 1 calc R U . . .
C36 C 1.4541(4) 0.8897(3) 0.0633(2) 0.0683(9) Uani 1 1 d . U . . .
H22 H 1.3915 0.8373 0.0118 0.082 Uiso 1 1 calc R U . . .
H23 H 1.3679 0.9147 0.0894 0.082 Uiso 1 1 calc R U . . .
C37 C 1.5535(4) 0.9758(2) 0.0335(2) 0.0612(8) Uani 1 1 d . U . . .
H24 H 1.6409 0.9507 0.0084 0.073 Uiso 1 1 calc R U . . .
H25 H 1.6151 1.0282 0.0851 0.073 Uiso 1 1 calc R U . . .
C38 C 0.3653(11) 0.2148(7) 0.1265(5) 0.034(2) Uani 0.324(4) 1 d . U P A 2
C41 C 0.2488(19) 0.1357(12) 0.1408(9) 0.036(3) Uani 0.324(4) 1 d . U P A 2
C47 C 0.6145(15) -0.0918(8) 0.4029(7) 0.048(2) Uani 0.324(4) 1 d . U P A 2
H10 H 0.6818 -0.1234 0.4442 0.057 Uiso 0.324(4) 1 calc R U P A 2
C46 C 0.8392(10) 0.0452(6) 0.3807(5) 0.0389(19) Uani 0.324(4) 1 d . U P A 2
H11 H 0.9235 0.0239 0.4224 0.047 Uiso 0.324(4) 1 calc R U P A 2
C44 C 0.893(2) 0.1217(12) 0.3413(10) 0.042(3) Uani 0.324(4) 1 d . U P A 2
C39 C 0.5473(18) 0.3414(8) 0.0967(7) 0.040(2) Uani 0.324(4) 1 d . U P A 2
H12 H 0.5950 0.3975 0.0739 0.048 Uiso 0.324(4) 1 calc R U P A 2
N6 N 0.324(2) 0.0867(14) 0.2025(10) 0.037(3) Uani 0.324(4) 1 d . U P A 2
N9 N 0.773(2) 0.1621(12) 0.2847(9) 0.031(3) Uani 0.324(4) 1 d . U P A 2
C42 C 0.074(2) 0.0965(18) 0.1043(16) 0.042(4) Uani 0.324(4) 1 d . U P A 2
H13 H -0.0061 0.1170 0.0598 0.051 Uiso 0.324(4) 1 calc R U P A 2
N5 N 0.522(2) 0.2181(10) 0.1788(7) 0.036(3) Uani 0.324(4) 1 d . U P A 2
C40 C 0.6790(15) 0.3180(9) 0.1519(7) 0.059(3) Uani 0.676(4) 1 d . U P A 1
C45 C 1.066(2) 0.1736(15) 0.3460(13) 0.046(4) Uani 0.324(4) 1 d . U P A 2
H14 H 1.1665 0.1561 0.3788 0.055 Uiso 0.324(4) 1 calc R U P A 2
N8 N 0.5334(9) 0.0483(5) 0.2842(4) 0.0566(17) Uani 0.676(4) 1 d . U P A 1
C49 C 0.4412(17) -0.1212(9) 0.3674(8) 0.047(3) Uani 0.324(4) 1 d . U P A 2
H15 H 0.3695 -0.1774 0.3794 0.057 Uiso 0.324(4) 1 calc R U P A 2
C50 C 0.382(5) -0.052(3) 0.307(3) 0.053(5) Uani 0.324(4) 1 d . U P A 2
C52 C 0.382(4) 0.2931(17) 0.0740(15) 0.039(4) Uani 0.324(4) 1 d . U P A 2
H16 H 0.2919 0.3079 0.0310 0.047 Uiso 0.324(4) 1 calc R U P A 2
C48 C 0.682(2) -0.0014(10) 0.3660(11) 0.037(3) Uani 0.324(4) 1 d . U P A 2
C51 C 1.069(3) 0.2508(19) 0.298(2) 0.037(4) Uani 0.324(4) 1 d . U P A 2
H17 H 1.1628 0.2987 0.2922 0.044 Uiso 0.324(4) 1 calc R U P A 2
C53 C 0.0092(16) 0.0052(13) 0.1423(12) 0.048(3) Uani 0.676(4) 1 d . U P A 1
H18 H -0.0868 -0.0456 0.1414 0.057 Uiso 0.676(4) 1 calc R U P A 1
C55 C 0.199(5) 0.005(3) 0.2102(19) 0.043(2) Uani 0.324(4) 1 d . U P A 2
O2 O 0.5116(11) 0.2137(6) 0.3487(5) 0.0363(16) Uani 0.324(4) 1 d . U P A 2
Si3 Si 0.5392(5) 0.1397(3) 0.2682(3) 0.0377(8) Uani 0.324(4) 1 d . U P A 2
Si4 Si 0.572(8) 0.320(5) 0.408(4) 0.0559(3) Uani 0.324(4) 1 d . U P A 2
C56 C 0.888(2) 0.2510(15) 0.2530(16) 0.048(3) Uani 0.676(4) 1 d . U P A 1
C57 C 0.552(2) 0.2098(12) 0.4774(8) 0.116(5) Uani 0.324(4) 1 d . U P A 2
H35 H 0.4305 0.1771 0.4664 0.175 Uiso 0.324(4) 1 calc R U P A 2
H36 H 0.5989 0.2377 0.5398 0.175 Uiso 0.324(4) 1 calc R U P A 2
H37 H 0.6158 0.1599 0.4605 0.175 Uiso 0.324(4) 1 calc R U P A 2
C59 C 0.802(2) 0.3638(15) 0.4398(11) 0.099(6) Uani 0.324(4) 1 d . U P A 2
H38 H 0.8563 0.3094 0.4211 0.148 Uiso 0.324(4) 1 calc R U P A 2
H39 H 0.8426 0.3836 0.5035 0.148 Uiso 0.324(4) 1 calc R U P A 2
H40 H 0.8330 0.4221 0.4121 0.148 Uiso 0.324(4) 1 calc R U P A 2
C60 C 0.443(2) 0.3968(15) 0.4336(13) 0.156(9) Uani 0.324(4) 1 d . U P A 2
H41 H 0.4410 0.4494 0.3968 0.234 Uiso 0.324(4) 1 calc R U P A 2
H42 H 0.4868 0.4285 0.4953 0.234 Uiso 0.324(4) 1 calc R U P A 2
H43 H 0.3262 0.3571 0.4236 0.234 Uiso 0.324(4) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N8 1.368(9) . ?
C1 C19 1.418(13) . ?
C1 C2 1.423(10) . ?
C2 C3 1.347(13) . ?
C2 H1 0.9500 . ?
C3 C4 1.38(2) . ?
C3 H2 0.9500 . ?
C4 N8 1.394(14) . ?
C4 C5 1.456(15) . ?
C5 C55 1.15(3) . ?
C5 C50 1.29(4) . ?
C5 C23 1.482(5) . ?
C5 C6 1.495(10) . ?
C6 N2 1.39(2) . ?
C6 C53 1.418(18) . ?
C7 C42 1.35(5) . ?
C7 C55 1.43(4) . ?
C7 H3 0.9500 . ?
C8 C53 1.35(2) . ?
C8 C9 1.420(10) . ?
C8 H4 0.9500 . ?
C9 C10 1.373(10) . ?
C9 N2 1.394(8) . ?
C10 C11 1.336(15) . ?
C10 H5 0.9500 . ?
C11 C12 1.420(13) . ?
C11 N3 1.426(14) . ?
C12 C13 1.346(9) . ?
C12 H6 0.9500 . ?
C13 C40 1.426(14) . ?
C13 H7 0.9500 . ?
C14 N5 1.376(18) . ?
C14 C39 1.40(3) . ?
C14 C15 1.54(2) . ?
C15 C40 1.319(13) . ?
C15 C56 1.35(3) . ?
C15 C16 1.45(6) . ?
C15 C29 1.480(5) . ?
C16 N9 1.33(6) . ?
C16 C51 1.70(6) . ?
C17 C56 1.31(3) . ?
C17 C18 1.35(2) . ?
C17 H8 0.9500 . ?
C18 C19 1.394(10) . ?
C18 H9 0.9500 . ?
C19 N4 1.393(9) . ?
N1 C50 1.39(3) . ?
N1 C48 1.43(2) . ?
N1 Si3 1.870(12) . ?
N2 Si1 1.860(8) . ?
N3 C40 1.412(10) . ?
N3 Si1 1.852(7) . ?
N4 C56 1.41(2) . ?
N4 Si1 1.858(11) . ?
Si1 O1 1.628(5) . ?
Si1 N8 1.851(6) . ?
O1 Si2 1.66(3) . ?
Si2 C21 1.83(3) . ?
Si2 C20 1.86(3) . ?
Si2 C22 1.88(3) . ?
C20 H26 0.9800 . ?
C20 H27 0.9800 . ?
C20 H28 0.9800 . ?
C21 H29 0.9800 . ?
C21 H30 0.9800 . ?
C21 H31 0.9800 . ?
C22 H32 0.9800 . ?
C22 H33 0.9800 . ?
C22 H34 0.9800 . ?
C23 C28 1.377(5) . ?
C23 C24 1.396(5) . ?
C24 F1 1.356(5) . ?
C24 C25 1.383(7) . ?
C25 C26 1.345(7) . ?
C25 F2 1.351(5) . ?
C26 F3 1.329(6) . ?
C26 C27 1.363(7) . ?
C27 F4 1.332(5) . ?
C27 C28 1.382(6) . ?
C28 F5 1.347(4) . ?
C29 C34 1.379(5) . ?
C29 C30 1.392(5) . ?
C30 F6 1.339(4) . ?
C30 C31 1.364(6) . ?
C31 F7 1.344(5) . ?
C31 C32 1.351(7) . ?
C32 F8 1.342(6) . ?
C32 C33 1.380(8) . ?
C33 F9 1.350(5) . ?
C33 C34 1.366(7) . ?
C34 F10 1.350(5) . ?
C35 C36 1.524(5) . ?
C35 H19 0.9800 . ?
C35 H20 0.9800 . ?
C35 H21 0.9800 . ?
C36 C37 1.502(5) . ?
C36 H22 0.9900 . ?
C36 H23 0.9900 . ?
C37 C37 1.509(7) 2_875 ?
C37 H24 0.9900 . ?
C37 H25 0.9900 . ?
C38 N5 1.34(2) . ?
C38 C41 1.39(2) . ?
C38 C52 1.443(16) . ?
C41 N6 1.348(16) . ?
C41 C42 1.395(18) . ?
C47 C49 1.366(18) . ?
C47 C48 1.506(15) . ?
C47 H10 0.9500 . ?
C46 C48 1.29(2) . ?
C46 C44 1.34(2) . ?
C46 H11 0.9500 . ?
C44 N9 1.404(17) . ?
C44 C45 1.452(19) . ?
C39 C52 1.34(3) . ?
C39 H12 0.9500 . ?
N6 C55 1.42(5) . ?
N6 Si3 1.794(16) . ?
N9 Si3 1.840(18) . ?
C42 H13 0.9500 . ?
N5 Si3 1.879(8) . ?
C45 C51 1.38(4) . ?
C45 H14 0.9500 . ?
C49 C50 1.48(5) . ?
C49 H15 0.9500 . ?
C52 H16 0.9500 . ?
C51 H17 0.9500 . ?
C53 H18 0.9500 . ?
O2 Si4 1.56(6) . ?
O2 Si3 1.621(9) . ?
Si4 C60 1.69(8) . ?
Si4 C59 1.81(6) . ?
Si4 C57 1.98(7) . ?
C57 H35 0.9800 . ?
C57 H36 0.9800 . ?
C57 H37 0.9800 . ?
C59 H38 0.9800 . ?
C59 H39 0.9800 . ?
C59 H40 0.9800 . ?
C60 H41 0.9800 . ?
C60 H42 0.9800 . ?
C60 H43 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
N8 C1 C19 112.5(8) . . ?
N8 C1 C2 107.2(8) . . ?
C19 C1 C2 140.2(8) . . ?
C3 C2 C1 108.5(8) . . ?
C3 C2 H1 125.7 . . ?
C1 C2 H1 125.7 . . ?
C2 C3 C4 107.9(9) . . ?
C2 C3 H2 126.1 . . ?
C4 C3 H2 126.1 . . ?
C3 C4 N8 109.1(10) . . ?
C3 C4 C5 129.5(11) . . ?
N8 C4 C5 121.3(11) . . ?
C55 C5 C50 130(3) . . ?
C55 C5 C23 122(2) . . ?
C50 C5 C23 108.3(13) . . ?
C4 C5 C23 124.5(7) . . ?
C4 C5 C6 116.1(9) . . ?
C23 C5 C6 119.3(8) . . ?
N2 C6 C53 111.7(10) . . ?
N2 C6 C5 125.0(12) . . ?
C53 C6 C5 123.2(16) . . ?
C42 C7 C55 117(2) . . ?
C42 C7 H3 121.7 . . ?
C55 C7 H3 121.7 . . ?
C53 C8 C9 109.3(10) . . ?
C53 C8 H4 125.4 . . ?
C9 C8 H4 125.4 . . ?
C10 C9 N2 126.8(9) . . ?
C10 C9 C8 123.9(10) . . ?
N2 C9 C8 109.3(9) . . ?
C11 C10 C9 121.5(7) . . ?
C11 C10 H5 119.2 . . ?
C9 C10 H5 119.2 . . ?
C10 C11 C12 126.2(9) . . ?
C10 C11 N3 125.6(11) . . ?
C12 C11 N3 108.2(11) . . ?
C13 C12 C11 108.8(8) . . ?
C13 C12 H6 125.6 . . ?
C11 C12 H6 125.6 . . ?
C12 C13 C40 108.7(8) . . ?
C12 C13 H7 125.6 . . ?
C40 C13 H7 125.6 . . ?
N5 C14 C39 109.2(16) . . ?
N5 C14 C15 124.0(16) . . ?
C39 C14 C15 126.7(13) . . ?
C40 C15 C56 132.9(8) . . ?
C40 C15 C29 112.0(5) . . ?
C56 C15 C29 115.0(6) . . ?
C16 C15 C29 127.2(16) . . ?
C16 C15 C14 103.2(17) . . ?
C29 C15 C14 129.6(7) . . ?
N9 C16 C15 144(4) . . ?
N9 C16 C51 108(4) . . ?
C15 C16 C51 107(3) . . ?
C56 C17 C18 113.2(12) . . ?
C56 C17 H8 123.4 . . ?
C18 C17 H8 123.4 . . ?
C17 C18 C19 104.6(10) . . ?
C17 C18 H9 127.7 . . ?
C19 C18 H9 127.7 . . ?
N4 C19 C18 109.3(10) . . ?
N4 C19 C1 109.7(10) . . ?
C18 C19 C1 140.9(10) . . ?
C50 N1 C48 113(2) . . ?
C50 N1 Si3 126(2) . . ?
C48 N1 Si3 119.1(13) . . ?
C6 N2 C9 104.3(8) . . ?
C6 N2 Si1 130.5(7) . . ?
C9 N2 Si1 123.9(8) . . ?
C40 N3 C11 105.8(10) . . ?
C40 N3 Si1 128.1(8) . . ?
C11 N3 Si1 124.3(8) . . ?
C19 N4 C56 105.2(13) . . ?
C19 N4 Si1 117.2(9) . . ?
C56 N4 Si1 136.1(12) . . ?
O1 Si1 N8 102.1(3) . . ?
O1 Si1 N3 103.0(3) . . ?
N8 Si1 N3 154.1(3) . . ?
O1 Si1 N4 105.0(3) . . ?
N8 Si1 N4 81.2(4) . . ?
N3 Si1 N4 86.4(4) . . ?
O1 Si1 N2 101.4(3) . . ?
N8 Si1 N2 87.4(4) . . ?
N3 Si1 N2 93.6(4) . . ?
N4 Si1 N2 152.9(4) . . ?
Si1 O1 Si2 146.3(12) . . ?
O1 Si2 C21 118(2) . . ?
O1 Si2 C20 113.5(16) . . ?
C21 Si2 C20 108.9(15) . . ?
O1 Si2 C22 93.5(15) . . ?
C21 Si2 C22 111.8(16) . . ?
C20 Si2 C22 109.6(18) . . ?
Si2 C20 H26 109.5 . . ?
Si2 C20 H27 109.5 . . ?
H26 C20 H27 109.5 . . ?
Si2 C20 H28 109.5 . . ?
H26 C20 H28 109.5 . . ?
H27 C20 H28 109.5 . . ?
Si2 C21 H29 109.5 . . ?
Si2 C21 H30 109.5 . . ?
H29 C21 H30 109.5 . . ?
Si2 C21 H31 109.5 . . ?
H29 C21 H31 109.5 . . ?
H30 C21 H31 109.5 . . ?
Si2 C22 H32 109.5 . . ?
Si2 C22 H33 109.5 . . ?
H32 C22 H33 109.5 . . ?
Si2 C22 H34 109.5 . . ?
H32 C22 H34 109.5 . . ?
H33 C22 H34 109.5 . . ?
C28 C23 C24 114.7(4) . . ?
C28 C23 C5 122.8(3) . . ?
C24 C23 C5 122.4(3) . . ?
F1 C24 C25 119.9(4) . . ?
F1 C24 C23 117.8(4) . . ?
C25 C24 C23 122.3(4) . . ?
C26 C25 F2 122.3(5) . . ?
C26 C25 C24 120.3(4) . . ?
F2 C25 C24 117.5(6) . . ?
F3 C26 C25 119.8(5) . . ?
F3 C26 C27 120.3(6) . . ?
C25 C26 C27 120.0(5) . . ?
F4 C27 C26 120.3(5) . . ?
F4 C27 C28 120.3(4) . . ?
C26 C27 C28 119.3(5) . . ?
F5 C28 C23 119.1(3) . . ?
F5 C28 C27 117.5(3) . . ?
C23 C28 C27 123.3(4) . . ?
C34 C29 C30 115.5(4) . . ?
C34 C29 C15 122.2(3) . . ?
C30 C29 C15 122.3(3) . . ?
F6 C30 C31 117.7(4) . . ?
F6 C30 C29 119.2(4) . . ?
C31 C30 C29 123.1(4) . . ?
F7 C31 C32 119.6(5) . . ?
F7 C31 C30 120.9(5) . . ?
C32 C31 C30 119.6(5) . . ?
F8 C32 C31 120.7(6) . . ?
F8 C32 C33 119.6(6) . . ?
C31 C32 C33 119.7(5) . . ?
F9 C33 C34 120.3(5) . . ?
F9 C33 C32 119.7(6) . . ?
C34 C33 C32 120.0(4) . . ?
F10 C34 C33 117.8(4) . . ?
F10 C34 C29 120.0(4) . . ?
C33 C34 C29 122.2(4) . . ?
C36 C35 H19 109.5 . . ?
C36 C35 H20 109.5 . . ?
H19 C35 H20 109.5 . . ?
C36 C35 H21 109.5 . . ?
H19 C35 H21 109.5 . . ?
H20 C35 H21 109.5 . . ?
C37 C36 C35 113.3(3) . . ?
C37 C36 H22 108.9 . . ?
C35 C36 H22 108.9 . . ?
C37 C36 H23 108.9 . . ?
C35 C36 H23 108.9 . . ?
H22 C36 H23 107.7 . . ?
C36 C37 C37 114.9(3) . 2_875 ?
C36 C37 H24 108.6 . . ?
C37 C37 H24 108.6 2_875 . ?
C36 C37 H25 108.6 . . ?
C37 C37 H25 108.6 2_875 . ?
H24 C37 H25 107.5 . . ?
N5 C38 C41 109.0(11) . . ?
N5 C38 C52 107.7(15) . . ?
C41 C38 C52 143.3(17) . . ?
N6 C41 C38 111.8(15) . . ?
N6 C41 C42 114.5(18) . . ?
C38 C41 C42 133.7(17) . . ?
C49 C47 C48 109.0(12) . . ?
C49 C47 H10 125.5 . . ?
C48 C47 H10 125.5 . . ?
C48 C46 C44 124.8(12) . . ?
C48 C46 H11 117.6 . . ?
C44 C46 H11 117.6 . . ?
C46 C44 N9 120.2(15) . . ?
C46 C44 C45 130.0(16) . . ?
N9 C44 C45 109.8(17) . . ?
C52 C39 C14 107.1(12) . . ?
C52 C39 H12 126.4 . . ?
C14 C39 H12 126.4 . . ?
C41 N6 C55 108.1(19) . . ?
C41 N6 Si3 119.8(15) . . ?
C55 N6 Si3 131.4(13) . . ?
C16 N9 C44 110(3) . . ?
C16 N9 Si3 121(3) . . ?
C44 N9 Si3 128.1(11) . . ?
C7 C42 C41 99.9(19) . . ?
C7 C42 H13 130.1 . . ?
C41 C42 H13 130.1 . . ?
C38 N5 C14 107.9(13) . . ?
C38 N5 Si3 118.4(10) . . ?
C14 N5 Si3 133.0(13) . . ?
C15 C40 N3 120.0(10) . . ?
C15 C40 C13 131.7(8) . . ?
N3 C40 C13 108.4(10) . . ?
C51 C45 C44 112.7(18) . . ?
C51 C45 H14 123.6 . . ?
C44 C45 H14 123.6 . . ?
C1 N8 C4 107.2(9) . . ?
C1 N8 Si1 116.9(6) . . ?
C4 N8 Si1 135.0(7) . . ?
C47 C49 C50 109.8(15) . . ?
C47 C49 H15 125.1 . . ?
C50 C49 H15 125.1 . . ?
C5 C50 N1 122(3) . . ?
C5 C50 C49 134(2) . . ?
N1 C50 C49 105(3) . . ?
C39 C52 C38 108.0(18) . . ?
C39 C52 H16 126.0 . . ?
C38 C52 H16 126.0 . . ?
C46 C48 N1 129.5(14) . . ?
C46 C48 C47 127.4(14) . . ?
N1 C48 C47 103.0(13) . . ?
C45 C51 C16 99(2) . . ?
C45 C51 H17 130.4 . . ?
C16 C51 H17 130.4 . . ?
C8 C53 C6 105.4(12) . . ?
C8 C53 H18 127.3 . . ?
C6 C53 H18 127.3 . . ?
C5 C55 N6 121(3) . . ?
C5 C55 C7 138(4) . . ?
N6 C55 C7 101(2) . . ?
Si4 O2 Si3 146(3) . . ?
O2 Si3 N6 103.4(7) . . ?
O2 Si3 N9 104.9(6) . . ?
N6 Si3 N9 151.1(8) . . ?
O2 Si3 N1 101.7(5) . . ?
N6 Si3 N1 86.2(7) . . ?
N9 Si3 N1 93.3(7) . . ?
O2 Si3 N5 103.0(5) . . ?
N6 Si3 N5 78.6(8) . . ?
N9 Si3 N5 89.9(7) . . ?
N1 Si3 N5 153.4(6) . . ?
O2 Si4 C60 126(4) . . ?
O2 Si4 C59 113(4) . . ?
C60 Si4 C59 120(4) . . ?
O2 Si4 C57 68(3) . . ?
C60 Si4 C57 107(4) . . ?
C59 Si4 C57 100(3) . . ?
C17 C56 C15 141.3(14) . . ?
C17 C56 N4 107.4(19) . . ?
C15 C56 N4 110.9(13) . . ?
Si4 C57 H35 109.5 . . ?
Si4 C57 H36 109.5 . . ?
H35 C57 H36 109.5 . . ?
Si4 C57 H37 109.5 . . ?
H35 C57 H37 109.5 . . ?
H36 C57 H37 109.5 . . ?
Si4 C59 H38 109.5 . . ?
Si4 C59 H39 109.5 . . ?
H38 C59 H39 109.5 . . ?
Si4 C59 H40 109.5 . . ?
H38 C59 H40 109.5 . . ?
H39 C59 H40 109.5 . . ?
Si4 C60 H41 109.5 . . ?
Si4 C60 H42 109.5 . . ?
H41 C60 H42 109.5 . . ?
Si4 C60 H43 109.5 . . ?
H41 C60 H43 109.5 . . ?
H42 C60 H43 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
N8 C1 C2 C3 3.3(8) . . . . ?
C19 C1 C2 C3 -177.2(7) . . . . ?
C1 C2 C3 C4 -2.5(10) . . . . ?
C2 C3 C4 N8 0.8(12) . . . . ?
C2 C3 C4 C5 177.7(12) . . . . ?
C3 C4 C5 C23 0.8(17) . . . . ?
N8 C4 C5 C23 177.5(8) . . . . ?
C3 C4 C5 C6 -174.6(12) . . . . ?
N8 C4 C5 C6 2.0(16) . . . . ?
C4 C5 C6 N2 -2.6(16) . . . . ?
C23 C5 C6 N2 -178.4(9) . . . . ?
C4 C5 C6 C53 175.3(13) . . . . ?
C23 C5 C6 C53 -0.4(16) . . . . ?
C53 C8 C9 C10 178.0(10) . . . . ?
C53 C8 C9 N2 -0.6(14) . . . . ?
N2 C9 C10 C11 0.0(11) . . . . ?
C8 C9 C10 C11 -178.3(10) . . . . ?
C9 C10 C11 C12 179.3(9) . . . . ?
C9 C10 C11 N3 1.4(15) . . . . ?
C10 C11 C12 C13 -179.7(9) . . . . ?
N3 C11 C12 C13 -1.5(11) . . . . ?
C11 C12 C13 C40 2.0(9) . . . . ?
N5 C14 C15 C16 4(3) . . . . ?
C39 C14 C15 C16 -172(3) . . . . ?
N5 C14 C15 C29 -176.1(12) . . . . ?
C39 C14 C15 C29 8(2) . . . . ?
C29 C15 C16 N9 168(5) . . . . ?
C14 C15 C16 N9 -12(7) . . . . ?
C29 C15 C16 C51 -1(4) . . . . ?
C14 C15 C16 C51 179(2) . . . . ?
C56 C17 C18 C19 3.0(17) . . . . ?
C17 C18 C19 N4 0.2(11) . . . . ?
C17 C18 C19 C1 177.3(10) . . . . ?
N8 C1 C19 N4 0.8(8) . . . . ?
C2 C1 C19 N4 -178.6(8) . . . . ?
N8 C1 C19 C18 -176.3(10) . . . . ?
C2 C1 C19 C18 4.3(16) . . . . ?
C53 C6 N2 C9 1.2(14) . . . . ?
C5 C6 N2 C9 179.4(10) . . . . ?
C53 C6 N2 Si1 168.3(10) . . . . ?
C5 C6 N2 Si1 -13.5(19) . . . . ?
C10 C9 N2 C6 -178.9(8) . . . . ?
C8 C9 N2 C6 -0.4(11) . . . . ?
C10 C9 N2 Si1 12.9(11) . . . . ?
C8 C9 N2 Si1 -168.6(8) . . . . ?
C10 C11 N3 C40 178.6(11) . . . . ?
C12 C11 N3 C40 0.4(11) . . . . ?
C10 C11 N3 Si1 -15.7(15) . . . . ?
C12 C11 N3 Si1 166.0(6) . . . . ?
C18 C19 N4 C56 -3.0(13) . . . . ?
C1 C19 N4 C56 179.0(10) . . . . ?
C18 C19 N4 Si1 -171.5(6) . . . . ?
C1 C19 N4 Si1 10.5(9) . . . . ?
C40 N3 Si1 O1 81.0(9) . . . . ?
C11 N3 Si1 O1 -81.5(8) . . . . ?
C40 N3 Si1 N8 -84.8(11) . . . . ?
C11 N3 Si1 N8 112.8(10) . . . . ?
C40 N3 Si1 N4 -23.6(9) . . . . ?
C11 N3 Si1 N4 174.0(8) . . . . ?
C40 N3 Si1 N2 -176.4(9) . . . . ?
C11 N3 Si1 N2 21.2(8) . . . . ?
C19 N4 Si1 O1 86.7(8) . . . . ?
C56 N4 Si1 O1 -77.1(15) . . . . ?
C19 N4 Si1 N8 -13.5(7) . . . . ?
C56 N4 Si1 N8 -177.4(15) . . . . ?
C19 N4 Si1 N3 -170.7(7) . . . . ?
C56 N4 Si1 N3 25.4(15) . . . . ?
C19 N4 Si1 N2 -79.8(11) . . . . ?
C56 N4 Si1 N2 116.3(16) . . . . ?
C6 N2 Si1 O1 -80.7(11) . . . . ?
C9 N2 Si1 O1 84.3(7) . . . . ?
C6 N2 Si1 N8 21.2(11) . . . . ?
C9 N2 Si1 N8 -173.9(7) . . . . ?
C6 N2 Si1 N3 175.2(10) . . . . ?
C9 N2 Si1 N3 -19.8(7) . . . . ?
C6 N2 Si1 N4 86.1(14) . . . . ?
C9 N2 Si1 N4 -109.0(10) . . . . ?
N8 Si1 O1 Si2 83(2) . . . . ?
N3 Si1 O1 Si2 -90(2) . . . . ?
N4 Si1 O1 Si2 -1(2) . . . . ?
N2 Si1 O1 Si2 173(2) . . . . ?
Si1 O1 Si2 C21 -22(4) . . . . ?
Si1 O1 Si2 C20 -151.6(10) . . . . ?
Si1 O1 Si2 C22 95(2) . . . . ?
C55 C5 C23 C28 67(2) . . . . ?
C50 C5 C23 C28 -114.1(18) . . . . ?
C4 C5 C23 C28 -109.9(8) . . . . ?
C6 C5 C23 C28 65.4(8) . . . . ?
C55 C5 C23 C24 -114(2) . . . . ?
C50 C5 C23 C24 65.5(18) . . . . ?
C4 C5 C23 C24 69.6(8) . . . . ?
C6 C5 C23 C24 -115.0(7) . . . . ?
C28 C23 C24 F1 179.8(3) . . . . ?
C5 C23 C24 F1 0.2(5) . . . . ?
C28 C23 C24 C25 -1.0(5) . . . . ?
C5 C23 C24 C25 179.4(3) . . . . ?
F1 C24 C25 C26 179.6(4) . . . . ?
C23 C24 C25 C26 0.4(6) . . . . ?
F1 C24 C25 F2 0.2(6) . . . . ?
C23 C24 C25 F2 -179.0(3) . . . . ?
F2 C25 C26 F3 0.3(7) . . . . ?
C24 C25 C26 F3 -179.0(4) . . . . ?
F2 C25 C26 C27 179.5(4) . . . . ?
C24 C25 C26 C27 0.1(7) . . . . ?
F3 C26 C27 F4 -0.9(6) . . . . ?
C25 C26 C27 F4 180.0(4) . . . . ?
F3 C26 C27 C28 179.3(4) . . . . ?
C25 C26 C27 C28 0.2(7) . . . . ?
C24 C23 C28 F5 -179.1(3) . . . . ?
C5 C23 C28 F5 0.5(5) . . . . ?
C24 C23 C28 C27 1.3(5) . . . . ?
C5 C23 C28 C27 -179.1(3) . . . . ?
F4 C27 C28 F5 -0.4(5) . . . . ?
C26 C27 C28 F5 179.4(3) . . . . ?
F4 C27 C28 C23 179.3(3) . . . . ?
C26 C27 C28 C23 -0.9(6) . . . . ?
C40 C15 C29 C34 -65.0(7) . . . . ?
C56 C15 C29 C34 113.0(11) . . . . ?
C16 C15 C29 C34 112(2) . . . . ?
C14 C15 C29 C34 -68.2(11) . . . . ?
C40 C15 C29 C30 115.2(6) . . . . ?
C56 C15 C29 C30 -66.8(11) . . . . ?
C16 C15 C29 C30 -68(2) . . . . ?
C14 C15 C29 C30 112.0(11) . . . . ?
C34 C29 C30 F6 178.9(3) . . . . ?
C15 C29 C30 F6 -1.3(5) . . . . ?
C34 C29 C30 C31 0.2(6) . . . . ?
C15 C29 C30 C31 180.0(4) . . . . ?
F6 C30 C31 F7 0.5(6) . . . . ?
C29 C30 C31 F7 179.2(4) . . . . ?
F6 C30 C31 C32 -179.3(4) . . . . ?
C29 C30 C31 C32 -0.7(7) . . . . ?
F7 C31 C32 F8 0.3(7) . . . . ?
C30 C31 C32 F8 -179.8(4) . . . . ?
F7 C31 C32 C33 -179.3(4) . . . . ?
C30 C31 C32 C33 0.6(7) . . . . ?
F8 C32 C33 F9 -0.7(7) . . . . ?
C31 C32 C33 F9 178.9(4) . . . . ?
F8 C32 C33 C34 -179.7(4) . . . . ?
C31 C32 C33 C34 -0.1(7) . . . . ?
F9 C33 C34 F10 0.5(6) . . . . ?
C32 C33 C34 F10 179.5(4) . . . . ?
F9 C33 C34 C29 -179.4(4) . . . . ?
C32 C33 C34 C29 -0.3(7) . . . . ?
C30 C29 C34 F10 -179.6(3) . . . . ?
C15 C29 C34 F10 0.6(6) . . . . ?
C30 C29 C34 C33 0.3(6) . . . . ?
C15 C29 C34 C33 -179.5(4) . . . . ?
C35 C36 C37 C37 179.2(3) . . . 2_875 ?
N5 C38 C41 N6 0.7(16) . . . . ?
C52 C38 C41 N6 178(3) . . . . ?
N5 C38 C41 C42 -178.2(18) . . . . ?
C52 C38 C41 C42 -1(3) . . . . ?
C48 C46 C44 N9 5(2) . . . . ?
C48 C46 C44 C45 -173.6(16) . . . . ?
N5 C14 C39 C52 -3(2) . . . . ?
C15 C14 C39 C52 173.7(19) . . . . ?
C38 C41 N6 C55 -177.4(17) . . . . ?
C42 C41 N6 C55 2(3) . . . . ?
C38 C41 N6 Si3 11(2) . . . . ?
C42 C41 N6 Si3 -169.8(14) . . . . ?
C15 C16 N9 C44 -172(5) . . . . ?
C51 C16 N9 C44 -3(4) . . . . ?
C15 C16 N9 Si3 -1(7) . . . . ?
C51 C16 N9 Si3 167.6(19) . . . . ?
C46 C44 N9 C16 -178(2) . . . . ?
C45 C44 N9 C16 1(3) . . . . ?
C46 C44 N9 Si3 12(2) . . . . ?
C45 C44 N9 Si3 -169.2(13) . . . . ?
C55 C7 C42 C41 -4(4) . . . . ?
N6 C41 C42 C7 1(3) . . . . ?
C38 C41 C42 C7 180(2) . . . . ?
C41 C38 N5 C14 176.9(13) . . . . ?
C52 C38 N5 C14 -1(2) . . . . ?
C41 C38 N5 Si3 -11.5(12) . . . . ?
C52 C38 N5 Si3 170.3(15) . . . . ?
C39 C14 N5 C38 2.5(19) . . . . ?
C15 C14 N5 C38 -174.0(13) . . . . ?
C39 C14 N5 Si3 -167.4(10) . . . . ?
C15 C14 N5 Si3 16(3) . . . . ?
C56 C15 C40 N3 3.3(19) . . . . ?
C29 C15 C40 N3 -179.2(7) . . . . ?
C56 C15 C40 C13 -176.0(14) . . . . ?
C29 C15 C40 C13 1.5(13) . . . . ?
C11 N3 C40 C15 -178.6(9) . . . . ?
Si1 N3 C40 C15 16.4(14) . . . . ?
C11 N3 C40 C13 0.8(11) . . . . ?
Si1 N3 C40 C13 -164.1(5) . . . . ?
C12 C13 C40 C15 177.6(10) . . . . ?
C12 C13 C40 N3 -1.8(10) . . . . ?
C46 C44 C45 C51 -178.2(18) . . . . ?
N9 C44 C45 C51 3(2) . . . . ?
C19 C1 N8 C4 177.6(8) . . . . ?
C2 C1 N8 C4 -2.8(9) . . . . ?
C19 C1 N8 Si1 -11.8(7) . . . . ?
C2 C1 N8 Si1 167.8(5) . . . . ?
C3 C4 N8 C1 1.3(12) . . . . ?
C5 C4 N8 C1 -175.9(9) . . . . ?
C3 C4 N8 Si1 -166.8(6) . . . . ?
C5 C4 N8 Si1 16.0(18) . . . . ?
O1 Si1 N8 C1 -89.6(5) . . . . ?
N3 Si1 N8 C1 76.2(9) . . . . ?
N4 Si1 N8 C1 13.9(5) . . . . ?
N2 Si1 N8 C1 169.2(5) . . . . ?
O1 Si1 N8 C4 77.6(11) . . . . ?
N3 Si1 N8 C4 -116.6(13) . . . . ?
N4 Si1 N8 C4 -178.8(11) . . . . ?
N2 Si1 N8 C4 -23.5(11) . . . . ?
C48 C47 C49 C50 -1(2) . . . . ?
C55 C5 C50 N1 -3(5) . . . . ?
C23 C5 C50 N1 178(2) . . . . ?
C55 C5 C50 C49 -178(3) . . . . ?
C23 C5 C50 C49 2(4) . . . . ?
C48 N1 C50 C5 -176(2) . . . . ?
Si3 N1 C50 C5 17(4) . . . . ?
C48 N1 C50 C49 1(3) . . . . ?
Si3 N1 C50 C49 -166.4(12) . . . . ?
C47 C49 C50 C5 177(3) . . . . ?
C47 C49 C50 N1 0(3) . . . . ?
C14 C39 C52 C38 2(2) . . . . ?
N5 C38 C52 C39 0(2) . . . . ?
C41 C38 C52 C39 -177.5(12) . . . . ?
C44 C46 C48 N1 -3(2) . . . . ?
C44 C46 C48 C47 175.4(13) . . . . ?
C50 N1 C48 C46 177(2) . . . . ?
Si3 N1 C48 C46 -15(2) . . . . ?
C50 N1 C48 C47 -2(2) . . . . ?
Si3 N1 C48 C47 166.6(9) . . . . ?
C49 C47 C48 C46 -176.8(14) . . . . ?
C49 C47 C48 N1 2.0(15) . . . . ?
C44 C45 C51 C16 -4(3) . . . . ?
N9 C16 C51 C45 4(4) . . . . ?
C15 C16 C51 C45 178(3) . . . . ?
C9 C8 C53 C6 1.3(16) . . . . ?
N2 C6 C53 C8 -1.6(17) . . . . ?
C5 C6 C53 C8 -179.8(12) . . . . ?
C50 C5 C55 N6 0(5) . . . . ?
C23 C5 C55 N6 179.3(18) . . . . ?
C50 C5 C55 C7 -180(4) . . . . ?
C23 C5 C55 C7 0(6) . . . . ?
C41 N6 C55 C5 177(3) . . . . ?
Si3 N6 C55 C5 -13(5) . . . . ?
C41 N6 C55 C7 -3(3) . . . . ?
Si3 N6 C55 C7 167(2) . . . . ?
C42 C7 C55 C5 -176(4) . . . . ?
C42 C7 C55 N6 5(4) . . . . ?
Si4 O2 Si3 N6 -135(4) . . . . ?
Si4 O2 Si3 N9 40(4) . . . . ?
Si4 O2 Si3 N1 136(4) . . . . ?
Si4 O2 Si3 N5 -54(4) . . . . ?
C41 N6 Si3 O2 87.3(16) . . . . ?
C55 N6 Si3 O2 -82(3) . . . . ?
C41 N6 Si3 N9 -82(2) . . . . ?
C55 N6 Si3 N9 109(3) . . . . ?
C41 N6 Si3 N1 -171.6(17) . . . . ?
C55 N6 Si3 N1 19(3) . . . . ?
C41 N6 Si3 N5 -13.6(15) . . . . ?
C55 N6 Si3 N5 177(3) . . . . ?
C16 N9 Si3 O2 -88(3) . . . . ?
C44 N9 Si3 O2 80.8(15) . . . . ?
C16 N9 Si3 N6 81(3) . . . . ?
C44 N9 Si3 N6 -110.1(17) . . . . ?
C16 N9 Si3 N1 169(3) . . . . ?
C44 N9 Si3 N1 -22.2(16) . . . . ?
C16 N9 Si3 N5 15(3) . . . . ?
C44 N9 Si3 N5 -175.7(15) . . . . ?
C50 N1 Si3 O2 83(2) . . . . ?
C48 N1 Si3 O2 -84.2(12) . . . . ?
C50 N1 Si3 N6 -20(2) . . . . ?
C48 N1 Si3 N6 172.9(13) . . . . ?
C50 N1 Si3 N9 -171(2) . . . . ?
C48 N1 Si3 N9 21.8(13) . . . . ?
C50 N1 Si3 N5 -75(3) . . . . ?
C48 N1 Si3 N5 118.0(18) . . . . ?
C38 N5 Si3 O2 -87.3(10) . . . . ?
C14 N5 Si3 O2 81.7(18) . . . . ?
C38 N5 Si3 N6 14.0(11) . . . . ?
C14 N5 Si3 N6 -177.0(19) . . . . ?
C38 N5 Si3 N9 167.3(11) . . . . ?
C14 N5 Si3 N9 -23.6(18) . . . . ?
C38 N5 Si3 N1 70.3(19) . . . . ?
C14 N5 Si3 N1 -121(2) . . . . ?
Si3 O2 Si4 C60 133(4) . . . . ?
Si3 O2 Si4 C59 -41(7) . . . . ?
Si3 O2 Si4 C57 -132(3) . . . . ?
C18 C17 C56 C15 -176(2) . . . . ?
C18 C17 C56 N4 -5(2) . . . . ?
C40 C15 C56 C17 167(2) . . . . ?
C29 C15 C56 C17 -10(3) . . . . ?
C40 C15 C56 N4 -4(2) . . . . ?
C29 C15 C56 N4 178.2(9) . . . . ?
C19 N4 C56 C17 4.7(18) . . . . ?
Si1 N4 C56 C17 169.9(11) . . . . ?
C19 N4 C56 C15 179.0(12) . . . . ?
Si1 N4 C56 C15 -16(2) . . . . ?

_refine_diff_density_max         0.409
_refine_diff_density_min         -0.459
_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_201120yamagata2
_database_code_depnum_ccdc_archive 'CCDC 2165329'
loop_
_audit_author_name
_audit_author_address
'kyo yamagata'
;Kyoto University
Japan
;
_audit_update_record             
;
2022-04-08 deposited with the CCDC.	2022-06-28 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         '2(C37 H14 F10 N4 O Si), 2(C H2 Cl2)'
_chemical_formula_sum            'C76 H32 Cl4 F20 N8 O2 Si2'
_chemical_formula_weight         1667.07

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   10.9143(4)
_cell_length_b                   18.2103(7)
_cell_length_c                   18.9895(7)
_cell_angle_alpha                64.960(4)
_cell_angle_beta                 80.933(3)
_cell_angle_gamma                82.291(3)
_cell_volume                     3367.2(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    9947
_cell_measurement_theta_min      2.5800
_cell_measurement_theta_max      72.1270

_exptl_crystal_description       Prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_F_000             1672
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.157
_exptl_crystal_size_mid          0.028
_exptl_crystal_size_min          0.01
_exptl_absorpt_coefficient_mu    2.952
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.56595
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            42378
_diffrn_reflns_av_unetI/netI     0.0828
_diffrn_reflns_av_R_equivalents  0.0793
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.585
_diffrn_reflns_theta_max         65.998
_diffrn_reflns_theta_full        65.998
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_point_group_measured_fraction_full 0.963
_reflns_number_total             11307
_reflns_number_gt                7247
_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)+(0.1785P)²+9.7914P] 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         11307
_refine_ls_number_parameters     1042
_refine_ls_number_restraints     186
_refine_ls_R_factor_all          0.1359
_refine_ls_R_factor_gt           0.0949
_refine_ls_wR_factor_ref         0.3091
_refine_ls_wR_factor_gt          0.2707
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.003
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si01 Si 0.22188(17) 1.00372(10) 0.16206(10) 0.0341(4) Uani 1 1 d . . . . .
Si02 Si 0.34192(17) -0.09876(9) 0.83305(10) 0.0344(4) Uani 1 1 d . . . . .
F003 F 0.1054(3) -0.5539(2) 1.0010(2) 0.0429(9) Uani 1 1 d . . . . .
F004 F 0.1491(4) -0.4009(2) 0.8994(2) 0.0448(9) Uani 1 1 d . . . . .
F005 F 0.1792(4) 1.2770(2) -0.1275(2) 0.0472(10) Uani 1 1 d . . . . .
F006 F 0.3391(4) -0.3665(2) 1.0893(2) 0.0474(10) Uani 1 1 d . . . . .
F007 F 0.3826(4) 1.2910(2) 0.0679(2) 0.0470(9) Uani 1 1 d . . . . .
Cl1 Cl 0.4768(4) 0.6895(2) 0.5167(2) 0.1344(14) Uani 1 1 d . . . . .
F009 F 0.0252(4) 0.7121(2) 0.2206(3) 0.0543(11) Uani 1 1 d . . . . .
F00A F 0.5218(4) 0.1716(2) 0.7637(2) 0.0528(10) Uani 1 1 d . . . . .
Cl2 Cl 0.0985(5) -0.3850(2) 0.7307(2) 0.1429(16) Uani 1 1 d . . . . .
F00C F 0.4481(4) 1.4411(2) -0.0313(3) 0.0552(11) Uani 1 1 d . . . . .
F00D F 0.1745(4) -0.6130(2) 1.1474(2) 0.0552(11) Uani 1 1 d . . . . .
O1 O 0.4434(4) -0.1021(2) 0.8885(2) 0.0343(9) Uani 1 1 d . . . . .
H36 H 0.5077 -0.0810 0.8604 0.051 Uiso 1 1 calc R U . . .
Cl3 Cl 0.5590(5) 0.5640(3) 0.6573(2) 0.1451(15) Uani 1 1 d . . . . .
O2 O 0.3549(4) 1.0041(2) 0.1932(2) 0.0355(10) Uani 1 1 d . . . . .
H37 H 0.3510 0.9763 0.2417 0.053 Uiso 1 1 calc R U . . .
F00H F 0.5324(4) 0.3326(2) 0.7185(3) 0.0620(12) Uani 1 1 d . . . . .
F00I F 0.2500(5) 1.4247(2) -0.2264(2) 0.0667(14) Uani 1 1 d . . . . .
F00J F 0.2926(5) -0.5191(2) 1.1902(2) 0.0621(12) Uani 1 1 d . . . . .
F00K F 0.2947(5) 0.7075(2) 0.3953(3) 0.0656(13) Uani 1 1 d . . . . .
F00L F 0.3707(5) 0.4402(2) 0.6234(3) 0.0637(12) Uani 1 1 d . . . . .
F00M F 0.1757(5) 0.2252(3) 0.6248(3) 0.0669(13) Uani 1 1 d . . . . .
F00N F 0.3862(5) 1.5068(2) -0.1792(3) 0.0712(14) Uani 1 1 d . . . . .
F00O F 0.1873(5) 0.3849(2) 0.5795(3) 0.0718(14) Uani 1 1 d . . . . .
Cl4 Cl 0.1053(5) -0.3537(4) 0.5693(2) 0.173(2) Uani 1 1 d . . . . .
F00Q F 0.0053(6) 0.5525(3) 0.3016(3) 0.0829(16) Uani 1 1 d . . . . .
N00R N 0.2157(5) -0.1512(3) 0.9069(3) 0.0339(12) Uani 1 1 d . . . . .
N00S N 0.2691(5) 1.0527(3) 0.0558(3) 0.0329(11) Uani 1 1 d . . . . .
N00T N 0.2415(5) 0.9135(3) 0.1397(3) 0.0356(12) Uani 1 1 d . . . . .
N00U N 0.2304(5) -0.0104(3) 0.8265(3) 0.0379(12) Uani 1 1 d . . . . .
N00V N 0.4144(5) -0.0336(3) 0.7343(3) 0.0359(12) Uani 1 1 d . . . . .
N00W N 0.3830(5) -0.1922(3) 0.8164(3) 0.0366(12) Uani 1 1 d . . . . .
N00X N 0.1430(5) 1.1022(3) 0.1557(3) 0.0351(12) Uani 1 1 d . . . . .
N00Y N 0.1224(5) 0.9460(3) 0.2515(3) 0.0398(13) Uani 1 1 d . . . . .
F00Z F 0.2778(8) 0.5458(3) 0.4734(3) 0.110(2) Uani 1 1 d . . . . .
C010 C 0.2473(6) -0.3781(3) 0.9903(4) 0.0365(14) Uani 1 1 d . . . . .
F011 F 0.1271(8) 0.4683(3) 0.4296(4) 0.124(3) Uani 1 1 d . . . . .
C012 C 0.3210(6) 1.0024(3) 0.0197(4) 0.0351(14) Uani 1 1 d . . . . .
C013 C 0.2947(6) 1.1306(3) 0.0066(4) 0.0346(14) Uani 1 1 d . . . . .
C014 C 0.1198(6) -0.1054(4) 0.9300(4) 0.0372(14) Uani 1 1 d . . . . .
C015 C 0.1708(6) 1.1791(4) 0.0967(4) 0.0364(14) Uani 1 1 d . . . . .
C016 C 0.2808(6) 1.2777(3) -0.0260(4) 0.0346(14) Uani 1 1 d . . . . .
C017 C 0.1958(6) -0.2317(4) 0.9541(4) 0.0365(14) Uani 1 1 d . . . . .
C018 C 0.0892(6) -0.2349(4) 1.0090(4) 0.0381(15) Uani 1 1 d . . . . .
H1 H 0.0563 -0.2828 1.0491 0.046 Uiso 1 1 calc R U . . .
C019 C 0.3025(6) 0.9205(3) 0.0682(4) 0.0358(14) Uani 1 1 d . . . . .
C01A C 0.2492(6) 1.1940(3) 0.0274(4) 0.0349(14) Uani 1 1 d . . . . .
C01B C 0.2675(6) -0.2925(4) 0.9368(4) 0.0364(14) Uani 1 1 d . . . . .
C01C C 0.1882(6) -0.4285(4) 0.9702(4) 0.0370(14) Uani 1 1 d . . . . .
C01D C 0.0606(6) 1.1181(4) 0.2128(4) 0.0394(15) Uani 1 1 d . . . . .
C01E C 0.2288(6) 0.8315(3) 0.1843(4) 0.0361(14) Uani 1 1 d . . . . .
C01F C 0.2485(7) 1.3153(4) -0.1017(4) 0.0410(16) Uani 1 1 d . . . . .
C01G C 0.4732(6) -0.2031(4) 0.7607(4) 0.0381(15) Uani 1 1 d . . . . .
C01H C 0.1632(6) -0.5068(4) 1.0223(4) 0.0390(15) Uani 1 1 d . . . . .
C01I C 0.3792(6) 1.0498(4) -0.0557(4) 0.0374(15) Uani 1 1 d . . . . .
H2 H 0.4201 1.0310 -0.0936 0.045 Uiso 1 1 calc R U . . .
C01J C 0.3642(6) 1.1287(4) -0.0623(4) 0.0368(14) Uani 1 1 d . . . . .
H3 H 0.3955 1.1745 -0.1061 0.044 Uiso 1 1 calc R U . . .
C01K C 0.1722(7) 0.8048(4) 0.2596(4) 0.0406(15) Uani 1 1 d . . . . .
C01L C 0.1299(6) -0.0230(4) 0.8832(4) 0.0380(15) Uani 1 1 d . . . . .
C01M C 0.2800(6) -0.4115(4) 1.0658(4) 0.0385(15) Uani 1 1 d . . . . .
C01N C 0.3294(6) 0.8437(4) 0.0662(4) 0.0382(15) Uani 1 1 d . . . . .
H4 H 0.3703 0.8325 0.0234 0.046 Uiso 1 1 calc R U . . .
C01O C 0.1588(7) 0.7159(4) 0.3063(4) 0.0415(16) Uani 1 1 d . . . . .
C01P C 0.4167(6) 0.0519(4) 0.7025(4) 0.0397(15) Uani 1 1 d . . . . .
C01Q C 0.5081(6) -0.0594(4) 0.6884(4) 0.0382(15) Uani 1 1 d . . . . .
C01R C 0.3517(6) -0.2719(4) 0.8697(4) 0.0386(15) Uani 1 1 d . . . . .
C01S C 0.0475(6) 0.9759(4) 0.3019(4) 0.0400(15) Uani 1 1 d . . . . .
C01T C 0.0424(6) -0.1563(4) 0.9937(4) 0.0400(15) Uani 1 1 d . . . . .
H5 H -0.0286 -0.1396 1.0209 0.048 Uiso 1 1 calc R U . . .
C01U C 0.3478(6) 1.3222(4) -0.0035(4) 0.0412(16) Uani 1 1 d . . . . .
C01V C 0.5356(6) -0.1404(4) 0.6997(4) 0.0389(15) Uani 1 1 d . . . . .
C01W C 0.2855(6) 0.7883(4) 0.1377(4) 0.0390(15) Uani 1 1 d . . . . .
H6 H 0.2913 0.7311 0.1540 0.047 Uiso 1 1 calc R U . . .
C01X C 0.1212(6) 0.8601(4) 0.2913(4) 0.0393(15) Uani 1 1 d . . . . .
C01Y C 0.4936(7) -0.2868(4) 0.7762(4) 0.0439(16) Uani 1 1 d . . . . .
H7 H 0.5482 -0.3093 0.7450 0.053 Uiso 1 1 calc R U . . .
C01Z C 0.2379(7) 0.0728(4) 0.7870(4) 0.0423(16) Uani 1 1 d . . . . .
C020 C 0.3842(7) 1.3995(4) -0.0546(4) 0.0455(17) Uani 1 1 d . . . . .
C021 C 0.5115(7) 0.0769(4) 0.6398(4) 0.0443(16) Uani 1 1 d . . . . .
H8 H 0.5324 0.1313 0.6090 0.053 Uiso 1 1 calc R U . . .
C022 C 0.1034(6) 1.2407(4) 0.1183(4) 0.0403(15) Uani 1 1 d . . . . .
H9 H 0.1054 1.2977 0.0888 0.048 Uiso 1 1 calc R U . . .
C023 C 0.1982(7) -0.5373(4) 1.0968(4) 0.0447(17) Uani 1 1 d . . . . .
C024 C 0.0157(6) 1.0581(4) 0.2838(4) 0.0410(15) Uani 1 1 d . . . . .
C025 C 0.0362(7) 1.2030(4) 0.1883(4) 0.0418(16) Uani 1 1 d . . . . .
H10 H -0.0182 1.2292 0.2163 0.050 Uiso 1 1 calc R U . . .
C026 C 0.6350(7) -0.1613(4) 0.6454(4) 0.0432(16) Uani 1 1 d . . . . .
C027 C 0.3487(7) 0.1923(4) 0.6952(4) 0.0442(16) Uani 1 1 d . . . . .
C028 C 0.3342(6) 0.1034(4) 0.7289(4) 0.0403(15) Uani 1 1 d . . . . .
C029 C 0.0708(7) 0.0529(4) 0.8781(4) 0.0428(16) Uani 1 1 d . . . . .
H11 H -0.0018 0.0614 0.9095 0.051 Uiso 1 1 calc R U . . .
C02A C 0.0525(7) 0.8400(4) 0.3656(4) 0.0475(17) Uani 1 1 d . . . . .
H12 H 0.0414 0.7866 0.4046 0.057 Uiso 1 1 calc R U . . .
C02B C 0.3508(8) 1.4331(4) -0.1301(5) 0.052(2) Uani 1 1 d . . . . .
C02C C 0.4223(7) -0.3292(4) 0.8427(4) 0.0447(17) Uani 1 1 d . . . . .
H13 H 0.4194 -0.3866 0.8672 0.054 Uiso 1 1 calc R U . . .
C02D C 0.5686(7) 0.0094(4) 0.6307(4) 0.0423(16) Uani 1 1 d . . . . .
H14 H 0.6362 0.0084 0.5928 0.051 Uiso 1 1 calc R U . . .
C02E C 0.2577(7) -0.4896(4) 1.1186(4) 0.0453(17) Uani 1 1 d . . . . .
C02F C 0.3628(7) 0.3603(4) 0.6473(4) 0.0478(18) Uani 1 1 d . . . . .
C02G C 0.4387(7) 0.2228(4) 0.7166(4) 0.0455(17) Uani 1 1 d . . . . .
C02I C 0.4454(7) 0.3059(4) 0.6941(4) 0.0493(18) Uani 1 1 d . . . . .
C02J C 0.1380(7) 0.1114(4) 0.8199(4) 0.0461(17) Uani 1 1 d . . . . .
H15 H 0.1210 0.1684 0.8039 0.055 Uiso 1 1 calc R U . . .
C02K C 0.0047(7) 0.9106(4) 0.3717(4) 0.0473(17) Uani 1 1 d . . . . .
H16 H -0.0476 0.9151 0.4149 0.057 Uiso 1 1 calc R U . . .
C02L C 0.2726(8) 0.3331(4) 0.6252(4) 0.0517(19) Uani 1 1 d . . . . .
C02M C 0.2832(8) 1.3918(4) -0.1541(4) 0.0481(18) Uani 1 1 d . . . . .
C02N C 0.6244(7) -0.1323(4) 0.5668(4) 0.0462(17) Uani 1 1 d . . . . .
H17 H 0.5547 -0.0965 0.5459 0.055 Uiso 1 1 calc R U . . .
C02O C 0.2656(7) 0.2491(4) 0.6486(5) 0.0503(18) Uani 1 1 d . . . . .
C02P C 0.0867(7) 0.6731(4) 0.2848(5) 0.0502(18) Uani 1 1 d . . . . .
C02Q C 0.7145(7) -0.1547(4) 0.5173(4) 0.0513(18) Uani 1 1 d . . . . .
H18 H 0.7073 -0.1336 0.4629 0.062 Uiso 1 1 calc R U . . .
C02S C 0.2206(9) 0.6705(5) 0.3711(5) 0.060(2) Uani 1 1 d . . . . .
C02T C 0.0753(9) 0.5911(5) 0.3248(5) 0.063(2) Uani 1 1 d . . . . .
C02U C 0.8140(9) -0.2077(5) 0.5481(5) 0.069(3) Uani 1 1 d . . . . .
H19 H 0.8752 -0.2242 0.5151 0.083 Uiso 1 1 calc R U . . .
C02V C 0.1369(11) 0.5491(5) 0.3899(5) 0.083(3) Uani 1 1 d . . . . .
C02W C 0.2099(11) 0.5883(5) 0.4130(5) 0.079(3) Uani 1 1 d . . . . .
C02X C 0.7365(8) -0.2138(6) 0.6751(5) 0.068(2) Uani 1 1 d . . . . .
H20 H 0.7456 -0.2342 0.7292 0.082 Uiso 1 1 calc R U . . .
C02Y C 0.8245(10) -0.2363(7) 0.6257(5) 0.099(4) Uani 1 1 d . . . . .
H21 H 0.8938 -0.2725 0.6464 0.119 Uiso 1 1 calc R U . . .
C02Z C 0.1841(13) -0.3794(8) 0.6467(7) 0.113(5) Uani 1 1 d . . . . .
H32 H 0.2464 -0.3393 0.6326 0.136 Uiso 1 1 calc R U . . .
H33 H 0.2301 -0.4329 0.6566 0.136 Uiso 1 1 calc R U . . .
C035 C 0.5840(15) 0.6511(8) 0.5817(8) 0.121(5) Uani 1 1 d . . . . .
H34 H 0.6655 0.6443 0.5529 0.145 Uiso 1 1 calc R U . . .
H35 H 0.5913 0.6921 0.6019 0.145 Uiso 1 1 calc R U . . .
C38 C -0.0695(8) 1.0794(6) 0.3410(5) 0.038(5) Uani 0.484(9) 1 d G U P A 1
C39 C -0.0251(7) 1.1239(6) 0.3745(6) 0.044(3) Uani 0.484(9) 1 d G U P A 1
H22 H 0.0585 1.1384 0.3607 0.053 Uiso 0.484(9) 1 calc R U P A 1
C40 C -0.1031(9) 1.1471(6) 0.4280(6) 0.049(4) Uani 0.484(9) 1 d G U P A 1
H23 H -0.0728 1.1775 0.4509 0.059 Uiso 0.484(9) 1 calc R U P A 1
C41 C -0.2254(9) 1.1258(7) 0.4482(6) 0.054(6) Uani 0.484(9) 1 d G U P A 1
H24 H -0.2787 1.1416 0.4848 0.065 Uiso 0.484(9) 1 calc R U P A 1
C42 C -0.2698(7) 1.0813(6) 0.4147(6) 0.053(4) Uani 0.484(9) 1 d G U P A 1
H25 H -0.3534 1.0667 0.4285 0.063 Uiso 0.484(9) 1 calc R U P A 1
C43 C -0.1918(9) 1.0581(6) 0.3612(6) 0.047(3) Uani 0.484(9) 1 d G U P A 1
H26 H -0.2221 1.0276 0.3383 0.056 Uiso 0.484(9) 1 calc R U P A 1
C48 C -0.0675(8) 1.0846(6) 0.3443(5) 0.044(5) Uani 0.516(9) 1 d G U P A 2
C44 C -0.1782(9) 1.1311(6) 0.3226(4) 0.048(3) Uani 0.516(9) 1 d G U P A 2
H27 H -0.1992 1.1477 0.2711 0.058 Uiso 0.516(9) 1 calc R U P A 2
C45 C -0.2581(7) 1.1532(6) 0.3762(6) 0.056(4) Uani 0.516(9) 1 d G U P A 2
H28 H -0.3338 1.1849 0.3613 0.068 Uiso 0.516(9) 1 calc R U P A 2
C49 C -0.2274(9) 1.1289(7) 0.4515(5) 0.056(6) Uani 0.516(9) 1 d G U P A 2
H29 H -0.2820 1.1440 0.4882 0.067 Uiso 0.516(9) 1 calc R U P A 2
C46 C -0.1167(9) 1.0825(6) 0.4733(4) 0.053(4) Uani 0.516(9) 1 d G . P A 2
H30 H -0.0957 1.0659 0.5248 0.064 Uiso 0.516(9) 1 calc R U P A 2
C47 C -0.0368(8) 1.0603(6) 0.4197(5) 0.054(4) Uani 0.516(9) 1 d G . P A 2
H31 H 0.0389 1.0286 0.4346 0.064 Uiso 0.516(9) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si01 O2 1.653(5) . ?
Si01 N00Y 1.839(6) . ?
Si01 N00T 1.841(5) . ?
Si01 N00S 1.845(5) . ?
Si01 N00X 1.846(5) . ?
Si02 O1 1.623(5) . ?
Si02 N00R 1.840(5) . ?
Si02 N00W 1.844(5) . ?
Si02 N00U 1.854(5) . ?
Si02 N00V 1.858(5) . ?
F003 C01H 1.346(7) . ?
F004 C01C 1.340(7) . ?
F005 C01F 1.357(8) . ?
F006 C01M 1.351(7) . ?
F007 C01U 1.326(8) . ?
Cl1 C035 1.699(14) . ?
F009 C02P 1.355(9) . ?
F00A C02G 1.347(8) . ?
Cl2 C02Z 1.687(12) . ?
F00C C020 1.335(8) . ?
F00D C023 1.337(7) . ?
O1 H36 0.8400 . ?
Cl3 C035 1.648(13) . ?
O2 H37 0.8400 . ?
F00H C02I 1.345(8) . ?
F00I C02M 1.334(8) . ?
F00J C02E 1.330(8) . ?
F00K C02S 1.358(9) . ?
F00L C02F 1.339(7) . ?
F00M C02O 1.334(8) . ?
F00N C02B 1.337(8) . ?
F00O C02L 1.354(8) . ?
Cl4 C02Z 1.682(13) . ?
F00Q C02T 1.337(9) . ?
N00R C017 1.383(8) . ?
N00R C014 1.385(7) . ?
N00S C013 1.366(7) . ?
N00S C012 1.379(7) . ?
N00T C019 1.376(8) . ?
N00T C01E 1.384(7) . ?
N00U C01L 1.378(8) . ?
N00U C01Z 1.386(8) . ?
N00V C01Q 1.400(8) . ?
N00V C01P 1.415(8) . ?
N00W C01G 1.387(8) . ?
N00W C01R 1.425(8) . ?
N00X C01D 1.399(8) . ?
N00X C015 1.410(8) . ?
N00Y C01S 1.397(8) . ?
N00Y C01X 1.422(8) . ?
F00Z C02W 1.352(10) . ?
C010 C01M 1.386(9) . ?
C010 C01C 1.392(9) . ?
C010 C01B 1.480(8) . ?
F011 C02V 1.349(9) . ?
C012 C019 1.404(8) . ?
C012 C01I 1.419(9) . ?
C013 C01A 1.381(8) . ?
C013 C01J 1.417(9) . ?
C014 C01L 1.392(9) . ?
C014 C01T 1.405(9) . ?
C015 C01A 1.393(9) . ?
C015 C022 1.428(8) . ?
C016 C01U 1.387(9) . ?
C016 C01F 1.386(9) . ?
C016 C01A 1.481(8) . ?
C017 C01B 1.392(8) . ?
C017 C018 1.425(9) . ?
C018 C01T 1.377(8) . ?
C018 H1 0.9500 . ?
C019 C01N 1.405(8) . ?
C01B C01R 1.389(9) . ?
C01C C01H 1.382(9) . ?
C01D C024 1.392(9) . ?
C01D C025 1.414(9) . ?
C01E C01K 1.370(9) . ?
C01E C01W 1.438(9) . ?
C01F C02M 1.388(9) . ?
C01G C01V 1.396(9) . ?
C01G C01Y 1.418(8) . ?
C01H C023 1.381(10) . ?
C01I C01J 1.377(8) . ?
C01I H2 0.9500 . ?
C01J H3 0.9500 . ?
C01K C01X 1.393(9) . ?
C01K C01O 1.495(9) . ?
C01L C029 1.415(8) . ?
C01M C02E 1.377(9) . ?
C01N C01W 1.362(9) . ?
C01N H4 0.9500 . ?
C01O C02S 1.380(10) . ?
C01O C02P 1.388(10) . ?
C01P C021 1.406(10) . ?
C01P C028 1.405(9) . ?
C01Q C01V 1.395(9) . ?
C01Q C02D 1.427(9) . ?
C01R C02C 1.433(8) . ?
C01S C024 1.394(9) . ?
C01S C02K 1.418(9) . ?
C01T H5 0.9500 . ?
C01U C020 1.398(9) . ?
C01V C026 1.501(9) . ?
C01W H6 0.9500 . ?
C01X C02A 1.411(9) . ?
C01Y C02C 1.350(9) . ?
C01Y H7 0.9500 . ?
C01Z C028 1.379(10) . ?
C01Z C02J 1.423(9) . ?
C020 C02B 1.388(11) . ?
C021 C02D 1.367(9) . ?
C021 H8 0.9500 . ?
C022 C025 1.354(9) . ?
C022 H9 0.9500 . ?
C023 C02E 1.374(10) . ?
C024 C38 1.463(9) . ?
C024 C48 1.551(9) . ?
C025 H10 0.9500 . ?
C026 C02N 1.376(10) . ?
C026 C02X 1.384(10) . ?
C027 C02O 1.378(10) . ?
C027 C02G 1.379(10) . ?
C027 C028 1.488(9) . ?
C029 C02J 1.361(10) . ?
C029 H11 0.9500 . ?
C02A C02K 1.365(9) . ?
C02A H12 0.9500 . ?
C02B C02M 1.365(11) . ?
C02C H13 0.9500 . ?
C02D H14 0.9500 . ?
C02F C02L 1.351(10) . ?
C02F C02I 1.361(10) . ?
C02G C02I 1.396(9) . ?
C02J H15 0.9500 . ?
C02K H16 0.9500 . ?
C02L C02O 1.411(9) . ?
C02N C02Q 1.393(10) . ?
C02N H17 0.9500 . ?
C02P C02T 1.372(10) . ?
C02Q C02U 1.376(12) . ?
C02Q H18 0.9500 . ?
C02S C02W 1.376(11) . ?
C02T C02V 1.373(12) . ?
C02U C02Y 1.358(13) . ?
C02U H19 0.9500 . ?
C02V C02W 1.366(13) . ?
C02X C02Y 1.381(11) . ?
C02X H20 0.9500 . ?
C02Y H21 0.9500 . ?
C02Z H32 0.9900 . ?
C02Z H33 0.9900 . ?
C035 H34 0.9900 . ?
C035 H35 0.9900 . ?
C38 C39 1.3900 . ?
C38 C43 1.3900 . ?
C39 C40 1.3900 . ?
C39 H22 0.9500 . ?
C40 C41 1.3900 . ?
C40 H23 0.9500 . ?
C41 C42 1.3900 . ?
C41 H24 0.9500 . ?
C42 C43 1.3900 . ?
C42 H25 0.9500 . ?
C43 H26 0.9500 . ?
C48 C44 1.3900 . ?
C48 C47 1.3900 . ?
C44 C45 1.3900 . ?
C44 H27 0.9500 . ?
C45 C49 1.3900 . ?
C45 H28 0.9500 . ?
C49 C46 1.3900 . ?
C49 H29 0.9500 . ?
C46 C47 1.3900 . ?
C46 H30 0.9500 . ?
C47 H31 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Si01 N00Y 104.4(2) . . ?
O2 Si01 N00T 104.5(2) . . ?
N00Y Si01 N00T 88.0(2) . . ?
O2 Si01 N00S 98.7(2) . . ?
N00Y Si01 N00S 156.2(3) . . ?
N00T Si01 N00S 80.6(2) . . ?
O2 Si01 N00X 101.7(2) . . ?
N00Y Si01 N00X 92.7(2) . . ?
N00T Si01 N00X 152.7(3) . . ?
N00S Si01 N00X 88.2(2) . . ?
O1 Si02 N00R 101.0(2) . . ?
O1 Si02 N00W 103.9(2) . . ?
N00R Si02 N00W 88.2(2) . . ?
O1 Si02 N00U 106.1(2) . . ?
N00R Si02 N00U 80.1(2) . . ?
N00W Si02 N00U 149.4(3) . . ?
O1 Si02 N00V 101.9(2) . . ?
N00R Si02 N00V 156.2(3) . . ?
N00W Si02 N00V 92.7(2) . . ?
N00U Si02 N00V 87.3(2) . . ?
Si02 O1 H36 109.5 . . ?
Si01 O2 H37 109.5 . . ?
C017 N00R C014 106.4(5) . . ?
C017 N00R Si02 134.4(4) . . ?
C014 N00R Si02 118.9(4) . . ?
C013 N00S C012 108.3(5) . . ?
C013 N00S Si01 132.4(4) . . ?
C012 N00S Si01 116.8(4) . . ?
C019 N00T C01E 106.6(5) . . ?
C019 N00T Si01 118.2(4) . . ?
C01E N00T Si01 134.0(4) . . ?
C01L N00U C01Z 107.2(5) . . ?
C01L N00U Si02 117.9(4) . . ?
C01Z N00U Si02 133.1(5) . . ?
C01Q N00V C01P 105.3(5) . . ?
C01Q N00V Si02 125.8(4) . . ?
C01P N00V Si02 126.0(4) . . ?
C01G N00W C01R 105.3(5) . . ?
C01G N00W Si02 127.0(4) . . ?
C01R N00W Si02 125.9(4) . . ?
C01D N00X C015 105.4(5) . . ?
C01D N00X Si01 128.0(4) . . ?
C015 N00X Si01 125.7(4) . . ?
C01S N00Y C01X 104.8(5) . . ?
C01S N00Y Si01 127.3(4) . . ?
C01X N00Y Si01 127.1(4) . . ?
C01M C010 C01C 115.8(6) . . ?
C01M C010 C01B 121.4(6) . . ?
C01C C010 C01B 122.8(6) . . ?
N00S C012 C019 111.6(5) . . ?
N00S C012 C01I 109.2(5) . . ?
C019 C012 C01I 139.2(5) . . ?
N00S C013 C01A 120.2(6) . . ?
N00S C013 C01J 107.7(5) . . ?
C01A C013 C01J 132.1(6) . . ?
N00R C014 C01L 110.2(6) . . ?
N00R C014 C01T 110.3(5) . . ?
C01L C014 C01T 139.5(6) . . ?
C01A C015 N00X 126.4(5) . . ?
C01A C015 C022 124.6(6) . . ?
N00X C015 C022 109.0(5) . . ?
C01U C016 C01F 116.2(6) . . ?
C01U C016 C01A 121.5(6) . . ?
C01F C016 C01A 122.3(6) . . ?
N00R C017 C01B 119.3(6) . . ?
N00R C017 C018 108.8(5) . . ?
C01B C017 C018 131.5(6) . . ?
C01T C018 C017 107.7(6) . . ?
C01T C018 H1 126.1 . . ?
C017 C018 H1 126.1 . . ?
N00T C019 C012 110.1(5) . . ?
N00T C019 C01N 110.7(5) . . ?
C012 C019 C01N 139.1(6) . . ?
C013 C01A C015 119.8(6) . . ?
C013 C01A C016 119.2(6) . . ?
C015 C01A C016 120.9(5) . . ?
C01R C01B C017 120.0(6) . . ?
C01R C01B C010 122.0(5) . . ?
C017 C01B C010 118.0(5) . . ?
F004 C01C C01H 117.4(6) . . ?
F004 C01C C010 120.3(6) . . ?
C01H C01C C010 122.3(6) . . ?
C024 C01D N00X 123.9(5) . . ?
C024 C01D C025 126.6(6) . . ?
N00X C01D C025 109.5(6) . . ?
C01K C01E N00T 120.6(5) . . ?
C01K C01E C01W 131.6(6) . . ?
N00T C01E C01W 107.8(5) . . ?
F005 C01F C016 119.9(5) . . ?
F005 C01F C02M 116.9(6) . . ?
C016 C01F C02M 123.2(6) . . ?
N00W C01G C01V 124.5(5) . . ?
N00W C01G C01Y 109.9(6) . . ?
C01V C01G C01Y 125.6(6) . . ?
F003 C01H C01C 120.7(6) . . ?
F003 C01H C023 119.5(6) . . ?
C01C C01H C023 119.7(6) . . ?
C01J C01I C012 105.7(5) . . ?
C01J C01I H2 127.1 . . ?
C012 C01I H2 127.1 . . ?
C01I C01J C013 109.1(6) . . ?
C01I C01J H3 125.5 . . ?
C013 C01J H3 125.5 . . ?
C01E C01K C01X 120.5(6) . . ?
C01E C01K C01O 119.4(6) . . ?
C01X C01K C01O 120.0(6) . . ?
N00U C01L C014 111.5(5) . . ?
N00U C01L C029 109.5(6) . . ?
C014 C01L C029 138.9(6) . . ?
F006 C01M C02E 117.6(6) . . ?
F006 C01M C010 119.1(6) . . ?
C02E C01M C010 123.3(6) . . ?
C01W C01N C019 106.6(6) . . ?
C01W C01N H4 126.7 . . ?
C019 C01N H4 126.7 . . ?
C02S C01O C02P 115.7(6) . . ?
C02S C01O C01K 122.6(6) . . ?
C02P C01O C01K 121.6(6) . . ?
C021 C01P C028 125.8(6) . . ?
C021 C01P N00V 109.6(5) . . ?
C028 C01P N00V 124.6(6) . . ?
C01V C01Q N00V 123.8(6) . . ?
C01V C01Q C02D 126.9(6) . . ?
N00V C01Q C02D 109.3(5) . . ?
C01B C01R N00W 126.8(5) . . ?
C01B C01R C02C 124.7(6) . . ?
N00W C01R C02C 108.5(5) . . ?
C024 C01S N00Y 124.3(6) . . ?
C024 C01S C02K 125.5(6) . . ?
N00Y C01S C02K 110.1(6) . . ?
C018 C01T C014 106.8(6) . . ?
C018 C01T H5 126.6 . . ?
C014 C01T H5 126.6 . . ?
F007 C01U C016 120.3(6) . . ?
F007 C01U C020 117.5(6) . . ?
C016 C01U C020 122.2(7) . . ?
C01Q C01V C01G 121.6(6) . . ?
C01Q C01V C026 119.6(6) . . ?
C01G C01V C026 118.9(6) . . ?
C01N C01W C01E 108.2(5) . . ?
C01N C01W H6 125.9 . . ?
C01E C01W H6 125.9 . . ?
C01K C01X C02A 125.4(6) . . ?
C01K C01X N00Y 125.3(6) . . ?
C02A C01X N00Y 109.2(5) . . ?
C02C C01Y C01G 108.5(6) . . ?
C02C C01Y H7 125.8 . . ?
C01G C01Y H7 125.8 . . ?
C028 C01Z N00U 120.0(6) . . ?
C028 C01Z C02J 132.0(6) . . ?
N00U C01Z C02J 107.9(6) . . ?
F00C C020 C02B 120.3(6) . . ?
F00C C020 C01U 120.9(7) . . ?
C02B C020 C01U 118.8(6) . . ?
C02D C021 C01P 108.2(6) . . ?
C02D C021 H8 125.9 . . ?
C01P C021 H8 125.9 . . ?
C025 C022 C015 107.5(6) . . ?
C025 C022 H9 126.2 . . ?
C015 C022 H9 126.2 . . ?
F00D C023 C02E 120.3(7) . . ?
F00D C023 C01H 120.0(6) . . ?
C02E C023 C01H 119.7(6) . . ?
C01D C024 C01S 121.4(6) . . ?
C01D C024 C38 120.9(7) . . ?
C01S C024 C38 117.7(7) . . ?
C01D C024 C48 118.5(6) . . ?
C01S C024 C48 120.1(7) . . ?
C022 C025 C01D 108.5(6) . . ?
C022 C025 H10 125.7 . . ?
C01D C025 H10 125.7 . . ?
C02N C026 C02X 119.0(7) . . ?
C02N C026 C01V 121.1(6) . . ?
C02X C026 C01V 119.8(6) . . ?
C02O C027 C02G 116.0(6) . . ?
C02O C027 C028 122.6(7) . . ?
C02G C027 C028 121.0(6) . . ?
C01Z C028 C01P 120.8(6) . . ?
C01Z C028 C027 118.4(6) . . ?
C01P C028 C027 120.8(6) . . ?
C02J C029 C01L 106.9(6) . . ?
C02J C029 H11 126.5 . . ?
C01L C029 H11 126.5 . . ?
C02K C02A C01X 108.2(6) . . ?
C02K C02A H12 125.9 . . ?
C01X C02A H12 125.9 . . ?
F00N C02B C02M 120.4(7) . . ?
F00N C02B C020 118.8(7) . . ?
C02M C02B C020 120.8(6) . . ?
C01Y C02C C01R 107.7(6) . . ?
C01Y C02C H13 126.2 . . ?
C01R C02C H13 126.2 . . ?
C021 C02D C01Q 107.6(6) . . ?
C021 C02D H14 126.2 . . ?
C01Q C02D H14 126.2 . . ?
F00J C02E C023 119.8(6) . . ?
F00J C02E C01M 120.9(6) . . ?
C023 C02E C01M 119.3(6) . . ?
F00L C02F C02L 120.2(7) . . ?
F00L C02F C02I 120.2(7) . . ?
C02L C02F C02I 119.6(6) . . ?
F00A C02G C027 120.0(6) . . ?
F00A C02G C02I 117.3(6) . . ?
C027 C02G C02I 122.7(7) . . ?
F00H C02I C02F 119.7(6) . . ?
F00H C02I C02G 120.5(7) . . ?
C02F C02I C02G 119.7(7) . . ?
C029 C02J C01Z 108.5(6) . . ?
C029 C02J H15 125.8 . . ?
C01Z C02J H15 125.8 . . ?
C02A C02K C01S 107.5(6) . . ?
C02A C02K H16 126.3 . . ?
C01S C02K H16 126.3 . . ?
C02F C02L F00O 121.7(6) . . ?
C02F C02L C02O 120.5(7) . . ?
F00O C02L C02O 117.8(7) . . ?
F00I C02M C02B 120.6(6) . . ?
F00I C02M C01F 120.5(7) . . ?
C02B C02M C01F 118.9(7) . . ?
C026 C02N C02Q 120.8(7) . . ?
C026 C02N H17 119.6 . . ?
C02Q C02N H17 119.6 . . ?
F00M C02O C027 120.2(6) . . ?
F00M C02O C02L 118.3(7) . . ?
C027 C02O C02L 121.5(7) . . ?
F009 C02P C02T 116.8(7) . . ?
F009 C02P C01O 120.0(6) . . ?
C02T C02P C01O 123.2(7) . . ?
C02U C02Q C02N 119.3(7) . . ?
C02U C02Q H18 120.3 . . ?
C02N C02Q H18 120.3 . . ?
F00K C02S C02W 118.1(7) . . ?
F00K C02S C01O 119.4(6) . . ?
C02W C02S C01O 122.4(7) . . ?
F00Q C02T C02V 120.4(7) . . ?
F00Q C02T C02P 120.9(8) . . ?
C02V C02T C02P 118.7(8) . . ?
C02Y C02U C02Q 119.8(7) . . ?
C02Y C02U H19 120.1 . . ?
C02Q C02U H19 120.1 . . ?
F011 C02V C02W 120.3(8) . . ?
F011 C02V C02T 119.4(8) . . ?
C02W C02V C02T 120.3(7) . . ?
F00Z C02W C02V 120.1(7) . . ?
F00Z C02W C02S 120.1(8) . . ?
C02V C02W C02S 119.7(8) . . ?
C02Y C02X C026 119.7(8) . . ?
C02Y C02X H20 120.2 . . ?
C026 C02X H20 120.2 . . ?
C02U C02Y C02X 121.3(8) . . ?
C02U C02Y H21 119.3 . . ?
C02X C02Y H21 119.3 . . ?
Cl4 C02Z Cl2 116.3(8) . . ?
Cl4 C02Z H32 108.2 . . ?
Cl2 C02Z H32 108.2 . . ?
Cl4 C02Z H33 108.2 . . ?
Cl2 C02Z H33 108.2 . . ?
H32 C02Z H33 107.4 . . ?
Cl3 C035 Cl1 117.6(8) . . ?
Cl3 C035 H34 107.9 . . ?
Cl1 C035 H34 107.9 . . ?
Cl3 C035 H35 107.9 . . ?
Cl1 C035 H35 107.9 . . ?
H34 C035 H35 107.2 . . ?
C39 C38 C43 120.0 . . ?
C39 C38 C024 117.7(7) . . ?
C43 C38 C024 122.3(7) . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H22 120.0 . . ?
C38 C39 H22 120.0 . . ?
C39 C40 C41 120.0 . . ?
C39 C40 H23 120.0 . . ?
C41 C40 H23 120.0 . . ?
C40 C41 C42 120.0 . . ?
C40 C41 H24 120.0 . . ?
C42 C41 H24 120.0 . . ?
C41 C42 C43 120.0 . . ?
C41 C42 H25 120.0 . . ?
C43 C42 H25 120.0 . . ?
C42 C43 C38 120.0 . . ?
C42 C43 H26 120.0 . . ?
C38 C43 H26 120.0 . . ?
C44 C48 C47 120.0 . . ?
C44 C48 C024 118.1(6) . . ?
C47 C48 C024 121.8(6) . . ?
C45 C44 C48 120.0 . . ?
C45 C44 H27 120.0 . . ?
C48 C44 H27 120.0 . . ?
C44 C45 C49 120.0 . . ?
C44 C45 H28 120.0 . . ?
C49 C45 H28 120.0 . . ?
C46 C49 C45 120.0 . . ?
C46 C49 H29 120.0 . . ?
C45 C49 H29 120.0 . . ?
C47 C46 C49 120.0 . . ?
C47 C46 H30 120.0 . . ?
C49 C46 H30 120.0 . . ?
C46 C47 C48 120.0 . . ?
C46 C47 H31 120.0 . . ?
C48 C47 H31 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Si02 N00R C017 -78.2(6) . . . . ?
N00W Si02 N00R C017 25.6(6) . . . . ?
N00U Si02 N00R C017 177.2(6) . . . . ?
N00V Si02 N00R C017 118.1(7) . . . . ?
O1 Si02 N00R C014 94.3(5) . . . . ?
N00W Si02 N00R C014 -161.9(5) . . . . ?
N00U Si02 N00R C014 -10.3(5) . . . . ?
N00V Si02 N00R C014 -69.4(7) . . . . ?
O2 Si01 N00S C013 -71.1(6) . . . . ?
N00Y Si01 N00S C013 123.1(7) . . . . ?
N00T Si01 N00S C013 -174.5(6) . . . . ?
N00X Si01 N00S C013 30.4(6) . . . . ?
O2 Si01 N00S C012 88.5(5) . . . . ?
N00Y Si01 N00S C012 -77.2(8) . . . . ?
N00T Si01 N00S C012 -14.9(5) . . . . ?
N00X Si01 N00S C012 -169.9(5) . . . . ?
O2 Si01 N00T C019 -82.9(5) . . . . ?
N00Y Si01 N00T C019 172.8(5) . . . . ?
N00S Si01 N00T C019 13.7(5) . . . . ?
N00X Si01 N00T C019 80.8(7) . . . . ?
O2 Si01 N00T C01E 82.6(6) . . . . ?
N00Y Si01 N00T C01E -21.8(6) . . . . ?
N00S Si01 N00T C01E 179.2(7) . . . . ?
N00X Si01 N00T C01E -113.8(7) . . . . ?
O1 Si02 N00U C01L -87.8(5) . . . . ?
N00R Si02 N00U C01L 10.9(5) . . . . ?
N00W Si02 N00U C01L 79.9(7) . . . . ?
N00V Si02 N00U C01L 170.6(5) . . . . ?
O1 Si02 N00U C01Z 74.0(6) . . . . ?
N00R Si02 N00U C01Z 172.7(6) . . . . ?
N00W Si02 N00U C01Z -118.3(7) . . . . ?
N00V Si02 N00U C01Z -27.5(6) . . . . ?
O1 Si02 N00V C01Q 81.3(5) . . . . ?
N00R Si02 N00V C01Q -115.0(6) . . . . ?
N00W Si02 N00V C01Q -23.5(5) . . . . ?
N00U Si02 N00V C01Q -172.8(5) . . . . ?
O1 Si02 N00V C01P -76.8(6) . . . . ?
N00R Si02 N00V C01P 86.9(8) . . . . ?
N00W Si02 N00V C01P 178.4(6) . . . . ?
N00U Si02 N00V C01P 29.1(6) . . . . ?
O1 Si02 N00W C01G -83.5(6) . . . . ?
N00R Si02 N00W C01G 175.7(6) . . . . ?
N00U Si02 N00W C01G 108.7(7) . . . . ?
N00V Si02 N00W C01G 19.5(6) . . . . ?
O1 Si02 N00W C01R 79.3(6) . . . . ?
N00R Si02 N00W C01R -21.5(6) . . . . ?
N00U Si02 N00W C01R -88.5(7) . . . . ?
N00V Si02 N00W C01R -177.7(6) . . . . ?
O2 Si01 N00X C01D -92.5(6) . . . . ?
N00Y Si01 N00X C01D 12.8(6) . . . . ?
N00T Si01 N00X C01D 103.7(7) . . . . ?
N00S Si01 N00X C01D 169.0(6) . . . . ?
O2 Si01 N00X C015 75.7(5) . . . . ?
N00Y Si01 N00X C015 -179.0(5) . . . . ?
N00T Si01 N00X C015 -88.1(7) . . . . ?
N00S Si01 N00X C015 -22.8(5) . . . . ?
O2 Si01 N00Y C01S 86.2(6) . . . . ?
N00T Si01 N00Y C01S -169.3(6) . . . . ?
N00S Si01 N00Y C01S -108.3(7) . . . . ?
N00X Si01 N00Y C01S -16.6(6) . . . . ?
O2 Si01 N00Y C01X -82.2(6) . . . . ?
N00T Si01 N00Y C01X 22.2(6) . . . . ?
N00S Si01 N00Y C01X 83.3(8) . . . . ?
N00X Si01 N00Y C01X 175.0(6) . . . . ?
C013 N00S C012 C019 177.7(6) . . . . ?
Si01 N00S C012 C019 13.4(7) . . . . ?
C013 N00S C012 C01I -1.3(7) . . . . ?
Si01 N00S C012 C01I -165.6(4) . . . . ?
C012 N00S C013 C01A 177.6(6) . . . . ?
Si01 N00S C013 C01A -21.4(10) . . . . ?
C012 N00S C013 C01J 0.2(7) . . . . ?
Si01 N00S C013 C01J 161.2(5) . . . . ?
C017 N00R C014 C01L -177.7(5) . . . . ?
Si02 N00R C014 C01L 7.9(7) . . . . ?
C017 N00R C014 C01T 2.4(7) . . . . ?
Si02 N00R C014 C01T -172.0(4) . . . . ?
C01D N00X C015 C01A -179.7(6) . . . . ?
Si01 N00X C015 C01A 9.9(9) . . . . ?
C01D N00X C015 C022 -0.9(7) . . . . ?
Si01 N00X C015 C022 -171.2(5) . . . . ?
C014 N00R C017 C01B 170.7(6) . . . . ?
Si02 N00R C017 C01B -16.1(10) . . . . ?
C014 N00R C017 C018 -2.4(7) . . . . ?
Si02 N00R C017 C018 170.7(5) . . . . ?
N00R C017 C018 C01T 1.6(8) . . . . ?
C01B C017 C018 C01T -170.4(7) . . . . ?
C01E N00T C019 C012 -179.0(6) . . . . ?
Si01 N00T C019 C012 -9.8(7) . . . . ?
C01E N00T C019 C01N 0.0(7) . . . . ?
Si01 N00T C019 C01N 169.2(5) . . . . ?
N00S C012 C019 N00T -2.3(8) . . . . ?
C01I C012 C019 N00T 176.4(8) . . . . ?
N00S C012 C019 C01N 179.1(8) . . . . ?
C01I C012 C019 C01N -2.2(16) . . . . ?
N00S C013 C01A C015 -3.9(10) . . . . ?
C01J C013 C01A C015 172.8(7) . . . . ?
N00S C013 C01A C016 178.5(6) . . . . ?
C01J C013 C01A C016 -4.9(11) . . . . ?
N00X C015 C01A C013 8.7(10) . . . . ?
C022 C015 C01A C013 -170.0(6) . . . . ?
N00X C015 C01A C016 -173.6(6) . . . . ?
C022 C015 C01A C016 7.7(10) . . . . ?
C01U C016 C01A C013 -117.9(7) . . . . ?
C01F C016 C01A C013 60.3(9) . . . . ?
C01U C016 C01A C015 64.4(9) . . . . ?
C01F C016 C01A C015 -117.4(7) . . . . ?
N00R C017 C01B C01R -4.5(10) . . . . ?
C018 C017 C01B C01R 166.7(7) . . . . ?
N00R C017 C01B C010 177.7(6) . . . . ?
C018 C017 C01B C010 -11.0(11) . . . . ?
C01M C010 C01B C01R 113.8(7) . . . . ?
C01C C010 C01B C01R -70.1(9) . . . . ?
C01M C010 C01B C017 -68.4(9) . . . . ?
C01C C010 C01B C017 107.7(7) . . . . ?
C01M C010 C01C F004 177.7(5) . . . . ?
C01B C010 C01C F004 1.4(9) . . . . ?
C01M C010 C01C C01H 0.2(9) . . . . ?
C01B C010 C01C C01H -176.1(6) . . . . ?
C015 N00X C01D C024 -176.0(7) . . . . ?
Si01 N00X C01D C024 -5.9(10) . . . . ?
C015 N00X C01D C025 1.4(7) . . . . ?
Si01 N00X C01D C025 171.5(5) . . . . ?
C019 N00T C01E C01K 179.3(6) . . . . ?
Si01 N00T C01E C01K 12.6(10) . . . . ?
C019 N00T C01E C01W 0.5(7) . . . . ?
Si01 N00T C01E C01W -166.1(5) . . . . ?
C01U C016 C01F F005 -177.8(5) . . . . ?
C01A C016 C01F F005 3.9(9) . . . . ?
C01U C016 C01F C02M 2.0(10) . . . . ?
C01A C016 C01F C02M -176.3(6) . . . . ?
C01R N00W C01G C01V -176.0(7) . . . . ?
Si02 N00W C01G C01V -10.4(10) . . . . ?
C01R N00W C01G C01Y 2.9(7) . . . . ?
Si02 N00W C01G C01Y 168.6(5) . . . . ?
F004 C01C C01H F003 2.2(9) . . . . ?
C010 C01C C01H F003 179.7(5) . . . . ?
F004 C01C C01H C023 -178.0(6) . . . . ?
C010 C01C C01H C023 -0.5(10) . . . . ?
N00S C012 C01I C01J 1.9(8) . . . . ?
C019 C012 C01I C01J -176.8(8) . . . . ?
C012 C01I C01J C013 -1.8(8) . . . . ?
N00S C013 C01J C01I 1.0(8) . . . . ?
C01A C013 C01J C01I -176.0(7) . . . . ?
N00T C01E C01K C01X 3.0(10) . . . . ?
C01W C01E C01K C01X -178.5(7) . . . . ?
N00T C01E C01K C01O 179.5(6) . . . . ?
C01W C01E C01K C01O -2.1(12) . . . . ?
C01Z N00U C01L C014 -175.7(6) . . . . ?
Si02 N00U C01L C014 -9.5(7) . . . . ?
C01Z N00U C01L C029 1.7(7) . . . . ?
Si02 N00U C01L C029 168.0(4) . . . . ?
N00R C014 C01L N00U 1.1(8) . . . . ?
C01T C014 C01L N00U -179.1(8) . . . . ?
N00R C014 C01L C029 -175.3(8) . . . . ?
C01T C014 C01L C029 4.5(16) . . . . ?
C01C C010 C01M F006 179.2(5) . . . . ?
C01B C010 C01M F006 -4.5(9) . . . . ?
C01C C010 C01M C02E 0.6(9) . . . . ?
C01B C010 C01M C02E 176.9(6) . . . . ?
N00T C019 C01N C01W -0.6(8) . . . . ?
C012 C019 C01N C01W 178.0(8) . . . . ?
C01E C01K C01O C02S 113.2(8) . . . . ?
C01X C01K C01O C02S -70.3(10) . . . . ?
C01E C01K C01O C02P -64.0(10) . . . . ?
C01X C01K C01O C02P 112.4(8) . . . . ?
C01Q N00V C01P C021 -1.1(7) . . . . ?
Si02 N00V C01P C021 160.6(5) . . . . ?
C01Q N00V C01P C028 177.4(6) . . . . ?
Si02 N00V C01P C028 -20.9(10) . . . . ?
C01P N00V C01Q C01V -179.0(6) . . . . ?
Si02 N00V C01Q C01V 19.2(9) . . . . ?
C01P N00V C01Q C02D 1.3(7) . . . . ?
Si02 N00V C01Q C02D -160.5(5) . . . . ?
C017 C01B C01R N00W 5.6(11) . . . . ?
C010 C01B C01R N00W -176.7(6) . . . . ?
C017 C01B C01R C02C -174.4(7) . . . . ?
C010 C01B C01R C02C 3.3(11) . . . . ?
C01G N00W C01R C01B 178.1(7) . . . . ?
Si02 N00W C01R C01B 12.2(10) . . . . ?
C01G N00W C01R C02C -1.9(7) . . . . ?
Si02 N00W C01R C02C -167.7(5) . . . . ?
C01X N00Y C01S C024 -175.4(7) . . . . ?
Si01 N00Y C01S C024 14.1(10) . . . . ?
C01X N00Y C01S C02K 1.9(8) . . . . ?
Si01 N00Y C01S C02K -168.5(5) . . . . ?
C017 C018 C01T C014 -0.1(8) . . . . ?
N00R C014 C01T C018 -1.4(8) . . . . ?
C01L C014 C01T C018 178.8(8) . . . . ?
C01F C016 C01U F007 179.9(6) . . . . ?
C01A C016 C01U F007 -1.8(9) . . . . ?
C01F C016 C01U C020 -1.8(9) . . . . ?
C01A C016 C01U C020 176.5(6) . . . . ?
N00V C01Q C01V C01G -2.5(11) . . . . ?
C02D C01Q C01V C01G 177.1(7) . . . . ?
N00V C01Q C01V C026 177.8(6) . . . . ?
C02D C01Q C01V C026 -2.6(11) . . . . ?
N00W C01G C01V C01Q -2.1(11) . . . . ?
C01Y C01G C01V C01Q 179.1(7) . . . . ?
N00W C01G C01V C026 177.6(6) . . . . ?
C01Y C01G C01V C026 -1.2(11) . . . . ?
C019 C01N C01W C01E 0.9(8) . . . . ?
C01K C01E C01W C01N -179.5(7) . . . . ?
N00T C01E C01W C01N -0.9(8) . . . . ?
C01E C01K C01X C02A 174.7(7) . . . . ?
C01O C01K C01X C02A -1.7(11) . . . . ?
C01E C01K C01X N00Y -0.3(11) . . . . ?
C01O C01K C01X N00Y -176.7(6) . . . . ?
C01S N00Y C01X C01K 172.4(7) . . . . ?
Si01 N00Y C01X C01K -17.0(10) . . . . ?
C01S N00Y C01X C02A -3.3(8) . . . . ?
Si01 N00Y C01X C02A 167.3(5) . . . . ?
N00W C01G C01Y C02C -3.0(8) . . . . ?
C01V C01G C01Y C02C 176.0(7) . . . . ?
C01L N00U C01Z C028 176.9(6) . . . . ?
Si02 N00U C01Z C028 13.6(10) . . . . ?
C01L N00U C01Z C02J -1.0(7) . . . . ?
Si02 N00U C01Z C02J -164.3(5) . . . . ?
F007 C01U C020 F00C -2.1(9) . . . . ?
C016 C01U C020 F00C 179.6(6) . . . . ?
F007 C01U C020 C02B 179.0(6) . . . . ?
C016 C01U C020 C02B 0.7(10) . . . . ?
C028 C01P C021 C02D -178.0(7) . . . . ?
N00V C01P C021 C02D 0.4(8) . . . . ?
C01A C015 C022 C025 178.9(6) . . . . ?
N00X C015 C022 C025 0.0(8) . . . . ?
F003 C01H C023 F00D 0.0(9) . . . . ?
C01C C01H C023 F00D -179.8(6) . . . . ?
F003 C01H C023 C02E 179.7(6) . . . . ?
C01C C01H C023 C02E -0.1(10) . . . . ?
N00X C01D C024 C01S -2.3(11) . . . . ?
C025 C01D C024 C01S -179.2(7) . . . . ?
N00X C01D C024 C38 179.4(7) . . . . ?
C025 C01D C024 C38 2.5(12) . . . . ?
N00X C01D C024 C48 175.5(7) . . . . ?
C025 C01D C024 C48 -1.4(11) . . . . ?
N00Y C01S C024 C01D -1.8(11) . . . . ?
C02K C01S C024 C01D -178.7(7) . . . . ?
N00Y C01S C024 C38 176.6(7) . . . . ?
C02K C01S C024 C38 -0.4(12) . . . . ?
N00Y C01S C024 C48 -179.6(7) . . . . ?
C02K C01S C024 C48 3.4(12) . . . . ?
C015 C022 C025 C01D 0.9(8) . . . . ?
C024 C01D C025 C022 175.8(7) . . . . ?
N00X C01D C025 C022 -1.4(8) . . . . ?
C01Q C01V C026 C02N -61.9(9) . . . . ?
C01G C01V C026 C02N 118.5(8) . . . . ?
C01Q C01V C026 C02X 121.3(8) . . . . ?
C01G C01V C026 C02X -58.3(10) . . . . ?
N00U C01Z C028 C01P 7.8(10) . . . . ?
C02J C01Z C028 C01P -174.9(7) . . . . ?
N00U C01Z C028 C027 -172.0(6) . . . . ?
C02J C01Z C028 C027 5.3(12) . . . . ?
C021 C01P C028 C01Z 174.6(7) . . . . ?
N00V C01P C028 C01Z -3.6(11) . . . . ?
C021 C01P C028 C027 -5.7(11) . . . . ?
N00V C01P C028 C027 176.1(6) . . . . ?
C02O C027 C028 C01Z -69.7(10) . . . . ?
C02G C027 C028 C01Z 102.6(8) . . . . ?
C02O C027 C028 C01P 110.6(8) . . . . ?
C02G C027 C028 C01P -77.2(9) . . . . ?
N00U C01L C029 C02J -1.8(8) . . . . ?
C014 C01L C029 C02J 174.6(8) . . . . ?
C01K C01X C02A C02K -172.2(7) . . . . ?
N00Y C01X C02A C02K 3.5(9) . . . . ?
F00C C020 C02B F00N 1.5(10) . . . . ?
C01U C020 C02B F00N -179.6(6) . . . . ?
F00C C020 C02B C02M -178.6(6) . . . . ?
C01U C020 C02B C02M 0.3(11) . . . . ?
C01G C01Y C02C C01R 1.7(9) . . . . ?
C01B C01R C02C C01Y -179.9(7) . . . . ?
N00W C01R C02C C01Y 0.1(8) . . . . ?
C01P C021 C02D C01Q 0.4(8) . . . . ?
C01V C01Q C02D C021 179.3(7) . . . . ?
N00V C01Q C02D C021 -1.1(8) . . . . ?
F00D C023 C02E F00J 0.4(10) . . . . ?
C01H C023 C02E F00J -179.3(6) . . . . ?
F00D C023 C02E C01M -179.4(6) . . . . ?
C01H C023 C02E C01M 0.9(10) . . . . ?
F006 C01M C02E F00J 0.4(10) . . . . ?
C010 C01M C02E F00J 179.0(6) . . . . ?
F006 C01M C02E C023 -179.8(6) . . . . ?
C010 C01M C02E C023 -1.1(10) . . . . ?
C02O C027 C02G F00A 178.3(6) . . . . ?
C028 C027 C02G F00A 5.6(11) . . . . ?
C02O C027 C02G C02I 1.0(11) . . . . ?
C028 C027 C02G C02I -171.8(7) . . . . ?
F00L C02F C02I F00H 2.4(11) . . . . ?
C02L C02F C02I F00H -177.6(7) . . . . ?
F00L C02F C02I C02G -178.0(7) . . . . ?
C02L C02F C02I C02G 2.0(12) . . . . ?
F00A C02G C02I F00H 0.4(11) . . . . ?
C027 C02G C02I F00H 177.8(7) . . . . ?
F00A C02G C02I C02F -179.2(7) . . . . ?
C027 C02G C02I C02F -1.8(12) . . . . ?
C01L C029 C02J C01Z 1.2(8) . . . . ?
C028 C01Z C02J C029 -177.7(8) . . . . ?
N00U C01Z C02J C029 -0.1(8) . . . . ?
C01X C02A C02K C01S -2.2(9) . . . . ?
C024 C01S C02K C02A 177.5(7) . . . . ?
N00Y C01S C02K C02A 0.1(9) . . . . ?
F00L C02F C02L F00O -0.8(12) . . . . ?
C02I C02F C02L F00O 179.1(7) . . . . ?
F00L C02F C02L C02O 178.5(7) . . . . ?
C02I C02F C02L C02O -1.6(12) . . . . ?
F00N C02B C02M F00I -0.9(11) . . . . ?
C020 C02B C02M F00I 179.2(7) . . . . ?
F00N C02B C02M C01F 179.7(6) . . . . ?
C020 C02B C02M C01F -0.2(11) . . . . ?
F005 C01F C02M F00I -0.6(10) . . . . ?
C016 C01F C02M F00I 179.6(6) . . . . ?
F005 C01F C02M C02B 178.7(6) . . . . ?
C016 C01F C02M C02B -1.1(11) . . . . ?
C02X C026 C02N C02Q -0.4(11) . . . . ?
C01V C026 C02N C02Q -177.3(6) . . . . ?
C02G C027 C02O F00M 179.8(7) . . . . ?
C028 C027 C02O F00M -7.6(11) . . . . ?
C02G C027 C02O C02L -0.5(11) . . . . ?
C028 C027 C02O C02L 172.1(7) . . . . ?
C02F C02L C02O F00M -179.4(7) . . . . ?
F00O C02L C02O F00M -0.1(11) . . . . ?
C02F C02L C02O C027 0.8(12) . . . . ?
F00O C02L C02O C027 -179.9(7) . . . . ?
C02S C01O C02P F009 -178.2(7) . . . . ?
C01K C01O C02P F009 -0.8(11) . . . . ?
C02S C01O C02P C02T 0.5(12) . . . . ?
C01K C01O C02P C02T 178.0(8) . . . . ?
C026 C02N C02Q C02U 1.2(11) . . . . ?
C02P C01O C02S F00K 179.0(7) . . . . ?
C01K C01O C02S F00K 1.6(12) . . . . ?
C02P C01O C02S C02W -1.3(13) . . . . ?
C01K C01O C02S C02W -178.7(9) . . . . ?
F009 C02P C02T F00Q -0.9(12) . . . . ?
C01O C02P C02T F00Q -179.6(7) . . . . ?
F009 C02P C02T C02V 179.6(9) . . . . ?
C01O C02P C02T C02V 0.8(14) . . . . ?
C02N C02Q C02U C02Y -1.2(14) . . . . ?
F00Q C02T C02V F011 0.8(16) . . . . ?
C02P C02T C02V F011 -179.6(10) . . . . ?
F00Q C02T C02V C02W 179.1(10) . . . . ?
C02P C02T C02V C02W -1.4(17) . . . . ?
F011 C02V C02W F00Z 3.3(18) . . . . ?
C02T C02V C02W F00Z -174.9(10) . . . . ?
F011 C02V C02W C02S 178.9(11) . . . . ?
C02T C02V C02W C02S 0.6(18) . . . . ?
F00K C02S C02W F00Z -4.0(15) . . . . ?
C01O C02S C02W F00Z 176.3(9) . . . . ?
F00K C02S C02W C02V -179.5(10) . . . . ?
C01O C02S C02W C02V 0.8(17) . . . . ?
C02N C026 C02X C02Y -0.3(14) . . . . ?
C01V C026 C02X C02Y 176.6(9) . . . . ?
C02Q C02U C02Y C02X 0.5(18) . . . . ?
C026 C02X C02Y C02U 0.3(18) . . . . ?
C01D C024 C38 C39 -64.6(10) . . . . ?
C01S C024 C38 C39 117.1(8) . . . . ?
C01D C024 C38 C43 114.1(8) . . . . ?
C01S C024 C38 C43 -64.3(10) . . . . ?
C43 C38 C39 C40 0.0 . . . . ?
C024 C38 C39 C40 178.7(10) . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C41 C42 C43 0.0 . . . . ?
C41 C42 C43 C38 0.0 . . . . ?
C39 C38 C43 C42 0.0 . . . . ?
C024 C38 C43 C42 -178.6(10) . . . . ?
C01D C024 C48 C44 59.8(9) . . . . ?
C01S C024 C48 C44 -122.3(8) . . . . ?
C01D C024 C48 C47 -123.0(7) . . . . ?
C01S C024 C48 C47 54.9(10) . . . . ?
C47 C48 C44 C45 0.0 . . . . ?
C024 C48 C44 C45 177.2(9) . . . . ?
C48 C44 C45 C49 0.0 . . . . ?
C44 C45 C49 C46 0.0 . . . . ?
C45 C49 C46 C47 0.0 . . . . ?
C49 C46 C47 C48 0.0 . . . . ?
C44 C48 C47 C46 0.0 . . . . ?
C024 C48 C47 C46 -177.1(10) . . . . ?

_refine_diff_density_max         1.113
_refine_diff_density_min         -1.461
_refine_diff_density_rms         0.113

####################################################################### 
# 
# 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_210208yamagata
_database_code_depnum_ccdc_archive 'CCDC 2165331'
loop_
_audit_author_name
_audit_author_address
'kyo yamagata'
;Kyoto University
Japan
;
_audit_update_record             
;
2022-04-08 deposited with the CCDC.	2022-06-28 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         
'2(C40 H22 F10 N4 O Si2), 0.5(C6 H14), C H2 Cl2'
_chemical_formula_sum            'C84 H53 Cl2 F20 N8 O2 Si4'
_chemical_formula_weight         1769.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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                   15.8132(3)
_cell_length_b                   15.8561(4)
_cell_length_c                   18.1911(3)
_cell_angle_alpha                72.484(2)
_cell_angle_beta                 89.3890(10)
_cell_angle_gamma                62.843(2)
_cell_volume                     3826.76(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    15680
_cell_measurement_theta_min      2.5450
_cell_measurement_theta_max      72.3670

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_F_000             1798
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    2.294
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.573
_exptl_absorpt_correction_T_max  0.709
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            47724
_diffrn_reflns_av_unetI/netI     0.0422
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.576
_diffrn_reflns_theta_max         65.000
_diffrn_reflns_theta_full        65.000
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measured_fraction_theta_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.971
_reflns_number_total             12657
_reflns_number_gt                9240
_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)+(0.1344P)²+3.5253P] 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         12657
_refine_ls_number_parameters     1118
_refine_ls_number_restraints     116
_refine_ls_R_factor_all          0.0941
_refine_ls_R_factor_gt           0.0704
_refine_ls_wR_factor_ref         0.2191
_refine_ls_wR_factor_gt          0.1974
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.032
_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 0.5392(3) 0.3713(3) 0.6647(2) 0.0392(9) Uani 1 1 d . . . . .
Si1 Si 0.67992(8) 0.24083(8) 0.79284(6) 0.0371(3) Uani 1 1 d . . . . .
Si2 Si 0.64777(8) 0.68510(8) 0.41367(6) 0.0404(3) Uani 1 1 d . . . . .
Si3 Si 0.81096(9) 0.33034(9) 0.82851(6) 0.0465(3) Uani 1 1 d . . . . .
F1 F 0.35081(18) 0.72500(18) 0.59924(12) 0.0484(6) Uani 1 1 d . . . . .
F2 F 0.23781(18) 0.8121(2) 0.69289(14) 0.0563(6) Uani 1 1 d . . . . .
F3 F 0.97680(19) 0.1250(2) 0.64260(14) 0.0567(6) Uani 1 1 d . . . . .
F4 F 0.8437(2) -0.09549(19) 0.69025(16) 0.0593(7) Uani 1 1 d . . . . .
O1 O 0.7391(2) 0.30262(19) 0.78972(14) 0.0418(6) Uani 1 1 d . . . . .
F5 F 0.4710(2) 0.5953(2) 0.80563(15) 0.0650(8) Uani 1 1 d . . . . .
O2 O 0.7203(2) 0.7251(2) 0.43196(15) 0.0440(7) Uani 1 1 d . . . . .
C19 C 0.6124(3) 0.3050(3) 0.6361(2) 0.0394(9) Uani 1 1 d . . . . .
F6 F 1.1073(2) 0.0136(2) 0.56765(15) 0.0685(8) Uani 1 1 d . . . . .
F7 F 1.1057(2) -0.1511(2) 0.55309(15) 0.0706(8) Uani 1 1 d . . . . .
F8 F 0.7993(2) 0.3786(2) 0.26869(18) 0.0694(8) Uani 1 1 d . . . . .
F9 F 0.4959(2) 0.9331(2) 0.57486(17) 0.0675(8) Uani 1 1 d . . . . .
F10 F 0.9722(2) -0.2039(2) 0.61351(17) 0.0694(8) Uani 1 1 d . . . . .
F11 F 0.2526(2) 0.9591(2) 0.73011(18) 0.0741(8) Uani 1 1 d . . . . .
F12 F 0.3397(2) 0.3870(3) 0.93773(17) 0.0718(8) Uani 1 1 d . . . . .
F13 F 0.9412(2) 0.2735(2) 0.20011(18) 0.0808(9) Uani 1 1 d . . . . .
N1 N 0.6328(2) 0.2355(2) 0.88680(18) 0.0396(7) Uani 1 1 d . . . . .
F14 F 0.3349(3) 0.7488(2) 0.83905(17) 0.0923(12) Uani 1 1 d . . . . .
F15 F 0.9484(2) 0.5740(3) 0.2776(2) 0.0814(9) Uani 1 1 d . . . . .
F16 F 0.3829(3) 1.0183(2) 0.6707(2) 0.0853(10) Uani 1 1 d . . . . .
N2 N 0.6841(2) 0.2279(2) 0.69506(17) 0.0395(7) Uani 1 1 d . . . . .
N3 N 0.7744(2) 0.1079(2) 0.83130(17) 0.0373(7) Uani 1 1 d . . . . .
N4 N 0.6171(2) 0.6344(2) 0.50975(18) 0.0421(8) Uani 1 1 d . . . . .
N5 N 0.5583(2) 0.3422(2) 0.74440(17) 0.0391(7) Uani 1 1 d . . . . .
N6 N 0.5294(3) 0.7982(2) 0.39469(18) 0.0413(8) Uani 1 1 d . . . . .
N7 N 0.6502(3) 0.7013(3) 0.30861(19) 0.0431(8) Uani 1 1 d . . . . .
N8 N 0.7283(2) 0.5486(2) 0.43417(18) 0.0428(8) Uani 1 1 d . . . . .
F17 F 1.0921(3) 0.3121(3) 0.1750(2) 0.0969(12) Uani 1 1 d . . . . .
C9 C 0.6811(3) 0.1637(3) 0.9597(2) 0.0407(9) Uani 1 1 d . . . . .
C11 C 0.8087(3) 0.0473(3) 0.9099(2) 0.0397(9) Uani 1 1 d . . . . .
C4 C 0.4858(3) 0.4139(3) 0.7679(2) 0.0410(9) Uani 1 1 d . . . . .
C6 C 0.5562(3) 0.3157(3) 0.9023(2) 0.0406(9) Uani 1 1 d . . . . .
C14 C 0.8399(3) 0.0525(3) 0.7889(2) 0.0401(9) Uani 1 1 d . . . . .
C15 C 0.8331(3) 0.0817(3) 0.7082(2) 0.0392(9) Uani 1 1 d . . . . .
C16 C 0.7537(3) 0.1683(3) 0.6611(2) 0.0398(9) Uani 1 1 d . . . . .
C20 C 0.7398(3) 0.4845(3) 0.5082(2) 0.0428(9) Uani 1 1 d . . . . .
C2 C 0.4526(3) 0.4620(3) 0.6368(2) 0.0434(9) Uani 1 1 d . . . . .
H1 H 0.4229 0.4977 0.5841 0.052 Uiso 1 1 calc R U . . .
C3 C 0.4194(3) 0.4889(3) 0.7004(2) 0.0428(9) Uani 1 1 d . . . . .
H2 H 0.3622 0.5472 0.6997 0.051 Uiso 1 1 calc R U . . .
C5 C 0.4853(3) 0.4028(3) 0.8464(2) 0.0413(9) Uani 1 1 d . . . . .
C7 C 0.5592(3) 0.2922(3) 0.9845(2) 0.0439(9) Uani 1 1 d . . . . .
H3 H 0.5163 0.3344 1.0105 0.053 Uiso 1 1 calc R U . . .
C8 C 0.6340(3) 0.1993(3) 1.0191(2) 0.0448(10) Uani 1 1 d . . . . .
H4 H 0.6517 0.1643 1.0736 0.054 Uiso 1 1 calc R U . . .
C10 C 0.7635(3) 0.0740(3) 0.9714(2) 0.0393(9) Uani 1 1 d . . . . .
C12 C 0.8929(3) -0.0422(3) 0.9155(2) 0.0432(9) Uani 1 1 d . . . . .
H5 H 0.9293 -0.0954 0.9623 0.052 Uiso 1 1 calc R U . . .
C13 C 0.9125(3) -0.0389(3) 0.8422(2) 0.0427(9) Uani 1 1 d . . . . .
H6 H 0.9658 -0.0891 0.8288 0.051 Uiso 1 1 calc R U . . .
C17 C 0.7256(3) 0.2087(3) 0.5790(2) 0.0437(9) Uani 1 1 d . . . . .
H7 H 0.7610 0.1823 0.5416 0.052 Uiso 1 1 calc R U . . .
C18 C 0.6378(3) 0.2930(3) 0.5637(2) 0.0421(9) Uani 1 1 d . . . . .
H8 H 0.6010 0.3355 0.5137 0.050 Uiso 1 1 calc R U . . .
C21 C 0.8152(3) 0.3879(3) 0.5166(2) 0.0479(10) Uani 1 1 d . . . . .
H9 H 0.8380 0.3299 0.5619 0.057 Uiso 1 1 calc R U . . .
C22 C 0.8493(3) 0.3940(3) 0.4466(3) 0.0500(10) Uani 1 1 d . . . . .
H10 H 0.9009 0.3408 0.4346 0.060 Uiso 1 1 calc R U . . .
C23 C 0.7937(3) 0.4943(3) 0.3950(2) 0.0446(10) Uani 1 1 d . . . . .
C24 C 0.7924(3) 0.5388(3) 0.3161(2) 0.0478(10) Uani 1 1 d . . . . .
C25 C 0.7204(3) 0.6364(3) 0.2762(2) 0.0462(10) Uani 1 1 d . . . . .
C26 C 0.7041(4) 0.6840(4) 0.1937(2) 0.0528(11) Uani 1 1 d . . . . .
H11 H 0.7420 0.6564 0.1578 0.063 Uiso 1 1 calc R U . . .
C27 C 0.6257(4) 0.7749(4) 0.1756(2) 0.0529(11) Uani 1 1 d . . . . .
H12 H 0.5979 0.8217 0.1245 0.064 Uiso 1 1 calc R U . . .
C28 C 0.5917(3) 0.7888(3) 0.2459(2) 0.0453(10) Uani 1 1 d . . . . .
C29 C 0.5149(3) 0.8736(3) 0.2526(2) 0.0458(10) Uani 1 1 d . . . . .
C30 C 0.4851(3) 0.8781(3) 0.3239(2) 0.0446(10) Uani 1 1 d . . . . .
C31 C 0.4070(3) 0.9601(3) 0.3383(2) 0.0496(10) Uani 1 1 d . . . . .
H13 H 0.3653 1.0228 0.3001 0.060 Uiso 1 1 calc R U . . .
C32 C 0.4022(3) 0.9340(3) 0.4148(2) 0.0460(10) Uani 1 1 d . . . . .
H14 H 0.3567 0.9753 0.4401 0.055 Uiso 1 1 calc R U . . .
C33 C 0.4767(3) 0.8339(3) 0.4518(2) 0.0430(9) Uani 1 1 d . . . . .
C34 C 0.4907(3) 0.7785(3) 0.5303(2) 0.0408(9) Uani 1 1 d . . . . .
C35 C 0.5589(3) 0.6779(3) 0.5583(2) 0.0413(9) Uani 1 1 d . . . . .
C36 C 0.5810(3) 0.6025(3) 0.6324(2) 0.0445(10) Uani 1 1 d . . . . .
H15 H 0.5515 0.6123 0.6770 0.053 Uiso 1 1 calc R U . . .
C37 C 0.6516(3) 0.5140(3) 0.6284(2) 0.0454(10) Uani 1 1 d . . . . .
H16 H 0.6797 0.4510 0.6692 0.054 Uiso 1 1 calc R U . . .
C38 C 0.6751(3) 0.5336(3) 0.5523(2) 0.0426(9) Uani 1 1 d . . . . .
C39 C 0.8061(3) 0.0035(3) 1.0530(2) 0.0410(9) Uani 1 1 d . . . . .
C40 C 0.7683(4) -0.0580(3) 1.0914(2) 0.0530(11) Uani 1 1 d . . . . .
H17 H 0.7158 -0.0565 1.0651 0.064 Uiso 1 1 calc R U . . .
C41 C 0.8055(4) -0.1218(3) 1.1675(3) 0.0572(12) Uani 1 1 d . . . . .
H18 H 0.7785 -0.1634 1.1930 0.069 Uiso 1 1 calc R U . . .
C42 C 0.8818(3) -0.1248(3) 1.2061(2) 0.0502(11) Uani 1 1 d . . . . .
H19 H 0.9082 -0.1690 1.2581 0.060 Uiso 1 1 calc R U . . .
C43 C 0.9188(4) -0.0637(4) 1.1688(3) 0.0619(13) Uani 1 1 d . . . . .
H20 H 0.9707 -0.0648 1.1956 0.074 Uiso 1 1 calc R U . . .
C44 C 0.8823(4) 0.0003(4) 1.0921(2) 0.0562(12) Uani 1 1 d . . . . .
H21 H 0.9097 0.0416 1.0668 0.067 Uiso 1 1 calc R U . . .
C45 C 0.9070(3) 0.0170(3) 0.6700(2) 0.0453(10) Uani 1 1 d . . . . .
C46 C 0.9758(3) 0.0425(3) 0.6375(2) 0.0465(10) Uani 1 1 d . . . . .
C47 C 1.0426(3) -0.0138(4) 0.5988(2) 0.0546(12) Uani 1 1 d . . . . .
C48 C 1.0417(3) -0.0974(4) 0.5913(2) 0.0555(12) Uani 1 1 d . . . . .
C49 C 0.9737(4) -0.1237(4) 0.6217(2) 0.0542(11) Uani 1 1 d . . . . .
C50 C 0.9081(3) -0.0672(3) 0.6609(2) 0.0486(10) Uani 1 1 d . . . . .
C51 C 0.4110(3) 0.4851(3) 0.8695(2) 0.0473(10) Uani 1 1 d . . . . .
C52 C 0.4055(4) 0.5796(3) 0.8459(2) 0.0529(11) Uani 1 1 d . . . . .
C53 C 0.3353(4) 0.6598(4) 0.8629(3) 0.0683(15) Uani 1 1 d . . . . .
C54 C 0.2672(4) 0.6486(5) 0.9039(4) 0.0803(19) Uani 1 1 d . . . . .
C55 C 0.2680(4) 0.5562(6) 0.9299(3) 0.0762(17) Uani 1 1 d . . . . .
C56 C 0.3403(4) 0.4753(4) 0.9124(3) 0.0581(12) Uani 1 1 d . . . . .
C57 C 0.4633(3) 0.9646(3) 0.1817(2) 0.0504(11) Uani 1 1 d . . . . .
C58 C 0.5120(4) 1.0114(4) 0.1377(3) 0.0602(13) Uani 1 1 d . . . . .
H22 H 0.5788 0.9852 0.1530 0.072 Uiso 1 1 calc R U . . .
C59 C 0.4644(4) 1.0962(4) 0.0717(3) 0.0729(16) Uani 1 1 d . . . . .
H23 H 0.4988 1.1271 0.0422 0.087 Uiso 1 1 calc R U . . .
C60 C 0.3673(4) 1.1352(4) 0.0491(3) 0.0710(15) Uani 1 1 d . . . . .
H24 H 0.3347 1.1929 0.0040 0.085 Uiso 1 1 calc R U . . .
C61 C 0.3173(4) 1.0900(4) 0.0923(3) 0.0646(14) Uani 1 1 d . . . . .
H25 H 0.2503 1.1170 0.0771 0.077 Uiso 1 1 calc R U . . .
C62 C 0.3654(4) 1.0053(4) 0.1575(3) 0.0556(12) Uani 1 1 d . . . . .
H26 H 0.3307 0.9743 0.1865 0.067 Uiso 1 1 calc R U . . .
C63 C 0.4280(3) 0.8258(3) 0.5835(2) 0.0452(10) Uani 1 1 d . . . . .
C64 C 0.4326(4) 0.9014(3) 0.6037(3) 0.0530(11) Uani 1 1 d . . . . .
C65 C 0.3751(4) 0.9460(4) 0.6524(3) 0.0597(12) Uani 1 1 d . . . . .
C66 C 0.3095(4) 0.9158(4) 0.6830(3) 0.0587(12) Uani 1 1 d . . . . .
C67 C 0.3022(3) 0.8414(3) 0.6647(2) 0.0483(10) Uani 1 1 d . . . . .
C68 C 0.3612(3) 0.7976(3) 0.6158(2) 0.0431(9) Uani 1 1 d . . . . .
C69 C 0.8676(4) 0.4809(4) 0.2752(3) 0.0537(11) Uani 1 1 d . . . . .
C70 C 0.8705(3) 0.4033(4) 0.2542(3) 0.0546(11) Uani 1 1 d . . . . .
C71 C 0.9437(4) 0.3476(4) 0.2192(3) 0.0640(14) Uani 1 1 d . . . . .
C72 C 1.0198(4) 0.3685(5) 0.2067(3) 0.0717(15) Uani 1 1 d . . . . .
C73 C 1.0202(4) 0.4442(5) 0.2262(3) 0.0743(15) Uani 1 1 d . . . . .
C74 C 0.9457(4) 0.5004(4) 0.2593(3) 0.0662(14) Uani 1 1 d . . . . .
F18 F 0.2009(3) 0.5434(4) 0.9697(2) 0.1070(14) Uani 1 1 d . . . . .
F19 F 0.1961(3) 0.7273(3) 0.9193(2) 0.1148(16) Uani 1 1 d . . . . .
F20 F 1.0957(3) 0.4624(3) 0.2155(2) 0.1023(12) Uani 1 1 d . . . . .
C75 C 0.8850(4) 0.2268(4) 0.9193(3) 0.0569(12) Uani 1 1 d . . . . .
H27 H 0.9279 0.2446 0.9419 0.085 Uiso 1 1 calc R U . . .
H28 H 0.8428 0.2161 0.9567 0.085 Uiso 1 1 calc R U . . .
H29 H 0.9233 0.1650 0.9072 0.085 Uiso 1 1 calc R U . . .
C76 C 0.8874(4) 0.3477(5) 0.7531(3) 0.0765(17) Uani 1 1 d . . . . .
H30 H 0.9329 0.3648 0.7727 0.115 Uiso 1 1 calc R U . . .
H31 H 0.9229 0.2854 0.7411 0.115 Uiso 1 1 calc R U . . .
H32 H 0.8466 0.4022 0.7057 0.115 Uiso 1 1 calc R U . . .
C77 C 0.7386(5) 0.4455(4) 0.8514(3) 0.0832(19) Uani 1 1 d . . . . .
H33 H 0.7811 0.4630 0.8749 0.125 Uiso 1 1 calc R U . . .
H34 H 0.7000 0.5004 0.8035 0.125 Uiso 1 1 calc R U . . .
H35 H 0.6959 0.4346 0.8882 0.125 Uiso 1 1 calc R U . . .
C80 C -0.0010(4) 0.5421(4) 0.0125(3) 0.0651(13) Uani 1 1 d . . . . .
H57 H 0.0484 0.5120 0.0588 0.078 Uiso 1 1 calc R U . . .
H58 H 0.0168 0.5843 -0.0300 0.078 Uiso 1 1 calc R U . . .
C81 C -0.0974(4) 0.6091(4) 0.0318(3) 0.0670(14) Uani 1 1 d . . . . .
H59 H -0.1470 0.6397 -0.0144 0.080 Uiso 1 1 calc R U . . .
H60 H -0.1153 0.5674 0.0746 0.080 Uiso 1 1 calc R U . . .
C82 C -0.0961(4) 0.6922(4) 0.0562(3) 0.0720(15) Uani 1 1 d . . . . .
H36 H -0.1597 0.7330 0.0680 0.108 Uiso 1 1 calc R U . . .
H37 H -0.0481 0.6624 0.1027 0.108 Uiso 1 1 calc R U . . .
H38 H -0.0798 0.7347 0.0137 0.108 Uiso 1 1 calc R U . . .
Cl2 Cl 0.3005(14) 0.2491(15) 0.2776(12) 0.755(11) Uani 1 1 d D U . . .
Cl1 Cl 0.4464(14) 0.2712(14) 0.1715(10) 0.695(10) Uani 1 1 d D U . . .
C87 C 0.330(3) 0.271(5) 0.1798(18) 0.729(11) Uani 1 1 d D U . . .
H61 H 0.2791 0.3367 0.1456 0.875 Uiso 1 1 calc R U . . .
H62 H 0.3316 0.2185 0.1605 0.875 Uiso 1 1 calc R U . . .
Si4 Si 0.8025(3) 0.7190(3) 0.4887(2) 0.0438(7) Uani 0.720(11) 1 d . U P A 1
C78 C 0.8838(13) 0.5899(14) 0.5523(12) 0.153(9) Uani 0.720(11) 1 d . U P A 1
H39 H 0.9320 0.5904 0.5853 0.230 Uiso 0.720(11) 1 calc R U P A 1
H40 H 0.8466 0.5626 0.5852 0.230 Uiso 0.720(11) 1 calc R U P A 1
H41 H 0.9160 0.5480 0.5202 0.230 Uiso 0.720(11) 1 calc R U P A 1
C79 C 0.8841(8) 0.7487(10) 0.4264(6) 0.105(4) Uani 0.720(11) 1 d . U P A 1
H42 H 0.9352 0.7458 0.4587 0.158 Uiso 0.720(11) 1 calc R U P A 1
H43 H 0.9125 0.6998 0.3991 0.158 Uiso 0.720(11) 1 calc R U P A 1
H44 H 0.8480 0.8164 0.3882 0.158 Uiso 0.720(11) 1 calc R U P A 1
C86 C 0.7462(9) 0.8167(9) 0.5351(7) 0.128(5) Uani 0.720(11) 1 d . U P A 1
H45 H 0.7957 0.8133 0.5695 0.191 Uiso 0.720(11) 1 calc R U P A 1
H46 H 0.7144 0.8831 0.4947 0.191 Uiso 0.720(11) 1 calc R U P A 1
H47 H 0.6986 0.8054 0.5656 0.191 Uiso 0.720(11) 1 calc R U P A 1
Si5 Si 0.8265(11) 0.7013(10) 0.4699(9) 0.073(4) Uani 0.280(11) 1 d . U P A 2
C88 C 0.8255(16) 0.8193(15) 0.4559(13) 0.069(6) Uani 0.280(11) 1 d . U P A 2
H48 H 0.8881 0.8065 0.4781 0.103 Uiso 0.280(11) 1 calc R U P A 2
H49 H 0.8127 0.8571 0.4000 0.103 Uiso 0.280(11) 1 calc R U P A 2
H50 H 0.7752 0.8584 0.4820 0.103 Uiso 0.280(11) 1 calc R U P A 2
C89 C 0.919(2) 0.630(3) 0.420(2) 0.150(13) Uani 0.280(11) 1 d . U P A 2
H51 H 0.9818 0.6157 0.4424 0.225 Uiso 0.280(11) 1 calc R U P A 2
H52 H 0.9182 0.5665 0.4264 0.225 Uiso 0.280(11) 1 calc R U P A 2
H53 H 0.9057 0.6691 0.3644 0.225 Uiso 0.280(11) 1 calc R U P A 2
C90 C 0.851(2) 0.608(2) 0.5717(12) 0.054(6) Uani 0.280(11) 1 d . U P A 2
H54 H 0.9136 0.5898 0.5980 0.082 Uiso 0.280(11) 1 calc R U P A 2
H55 H 0.8006 0.6379 0.6016 0.082 Uiso 0.280(11) 1 calc R U P A 2
H56 H 0.8517 0.5470 0.5679 0.082 Uiso 0.280(11) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N5 1.373(5) . ?
C1 C19 1.387(6) . ?
C1 C2 1.406(6) . ?
Si1 O1 1.625(3) . ?
Si1 N2 1.848(3) . ?
Si1 N5 1.849(3) . ?
Si1 N3 1.851(3) . ?
Si1 N1 1.852(3) . ?
Si2 O2 1.621(3) . ?
Si2 N6 1.848(4) . ?
Si2 N4 1.852(3) . ?
Si2 N7 1.853(3) . ?
Si2 N8 1.858(4) . ?
Si3 O1 1.626(3) . ?
Si3 C77 1.832(6) . ?
Si3 C75 1.857(4) . ?
Si3 C76 1.860(5) . ?
F1 C68 1.351(5) . ?
F2 C67 1.339(5) . ?
F3 C46 1.345(5) . ?
F4 C50 1.335(5) . ?
F5 C52 1.334(6) . ?
O2 Si4 1.619(5) . ?
O2 Si5 1.652(13) . ?
C19 N2 1.379(5) . ?
C19 C18 1.415(5) . ?
F6 C47 1.344(5) . ?
F7 C48 1.337(5) . ?
F8 C70 1.350(6) . ?
F9 C64 1.349(5) . ?
F10 C49 1.334(6) . ?
F11 C66 1.338(5) . ?
F12 C56 1.342(6) . ?
F13 C71 1.338(6) . ?
N1 C9 1.400(5) . ?
N1 C6 1.402(5) . ?
F14 C53 1.342(7) . ?
F15 C74 1.325(6) . ?
F16 C65 1.342(5) . ?
N2 C16 1.368(5) . ?
N3 C11 1.405(5) . ?
N3 C14 1.414(5) . ?
N4 C35 1.368(5) . ?
N4 C38 1.388(5) . ?
N5 C4 1.372(5) . ?
N6 C30 1.407(5) . ?
N6 C33 1.414(5) . ?
N7 C25 1.396(6) . ?
N7 C28 1.408(5) . ?
N8 C23 1.363(5) . ?
N8 C20 1.376(5) . ?
F17 C72 1.343(6) . ?
C9 C10 1.378(6) . ?
C9 C8 1.417(6) . ?
C11 C10 1.392(6) . ?
C11 C12 1.410(6) . ?
C4 C5 1.386(5) . ?
C4 C3 1.425(5) . ?
C6 C5 1.402(6) . ?
C6 C7 1.423(5) . ?
C14 C15 1.388(5) . ?
C14 C13 1.420(6) . ?
C15 C16 1.392(6) . ?
C15 C45 1.490(6) . ?
C16 C17 1.420(5) . ?
C20 C38 1.388(6) . ?
C20 C21 1.410(6) . ?
C2 C3 1.370(6) . ?
C2 H1 0.9500 . ?
C3 H2 0.9500 . ?
C5 C51 1.476(6) . ?
C7 C8 1.353(6) . ?
C7 H3 0.9500 . ?
C8 H4 0.9500 . ?
C10 C39 1.498(5) . ?
C12 C13 1.358(6) . ?
C12 H5 0.9500 . ?
C13 H6 0.9500 . ?
C17 C18 1.371(6) . ?
C17 H7 0.9500 . ?
C18 H8 0.9500 . ?
C21 C22 1.372(6) . ?
C21 H9 0.9500 . ?
C22 C23 1.423(6) . ?
C22 H10 0.9500 . ?
C23 C24 1.392(6) . ?
C24 C25 1.397(6) . ?
C24 C69 1.484(6) . ?
C25 C26 1.426(6) . ?
C26 C27 1.347(7) . ?
C26 H11 0.9500 . ?
C27 C28 1.421(6) . ?
C27 H12 0.9500 . ?
C28 C29 1.379(6) . ?
C29 C30 1.386(6) . ?
C29 C57 1.496(6) . ?
C30 C31 1.419(6) . ?
C31 C32 1.340(6) . ?
C31 H13 0.9500 . ?
C32 C33 1.424(6) . ?
C32 H14 0.9500 . ?
C33 C34 1.391(5) . ?
C34 C35 1.386(6) . ?
C34 C63 1.488(6) . ?
C35 C36 1.424(5) . ?
C36 C37 1.359(6) . ?
C36 H15 0.9500 . ?
C37 C38 1.409(6) . ?
C37 H16 0.9500 . ?
C39 C44 1.378(6) . ?
C39 C40 1.382(6) . ?
C40 C41 1.384(6) . ?
C40 H17 0.9500 . ?
C41 C42 1.375(7) . ?
C41 H18 0.9500 . ?
C42 C43 1.364(7) . ?
C42 H19 0.9500 . ?
C43 C44 1.392(6) . ?
C43 H20 0.9500 . ?
C44 H21 0.9500 . ?
C45 C50 1.386(6) . ?
C45 C46 1.394(6) . ?
C46 C47 1.382(6) . ?
C47 C48 1.378(7) . ?
C48 C49 1.376(7) . ?
C49 C50 1.382(6) . ?
C51 C52 1.390(6) . ?
C51 C56 1.396(7) . ?
C52 C53 1.373(7) . ?
C53 C54 1.350(9) . ?
C54 F19 1.350(6) . ?
C54 C55 1.392(10) . ?
C55 F18 1.335(7) . ?
C55 C56 1.398(8) . ?
C57 C62 1.392(7) . ?
C57 C58 1.392(6) . ?
C58 C59 1.393(7) . ?
C58 H22 0.9500 . ?
C59 C60 1.380(8) . ?
C59 H23 0.9500 . ?
C60 C61 1.384(7) . ?
C60 H24 0.9500 . ?
C61 C62 1.385(6) . ?
C61 H25 0.9500 . ?
C62 H26 0.9500 . ?
C63 C68 1.387(6) . ?
C63 C64 1.387(6) . ?
C64 C65 1.372(7) . ?
C65 C66 1.378(7) . ?
C66 C67 1.369(7) . ?
C67 C68 1.381(6) . ?
C69 C70 1.377(7) . ?
C69 C74 1.411(7) . ?
C70 C71 1.383(7) . ?
C71 C72 1.387(8) . ?
C72 C73 1.353(9) . ?
C73 F20 1.350(7) . ?
C73 C74 1.377(8) . ?
C75 H27 0.9800 . ?
C75 H28 0.9800 . ?
C75 H29 0.9800 . ?
C76 H30 0.9800 . ?
C76 H31 0.9800 . ?
C76 H32 0.9800 . ?
C77 H33 0.9800 . ?
C77 H34 0.9800 . ?
C77 H35 0.9800 . ?
C80 C81 1.520(7) . ?
C80 C80 1.521(11) 2_565 ?
C80 H57 0.9900 . ?
C80 H58 0.9900 . ?
C81 C82 1.519(8) . ?
C81 H59 0.9900 . ?
C81 H60 0.9900 . ?
C82 H36 0.9800 . ?
C82 H37 0.9800 . ?
C82 H38 0.9800 . ?
Cl2 C87 1.81(2) . ?
Cl1 C87 1.84(2) . ?
C87 H61 0.9900 . ?
C87 H62 0.9900 . ?
Si4 C78 1.839(18) . ?
Si4 C79 1.836(10) . ?
Si4 C86 1.848(10) . ?
C78 H39 0.9800 . ?
C78 H40 0.9800 . ?
C78 H41 0.9800 . ?
C79 H42 0.9800 . ?
C79 H43 0.9800 . ?
C79 H44 0.9800 . ?
C86 H45 0.9800 . ?
C86 H46 0.9800 . ?
C86 H47 0.9800 . ?
Si5 C88 1.80(2) . ?
Si5 C89 1.82(4) . ?
Si5 C90 1.90(3) . ?
C88 H48 0.9800 . ?
C88 H49 0.9800 . ?
C88 H50 0.9800 . ?
C89 H51 0.9800 . ?
C89 H52 0.9800 . ?
C89 H53 0.9800 . ?
C90 H54 0.9800 . ?
C90 H55 0.9800 . ?
C90 H56 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
N5 C1 C19 110.9(3) . . ?
N5 C1 C2 109.7(3) . . ?
C19 C1 C2 139.4(4) . . ?
O1 Si1 N2 102.22(15) . . ?
O1 Si1 N5 102.37(14) . . ?
N2 Si1 N5 80.39(15) . . ?
O1 Si1 N3 103.27(15) . . ?
N2 Si1 N3 87.66(14) . . ?
N5 Si1 N3 153.48(15) . . ?
O1 Si1 N1 103.93(14) . . ?
N2 Si1 N1 153.03(16) . . ?
N5 Si1 N1 87.65(15) . . ?
N3 Si1 N1 92.70(14) . . ?
O2 Si2 N6 102.06(15) . . ?
O2 Si2 N4 104.96(15) . . ?
N6 Si2 N4 87.54(15) . . ?
O2 Si2 N7 102.43(15) . . ?
N6 Si2 N7 92.67(15) . . ?
N4 Si2 N7 151.94(16) . . ?
O2 Si2 N8 103.20(15) . . ?
N6 Si2 N8 154.04(16) . . ?
N4 Si2 N8 80.31(15) . . ?
N7 Si2 N8 87.67(15) . . ?
O1 Si3 C77 108.6(2) . . ?
O1 Si3 C75 110.47(18) . . ?
C77 Si3 C75 109.4(2) . . ?
O1 Si3 C76 105.0(2) . . ?
C77 Si3 C76 112.2(3) . . ?
C75 Si3 C76 111.1(2) . . ?
Si1 O1 Si3 153.15(17) . . ?
Si4 O2 Si2 151.4(2) . . ?
Si2 O2 Si5 149.8(5) . . ?
N2 C19 C1 111.7(3) . . ?
N2 C19 C18 109.1(3) . . ?
C1 C19 C18 139.2(4) . . ?
C9 N1 C6 105.7(3) . . ?
C9 N1 Si1 126.3(3) . . ?
C6 N1 Si1 125.7(3) . . ?
C16 N2 C19 107.4(3) . . ?
C16 N2 Si1 133.9(3) . . ?
C19 N2 Si1 117.1(3) . . ?
C11 N3 C14 105.0(3) . . ?
C11 N3 Si1 127.3(3) . . ?
C14 N3 Si1 126.7(2) . . ?
C35 N4 C38 107.3(3) . . ?
C35 N4 Si2 133.6(3) . . ?
C38 N4 Si2 117.7(3) . . ?
C4 N5 C1 107.5(3) . . ?
C4 N5 Si1 132.8(3) . . ?
C1 N5 Si1 117.8(3) . . ?
C30 N6 C33 105.2(3) . . ?
C30 N6 Si2 127.2(3) . . ?
C33 N6 Si2 125.9(3) . . ?
C25 N7 C28 106.1(3) . . ?
C25 N7 Si2 126.6(3) . . ?
C28 N7 Si2 126.5(3) . . ?
C23 N8 C20 107.6(3) . . ?
C23 N8 Si2 133.8(3) . . ?
C20 N8 Si2 117.7(3) . . ?
C10 C9 N1 124.9(4) . . ?
C10 C9 C8 125.7(4) . . ?
N1 C9 C8 109.4(4) . . ?
C10 C11 N3 123.5(4) . . ?
C10 C11 C12 126.5(3) . . ?
N3 C11 C12 110.0(3) . . ?
N5 C4 C5 120.2(4) . . ?
N5 C4 C3 108.1(3) . . ?
C5 C4 C3 131.7(4) . . ?
C5 C6 N1 125.9(3) . . ?
C5 C6 C7 125.2(4) . . ?
N1 C6 C7 108.9(3) . . ?
C15 C14 N3 125.5(4) . . ?
C15 C14 C13 125.6(4) . . ?
N3 C14 C13 108.9(3) . . ?
C14 C15 C16 120.8(4) . . ?
C14 C15 C45 120.6(3) . . ?
C16 C15 C45 118.4(3) . . ?
N2 C16 C15 119.3(3) . . ?
N2 C16 C17 109.0(3) . . ?
C15 C16 C17 131.6(4) . . ?
N8 C20 C38 111.5(4) . . ?
N8 C20 C21 109.5(4) . . ?
C38 C20 C21 139.0(4) . . ?
C3 C2 C1 106.8(3) . . ?
C3 C2 H1 126.6 . . ?
C1 C2 H1 126.6 . . ?
C2 C3 C4 107.9(4) . . ?
C2 C3 H2 126.1 . . ?
C4 C3 H2 126.1 . . ?
C4 C5 C6 120.0(4) . . ?
C4 C5 C51 118.9(4) . . ?
C6 C5 C51 121.1(4) . . ?
C8 C7 C6 108.2(4) . . ?
C8 C7 H3 125.9 . . ?
C6 C7 H3 125.9 . . ?
C7 C8 C9 107.9(3) . . ?
C7 C8 H4 126.1 . . ?
C9 C8 H4 126.1 . . ?
C9 C10 C11 122.1(3) . . ?
C9 C10 C39 118.9(3) . . ?
C11 C10 C39 119.0(4) . . ?
C13 C12 C11 107.8(4) . . ?
C13 C12 H5 126.1 . . ?
C11 C12 H5 126.1 . . ?
C12 C13 C14 108.3(4) . . ?
C12 C13 H6 125.8 . . ?
C14 C13 H6 125.8 . . ?
C18 C17 C16 107.4(4) . . ?
C18 C17 H7 126.3 . . ?
C16 C17 H7 126.3 . . ?
C17 C18 C19 107.2(3) . . ?
C17 C18 H8 126.4 . . ?
C19 C18 H8 126.4 . . ?
C22 C21 C20 106.6(4) . . ?
C22 C21 H9 126.7 . . ?
C20 C21 H9 126.7 . . ?
C21 C22 C23 107.8(4) . . ?
C21 C22 H10 126.1 . . ?
C23 C22 H10 126.1 . . ?
N8 C23 C24 119.7(4) . . ?
N8 C23 C22 108.5(4) . . ?
C24 C23 C22 131.6(4) . . ?
C23 C24 C25 119.9(4) . . ?
C23 C24 C69 119.2(4) . . ?
C25 C24 C69 120.9(4) . . ?
N7 C25 C24 126.6(4) . . ?
N7 C25 C26 108.7(4) . . ?
C24 C25 C26 124.7(4) . . ?
C27 C26 C25 108.3(4) . . ?
C27 C26 H11 125.9 . . ?
C25 C26 H11 125.9 . . ?
C26 C27 C28 108.3(4) . . ?
C26 C27 H12 125.9 . . ?
C28 C27 H12 125.9 . . ?
C29 C28 N7 125.1(4) . . ?
C29 C28 C27 126.4(4) . . ?
N7 C28 C27 108.6(4) . . ?
C28 C29 C30 121.8(4) . . ?
C28 C29 C57 119.6(4) . . ?
C30 C29 C57 118.5(4) . . ?
C29 C30 N6 123.7(4) . . ?
C29 C30 C31 127.1(4) . . ?
N6 C30 C31 109.2(4) . . ?
C32 C31 C30 108.4(4) . . ?
C32 C31 H13 125.8 . . ?
C30 C31 H13 125.8 . . ?
C31 C32 C33 108.5(4) . . ?
C31 C32 H14 125.8 . . ?
C33 C32 H14 125.8 . . ?
C34 C33 N6 125.9(4) . . ?
C34 C33 C32 125.2(4) . . ?
N6 C33 C32 108.7(3) . . ?
C35 C34 C33 120.2(4) . . ?
C35 C34 C63 119.9(3) . . ?
C33 C34 C63 119.9(4) . . ?
N4 C35 C34 120.0(3) . . ?
N4 C35 C36 108.2(4) . . ?
C34 C35 C36 131.8(4) . . ?
C37 C36 C35 108.4(4) . . ?
C37 C36 H15 125.8 . . ?
C35 C36 H15 125.8 . . ?
C36 C37 C38 107.0(4) . . ?
C36 C37 H16 126.5 . . ?
C38 C37 H16 126.5 . . ?
N4 C38 C20 111.1(3) . . ?
N4 C38 C37 109.1(4) . . ?
C20 C38 C37 139.7(4) . . ?
C44 C39 C40 118.6(4) . . ?
C44 C39 C10 120.8(4) . . ?
C40 C39 C10 120.6(4) . . ?
C39 C40 C41 121.2(4) . . ?
C39 C40 H17 119.4 . . ?
C41 C40 H17 119.4 . . ?
C42 C41 C40 120.0(4) . . ?
C42 C41 H18 120.0 . . ?
C40 C41 H18 120.0 . . ?
C43 C42 C41 119.1(4) . . ?
C43 C42 H19 120.4 . . ?
C41 C42 H19 120.4 . . ?
C42 C43 C44 121.4(4) . . ?
C42 C43 H20 119.3 . . ?
C44 C43 H20 119.3 . . ?
C39 C44 C43 119.7(4) . . ?
C39 C44 H21 120.1 . . ?
C43 C44 H21 120.1 . . ?
C50 C45 C46 116.7(4) . . ?
C50 C45 C15 122.6(4) . . ?
C46 C45 C15 120.6(4) . . ?
F3 C46 C47 118.8(4) . . ?
F3 C46 C45 119.4(4) . . ?
C47 C46 C45 121.7(4) . . ?
F6 C47 C48 120.1(4) . . ?
F6 C47 C46 120.0(5) . . ?
C48 C47 C46 119.9(4) . . ?
F7 C48 C49 120.4(5) . . ?
F7 C48 C47 119.7(5) . . ?
C49 C48 C47 119.9(4) . . ?
F10 C49 C48 119.8(4) . . ?
F10 C49 C50 120.7(5) . . ?
C48 C49 C50 119.6(5) . . ?
F4 C50 C49 117.9(4) . . ?
F4 C50 C45 119.8(4) . . ?
C49 C50 C45 122.3(4) . . ?
C52 C51 C56 116.0(4) . . ?
C52 C51 C5 120.7(4) . . ?
C56 C51 C5 123.2(4) . . ?
F5 C52 C53 117.0(5) . . ?
F5 C52 C51 120.0(4) . . ?
C53 C52 C51 123.0(5) . . ?
F14 C53 C54 120.3(5) . . ?
F14 C53 C52 119.9(6) . . ?
C54 C53 C52 119.8(6) . . ?
C53 C54 F19 120.7(7) . . ?
C53 C54 C55 120.6(5) . . ?
F19 C54 C55 118.7(7) . . ?
F18 C55 C54 121.9(6) . . ?
F18 C55 C56 119.4(6) . . ?
C54 C55 C56 118.7(5) . . ?
F12 C56 C51 120.4(4) . . ?
F12 C56 C55 117.8(5) . . ?
C51 C56 C55 121.8(5) . . ?
C62 C57 C58 117.8(4) . . ?
C62 C57 C29 121.4(4) . . ?
C58 C57 C29 120.8(4) . . ?
C57 C58 C59 121.1(5) . . ?
C57 C58 H22 119.5 . . ?
C59 C58 H22 119.5 . . ?
C60 C59 C58 120.0(5) . . ?
C60 C59 H23 120.0 . . ?
C58 C59 H23 120.0 . . ?
C59 C60 C61 119.9(4) . . ?
C59 C60 H24 120.1 . . ?
C61 C60 H24 120.1 . . ?
C60 C61 C62 119.8(5) . . ?
C60 C61 H25 120.1 . . ?
C62 C61 H25 120.1 . . ?
C61 C62 C57 121.5(4) . . ?
C61 C62 H26 119.2 . . ?
C57 C62 H26 119.2 . . ?
C68 C63 C64 115.6(4) . . ?
C68 C63 C34 122.4(4) . . ?
C64 C63 C34 122.0(4) . . ?
F9 C64 C65 118.0(4) . . ?
F9 C64 C63 119.3(4) . . ?
C65 C64 C63 122.8(4) . . ?
F16 C65 C64 120.4(5) . . ?
F16 C65 C66 119.9(4) . . ?
C64 C65 C66 119.7(4) . . ?
F11 C66 C67 119.9(5) . . ?
F11 C66 C65 120.3(4) . . ?
C67 C66 C65 119.8(4) . . ?
F2 C67 C66 120.6(4) . . ?
F2 C67 C68 120.1(4) . . ?
C66 C67 C68 119.3(4) . . ?
F1 C68 C67 117.0(4) . . ?
F1 C68 C63 120.1(4) . . ?
C67 C68 C63 122.9(4) . . ?
C70 C69 C74 115.4(5) . . ?
C70 C69 C24 124.5(4) . . ?
C74 C69 C24 119.9(4) . . ?
F8 C70 C69 119.1(4) . . ?
F8 C70 C71 117.5(5) . . ?
C69 C70 C71 123.3(5) . . ?
F13 C71 C70 119.9(5) . . ?
F13 C71 C72 121.4(5) . . ?
C70 C71 C72 118.7(5) . . ?
F17 C72 C73 121.4(6) . . ?
F17 C72 C71 118.4(6) . . ?
C73 C72 C71 120.2(5) . . ?
F20 C73 C72 119.7(6) . . ?
F20 C73 C74 119.9(6) . . ?
C72 C73 C74 120.3(6) . . ?
F15 C74 C73 118.7(5) . . ?
F15 C74 C69 119.3(5) . . ?
C73 C74 C69 122.0(6) . . ?
Si3 C75 H27 109.5 . . ?
Si3 C75 H28 109.5 . . ?
H27 C75 H28 109.5 . . ?
Si3 C75 H29 109.5 . . ?
H27 C75 H29 109.5 . . ?
H28 C75 H29 109.5 . . ?
Si3 C76 H30 109.5 . . ?
Si3 C76 H31 109.5 . . ?
H30 C76 H31 109.5 . . ?
Si3 C76 H32 109.5 . . ?
H30 C76 H32 109.5 . . ?
H31 C76 H32 109.5 . . ?
Si3 C77 H33 109.5 . . ?
Si3 C77 H34 109.5 . . ?
H33 C77 H34 109.5 . . ?
Si3 C77 H35 109.5 . . ?
H33 C77 H35 109.5 . . ?
H34 C77 H35 109.5 . . ?
C81 C80 C80 114.6(6) . 2_565 ?
C81 C80 H57 108.6 . . ?
C80 C80 H57 108.6 2_565 . ?
C81 C80 H58 108.6 . . ?
C80 C80 H58 108.6 2_565 . ?
H57 C80 H58 107.6 . . ?
C82 C81 C80 112.8(5) . . ?
C82 C81 H59 109.0 . . ?
C80 C81 H59 109.0 . . ?
C82 C81 H60 109.0 . . ?
C80 C81 H60 109.0 . . ?
H59 C81 H60 107.8 . . ?
C81 C82 H36 109.5 . . ?
C81 C82 H37 109.5 . . ?
H36 C82 H37 109.5 . . ?
C81 C82 H38 109.5 . . ?
H36 C82 H38 109.5 . . ?
H37 C82 H38 109.5 . . ?
Cl2 C87 Cl1 114.5(19) . . ?
Cl2 C87 H61 108.6 . . ?
Cl1 C87 H61 108.6 . . ?
Cl2 C87 H62 108.6 . . ?
Cl1 C87 H62 108.6 . . ?
H61 C87 H62 107.6 . . ?
O2 Si4 C78 112.7(7) . . ?
O2 Si4 C79 106.9(4) . . ?
C78 Si4 C79 101.7(8) . . ?
O2 Si4 C86 109.1(4) . . ?
C78 Si4 C86 117.7(9) . . ?
C79 Si4 C86 107.9(7) . . ?
Si4 C78 H39 109.5 . . ?
Si4 C78 H40 109.5 . . ?
H39 C78 H40 109.5 . . ?
Si4 C78 H41 109.5 . . ?
H39 C78 H41 109.5 . . ?
H40 C78 H41 109.5 . . ?
Si4 C79 H42 109.5 . . ?
Si4 C79 H43 109.5 . . ?
H42 C79 H43 109.5 . . ?
Si4 C79 H44 109.5 . . ?
H42 C79 H44 109.5 . . ?
H43 C79 H44 109.5 . . ?
Si4 C86 H45 109.5 . . ?
Si4 C86 H46 109.5 . . ?
H45 C86 H46 109.5 . . ?
Si4 C86 H47 109.5 . . ?
H45 C86 H47 109.5 . . ?
H46 C86 H47 109.5 . . ?
O2 Si5 C88 108.4(10) . . ?
O2 Si5 C89 109.3(14) . . ?
C88 Si5 C89 109.3(18) . . ?
O2 Si5 C90 104.8(11) . . ?
C88 Si5 C90 120.8(14) . . ?
C89 Si5 C90 103.7(17) . . ?
Si5 C88 H48 109.5 . . ?
Si5 C88 H49 109.5 . . ?
H48 C88 H49 109.5 . . ?
Si5 C88 H50 109.5 . . ?
H48 C88 H50 109.5 . . ?
H49 C88 H50 109.5 . . ?
Si5 C89 H51 109.5 . . ?
Si5 C89 H52 109.5 . . ?
H51 C89 H52 109.5 . . ?
Si5 C89 H53 109.5 . . ?
H51 C89 H53 109.5 . . ?
H52 C89 H53 109.5 . . ?
Si5 C90 H54 109.5 . . ?
Si5 C90 H55 109.5 . . ?
H54 C90 H55 109.5 . . ?
Si5 C90 H56 109.5 . . ?
H54 C90 H56 109.5 . . ?
H55 C90 H56 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
N2 Si1 O1 Si3 -145.8(4) . . . . ?
N5 Si1 O1 Si3 131.5(4) . . . . ?
N3 Si1 O1 Si3 -55.3(5) . . . . ?
N1 Si1 O1 Si3 40.9(5) . . . . ?
C77 Si3 O1 Si1 -99.4(5) . . . . ?
C75 Si3 O1 Si1 20.5(5) . . . . ?
C76 Si3 O1 Si1 140.4(5) . . . . ?
N6 Si2 O2 Si4 121.3(5) . . . . ?
N4 Si2 O2 Si4 30.6(5) . . . . ?
N7 Si2 O2 Si4 -143.2(5) . . . . ?
N8 Si2 O2 Si4 -52.7(5) . . . . ?
N6 Si2 O2 Si5 160.9(13) . . . . ?
N4 Si2 O2 Si5 70.2(13) . . . . ?
N7 Si2 O2 Si5 -103.6(13) . . . . ?
N8 Si2 O2 Si5 -13.1(13) . . . . ?
N5 C1 C19 N2 0.1(5) . . . . ?
C2 C1 C19 N2 176.9(5) . . . . ?
N5 C1 C19 C18 -177.8(5) . . . . ?
C2 C1 C19 C18 -1.0(9) . . . . ?
O1 Si1 N1 C9 -85.9(3) . . . . ?
N2 Si1 N1 C9 108.6(4) . . . . ?
N5 Si1 N1 C9 172.0(3) . . . . ?
N3 Si1 N1 C9 18.5(3) . . . . ?
O1 Si1 N1 C6 74.4(3) . . . . ?
N2 Si1 N1 C6 -91.1(4) . . . . ?
N5 Si1 N1 C6 -27.8(3) . . . . ?
N3 Si1 N1 C6 178.8(3) . . . . ?
C1 C19 N2 C16 -178.4(3) . . . . ?
C18 C19 N2 C16 0.1(4) . . . . ?
C1 C19 N2 Si1 -10.8(4) . . . . ?
C18 C19 N2 Si1 167.8(3) . . . . ?
O1 Si1 N2 C16 75.9(4) . . . . ?
N5 Si1 N2 C16 176.6(4) . . . . ?
N3 Si1 N2 C16 -27.2(4) . . . . ?
N1 Si1 N2 C16 -118.5(4) . . . . ?
O1 Si1 N2 C19 -87.6(3) . . . . ?
N5 Si1 N2 C19 13.1(3) . . . . ?
N3 Si1 N2 C19 169.3(3) . . . . ?
N1 Si1 N2 C19 78.0(4) . . . . ?
O1 Si1 N3 C11 87.2(3) . . . . ?
N2 Si1 N3 C11 -170.8(3) . . . . ?
N5 Si1 N3 C11 -107.9(4) . . . . ?
N1 Si1 N3 C11 -17.8(3) . . . . ?
O1 Si1 N3 C14 -79.3(3) . . . . ?
N2 Si1 N3 C14 22.7(3) . . . . ?
N5 Si1 N3 C14 85.6(5) . . . . ?
N1 Si1 N3 C14 175.7(3) . . . . ?
O2 Si2 N4 C35 74.7(4) . . . . ?
N6 Si2 N4 C35 -27.2(4) . . . . ?
N7 Si2 N4 C35 -118.2(4) . . . . ?
N8 Si2 N4 C35 175.9(4) . . . . ?
O2 Si2 N4 C38 -90.1(3) . . . . ?
N6 Si2 N4 C38 168.1(3) . . . . ?
N7 Si2 N4 C38 77.0(5) . . . . ?
N8 Si2 N4 C38 11.1(3) . . . . ?
C19 C1 N5 C4 176.8(3) . . . . ?
C2 C1 N5 C4 -1.0(4) . . . . ?
C19 C1 N5 Si1 10.6(4) . . . . ?
C2 C1 N5 Si1 -167.1(3) . . . . ?
O1 Si1 N5 C4 -74.5(4) . . . . ?
N2 Si1 N5 C4 -175.0(4) . . . . ?
N3 Si1 N5 C4 120.6(4) . . . . ?
N1 Si1 N5 C4 29.2(4) . . . . ?
O1 Si1 N5 C1 87.4(3) . . . . ?
N2 Si1 N5 C1 -13.2(3) . . . . ?
N3 Si1 N5 C1 -77.6(4) . . . . ?
N1 Si1 N5 C1 -168.9(3) . . . . ?
O2 Si2 N6 C30 84.1(3) . . . . ?
N4 Si2 N6 C30 -171.1(3) . . . . ?
N7 Si2 N6 C30 -19.2(3) . . . . ?
N8 Si2 N6 C30 -109.4(4) . . . . ?
O2 Si2 N6 C33 -78.8(3) . . . . ?
N4 Si2 N6 C33 26.0(3) . . . . ?
N7 Si2 N6 C33 177.9(3) . . . . ?
N8 Si2 N6 C33 87.7(5) . . . . ?
O2 Si2 N7 C25 80.9(3) . . . . ?
N6 Si2 N7 C25 -176.1(3) . . . . ?
N4 Si2 N7 C25 -86.4(5) . . . . ?
N8 Si2 N7 C25 -22.1(3) . . . . ?
O2 Si2 N7 C28 -87.0(3) . . . . ?
N6 Si2 N7 C28 16.0(3) . . . . ?
N4 Si2 N7 C28 105.7(4) . . . . ?
N8 Si2 N7 C28 170.0(3) . . . . ?
O2 Si2 N8 C23 -76.1(4) . . . . ?
N6 Si2 N8 C23 117.5(4) . . . . ?
N4 Si2 N8 C23 -179.3(4) . . . . ?
N7 Si2 N8 C23 26.2(4) . . . . ?
O2 Si2 N8 C20 91.8(3) . . . . ?
N6 Si2 N8 C20 -74.7(5) . . . . ?
N4 Si2 N8 C20 -11.5(3) . . . . ?
N7 Si2 N8 C20 -166.0(3) . . . . ?
C6 N1 C9 C10 -177.5(4) . . . . ?
Si1 N1 C9 C10 -14.1(5) . . . . ?
C6 N1 C9 C8 0.5(4) . . . . ?
Si1 N1 C9 C8 164.0(3) . . . . ?
C14 N3 C11 C10 -179.0(4) . . . . ?
Si1 N3 C11 C10 12.1(5) . . . . ?
C14 N3 C11 C12 0.3(4) . . . . ?
Si1 N3 C11 C12 -168.5(3) . . . . ?
C1 N5 C4 C5 178.6(4) . . . . ?
Si1 N5 C4 C5 -18.2(6) . . . . ?
C1 N5 C4 C3 0.8(4) . . . . ?
Si1 N5 C4 C3 164.0(3) . . . . ?
C9 N1 C6 C5 -176.8(4) . . . . ?
Si1 N1 C6 C5 19.7(6) . . . . ?
C9 N1 C6 C7 0.5(4) . . . . ?
Si1 N1 C6 C7 -163.1(3) . . . . ?
C11 N3 C14 C15 177.8(4) . . . . ?
Si1 N3 C14 C15 -13.2(6) . . . . ?
C11 N3 C14 C13 -0.9(4) . . . . ?
Si1 N3 C14 C13 168.0(3) . . . . ?
N3 C14 C15 C16 -4.9(6) . . . . ?
C13 C14 C15 C16 173.6(4) . . . . ?
N3 C14 C15 C45 179.7(4) . . . . ?
C13 C14 C15 C45 -1.8(6) . . . . ?
C19 N2 C16 C15 -177.2(4) . . . . ?
Si1 N2 C16 C15 18.2(6) . . . . ?
C19 N2 C16 C17 0.2(4) . . . . ?
Si1 N2 C16 C17 -164.4(3) . . . . ?
C14 C15 C16 N2 3.3(6) . . . . ?
C45 C15 C16 N2 178.9(4) . . . . ?
C14 C15 C16 C17 -173.3(4) . . . . ?
C45 C15 C16 C17 2.2(7) . . . . ?
C23 N8 C20 C38 -179.5(3) . . . . ?
Si2 N8 C20 C38 9.7(4) . . . . ?
C23 N8 C20 C21 1.1(5) . . . . ?
Si2 N8 C20 C21 -169.8(3) . . . . ?
N5 C1 C2 C3 0.8(5) . . . . ?
C19 C1 C2 C3 -176.0(5) . . . . ?
C1 C2 C3 C4 -0.3(5) . . . . ?
N5 C4 C3 C2 -0.3(5) . . . . ?
C5 C4 C3 C2 -177.8(4) . . . . ?
N5 C4 C5 C6 -3.4(6) . . . . ?
C3 C4 C5 C6 173.9(4) . . . . ?
N5 C4 C5 C51 175.0(4) . . . . ?
C3 C4 C5 C51 -7.8(7) . . . . ?
N1 C6 C5 C4 1.8(6) . . . . ?
C7 C6 C5 C4 -175.0(4) . . . . ?
N1 C6 C5 C51 -176.5(4) . . . . ?
C7 C6 C5 C51 6.7(6) . . . . ?
C5 C6 C7 C8 175.9(4) . . . . ?
N1 C6 C7 C8 -1.4(5) . . . . ?
C6 C7 C8 C9 1.7(5) . . . . ?
C10 C9 C8 C7 176.6(4) . . . . ?
N1 C9 C8 C7 -1.4(5) . . . . ?
N1 C9 C10 C11 1.8(6) . . . . ?
C8 C9 C10 C11 -175.9(4) . . . . ?
N1 C9 C10 C39 -178.7(4) . . . . ?
C8 C9 C10 C39 3.5(6) . . . . ?
N3 C11 C10 C9 -0.8(6) . . . . ?
C12 C11 C10 C9 180.0(4) . . . . ?
N3 C11 C10 C39 179.8(3) . . . . ?
C12 C11 C10 C39 0.5(6) . . . . ?
C10 C11 C12 C13 179.7(4) . . . . ?
N3 C11 C12 C13 0.4(5) . . . . ?
C11 C12 C13 C14 -1.0(5) . . . . ?
C15 C14 C13 C12 -177.5(4) . . . . ?
N3 C14 C13 C12 1.2(5) . . . . ?
N2 C16 C17 C18 -0.5(5) . . . . ?
C15 C16 C17 C18 176.4(4) . . . . ?
C16 C17 C18 C19 0.5(5) . . . . ?
N2 C19 C18 C17 -0.4(4) . . . . ?
C1 C19 C18 C17 177.5(5) . . . . ?
N8 C20 C21 C22 -0.2(5) . . . . ?
C38 C20 C21 C22 -179.4(5) . . . . ?
C20 C21 C22 C23 -0.7(5) . . . . ?
C20 N8 C23 C24 174.4(4) . . . . ?
Si2 N8 C23 C24 -16.8(6) . . . . ?
C20 N8 C23 C22 -1.5(5) . . . . ?
Si2 N8 C23 C22 167.2(3) . . . . ?
C21 C22 C23 N8 1.4(5) . . . . ?
C21 C22 C23 C24 -173.9(4) . . . . ?
N8 C23 C24 C25 -4.3(6) . . . . ?
C22 C23 C24 C25 170.6(4) . . . . ?
N8 C23 C24 C69 176.4(4) . . . . ?
C22 C23 C24 C69 -8.7(7) . . . . ?
C28 N7 C25 C24 -177.5(4) . . . . ?
Si2 N7 C25 C24 12.6(6) . . . . ?
C28 N7 C25 C26 -0.6(4) . . . . ?
Si2 N7 C25 C26 -170.5(3) . . . . ?
C23 C24 C25 N7 5.7(7) . . . . ?
C69 C24 C25 N7 -175.0(4) . . . . ?
C23 C24 C25 C26 -170.8(4) . . . . ?
C69 C24 C25 C26 8.5(7) . . . . ?
N7 C25 C26 C27 -0.6(5) . . . . ?
C24 C25 C26 C27 176.3(4) . . . . ?
C25 C26 C27 C28 1.6(5) . . . . ?
C25 N7 C28 C29 -177.9(4) . . . . ?
Si2 N7 C28 C29 -8.0(6) . . . . ?
C25 N7 C28 C27 1.5(4) . . . . ?
Si2 N7 C28 C27 171.5(3) . . . . ?
C26 C27 C28 C29 177.5(4) . . . . ?
C26 C27 C28 N7 -2.0(5) . . . . ?
N7 C28 C29 C30 -3.2(6) . . . . ?
C27 C28 C29 C30 177.4(4) . . . . ?
N7 C28 C29 C57 175.2(4) . . . . ?
C27 C28 C29 C57 -4.2(6) . . . . ?
C28 C29 C30 N6 0.0(6) . . . . ?
C57 C29 C30 N6 -178.5(4) . . . . ?
C28 C29 C30 C31 -179.4(4) . . . . ?
C57 C29 C30 C31 2.2(6) . . . . ?
C33 N6 C30 C29 -179.7(4) . . . . ?
Si2 N6 C30 C29 14.6(6) . . . . ?
C33 N6 C30 C31 -0.2(4) . . . . ?
Si2 N6 C30 C31 -166.0(3) . . . . ?
C29 C30 C31 C32 179.9(4) . . . . ?
N6 C30 C31 C32 0.5(5) . . . . ?
C30 C31 C32 C33 -0.5(5) . . . . ?
C30 N6 C33 C34 175.8(4) . . . . ?
Si2 N6 C33 C34 -18.3(6) . . . . ?
C30 N6 C33 C32 -0.1(4) . . . . ?
Si2 N6 C33 C32 165.9(3) . . . . ?
C31 C32 C33 C34 -175.5(4) . . . . ?
C31 C32 C33 N6 0.3(5) . . . . ?
N6 C33 C34 C35 -2.5(6) . . . . ?
C32 C33 C34 C35 172.7(4) . . . . ?
N6 C33 C34 C63 -178.6(4) . . . . ?
C32 C33 C34 C63 -3.5(6) . . . . ?
C38 N4 C35 C34 -178.0(4) . . . . ?
Si2 N4 C35 C34 16.1(6) . . . . ?
C38 N4 C35 C36 -0.2(4) . . . . ?
Si2 N4 C35 C36 -166.1(3) . . . . ?
C33 C34 C35 N4 4.3(6) . . . . ?
C63 C34 C35 N4 -179.5(4) . . . . ?
C33 C34 C35 C36 -172.8(4) . . . . ?
C63 C34 C35 C36 3.3(7) . . . . ?
N4 C35 C36 C37 -0.4(5) . . . . ?
C34 C35 C36 C37 177.0(4) . . . . ?
C35 C36 C37 C38 0.9(5) . . . . ?
C35 N4 C38 C20 -177.3(3) . . . . ?
Si2 N4 C38 C20 -8.8(4) . . . . ?
C35 N4 C38 C37 0.8(4) . . . . ?
Si2 N4 C38 C37 169.2(3) . . . . ?
N8 C20 C38 N4 -0.5(5) . . . . ?
C21 C20 C38 N4 178.6(5) . . . . ?
N8 C20 C38 C37 -177.7(5) . . . . ?
C21 C20 C38 C37 1.5(10) . . . . ?
C36 C37 C38 N4 -1.0(5) . . . . ?
C36 C37 C38 C20 176.2(5) . . . . ?
C9 C10 C39 C44 -98.7(5) . . . . ?
C11 C10 C39 C44 80.8(5) . . . . ?
C9 C10 C39 C40 79.7(5) . . . . ?
C11 C10 C39 C40 -100.8(5) . . . . ?
C44 C39 C40 C41 0.0(7) . . . . ?
C10 C39 C40 C41 -178.4(4) . . . . ?
C39 C40 C41 C42 -0.2(8) . . . . ?
C40 C41 C42 C43 0.8(8) . . . . ?
C41 C42 C43 C44 -1.1(8) . . . . ?
C40 C39 C44 C43 -0.4(7) . . . . ?
C10 C39 C44 C43 178.1(5) . . . . ?
C42 C43 C44 C39 0.9(8) . . . . ?
C14 C15 C45 C50 78.9(5) . . . . ?
C16 C15 C45 C50 -96.6(5) . . . . ?
C14 C15 C45 C46 -104.9(5) . . . . ?
C16 C15 C45 C46 79.5(5) . . . . ?
C50 C45 C46 F3 178.2(3) . . . . ?
C15 C45 C46 F3 1.9(5) . . . . ?
C50 C45 C46 C47 -0.8(6) . . . . ?
C15 C45 C46 C47 -177.1(4) . . . . ?
F3 C46 C47 F6 0.5(6) . . . . ?
C45 C46 C47 F6 179.5(4) . . . . ?
F3 C46 C47 C48 -178.6(4) . . . . ?
C45 C46 C47 C48 0.4(6) . . . . ?
F6 C47 C48 F7 0.2(6) . . . . ?
C46 C47 C48 F7 179.3(4) . . . . ?
F6 C47 C48 C49 -178.5(4) . . . . ?
C46 C47 C48 C49 0.6(6) . . . . ?
F7 C48 C49 F10 0.5(6) . . . . ?
C47 C48 C49 F10 179.2(4) . . . . ?
F7 C48 C49 C50 -179.9(4) . . . . ?
C47 C48 C49 C50 -1.3(6) . . . . ?
F10 C49 C50 F4 0.1(6) . . . . ?
C48 C49 C50 F4 -179.4(4) . . . . ?
F10 C49 C50 C45 -179.5(4) . . . . ?
C48 C49 C50 C45 0.9(6) . . . . ?
C46 C45 C50 F4 -179.6(3) . . . . ?
C15 C45 C50 F4 -3.2(6) . . . . ?
C46 C45 C50 C49 0.1(6) . . . . ?
C15 C45 C50 C49 176.4(4) . . . . ?
C4 C5 C51 C52 -61.8(5) . . . . ?
C6 C5 C51 C52 116.5(5) . . . . ?
C4 C5 C51 C56 115.1(5) . . . . ?
C6 C5 C51 C56 -66.6(6) . . . . ?
C56 C51 C52 F5 179.1(4) . . . . ?
C5 C51 C52 F5 -3.8(6) . . . . ?
C56 C51 C52 C53 0.0(6) . . . . ?
C5 C51 C52 C53 177.1(4) . . . . ?
F5 C52 C53 F14 0.1(6) . . . . ?
C51 C52 C53 F14 179.2(4) . . . . ?
F5 C52 C53 C54 -179.6(4) . . . . ?
C51 C52 C53 C54 -0.5(7) . . . . ?
F14 C53 C54 F19 2.2(7) . . . . ?
C52 C53 C54 F19 -178.2(4) . . . . ?
F14 C53 C54 C55 -179.0(4) . . . . ?
C52 C53 C54 C55 0.7(8) . . . . ?
C53 C54 C55 F18 -179.1(4) . . . . ?
F19 C54 C55 F18 -0.3(8) . . . . ?
C53 C54 C55 C56 -0.3(8) . . . . ?
F19 C54 C55 C56 178.5(4) . . . . ?
C52 C51 C56 F12 180.0(4) . . . . ?
C5 C51 C56 F12 2.9(6) . . . . ?
C52 C51 C56 C55 0.4(6) . . . . ?
C5 C51 C56 C55 -176.7(4) . . . . ?
F18 C55 C56 F12 -1.0(7) . . . . ?
C54 C55 C56 F12 -179.8(4) . . . . ?
F18 C55 C56 C51 178.6(4) . . . . ?
C54 C55 C56 C51 -0.2(7) . . . . ?
C28 C29 C57 C62 121.4(5) . . . . ?
C30 C29 C57 C62 -60.2(6) . . . . ?
C28 C29 C57 C58 -58.7(6) . . . . ?
C30 C29 C57 C58 119.8(5) . . . . ?
C62 C57 C58 C59 -0.1(8) . . . . ?
C29 C57 C58 C59 180.0(5) . . . . ?
C57 C58 C59 C60 0.2(9) . . . . ?
C58 C59 C60 C61 0.1(10) . . . . ?
C59 C60 C61 C62 -0.6(9) . . . . ?
C60 C61 C62 C57 0.7(8) . . . . ?
C58 C57 C62 C61 -0.4(8) . . . . ?
C29 C57 C62 C61 179.5(5) . . . . ?
C35 C34 C63 C68 -65.4(5) . . . . ?
C33 C34 C63 C68 110.8(5) . . . . ?
C35 C34 C63 C64 114.8(5) . . . . ?
C33 C34 C63 C64 -69.0(6) . . . . ?
C68 C63 C64 F9 179.9(4) . . . . ?
C34 C63 C64 F9 -0.3(6) . . . . ?
C68 C63 C64 C65 -0.1(7) . . . . ?
C34 C63 C64 C65 179.8(4) . . . . ?
F9 C64 C65 F16 -0.5(7) . . . . ?
C63 C64 C65 F16 179.4(4) . . . . ?
F9 C64 C65 C66 180.0(4) . . . . ?
C63 C64 C65 C66 -0.1(8) . . . . ?
F16 C65 C66 F11 0.9(8) . . . . ?
C64 C65 C66 F11 -179.6(4) . . . . ?
F16 C65 C66 C67 -179.5(4) . . . . ?
C64 C65 C66 C67 0.1(8) . . . . ?
F11 C66 C67 F2 0.7(7) . . . . ?
C65 C66 C67 F2 -178.9(4) . . . . ?
F11 C66 C67 C68 179.8(4) . . . . ?
C65 C66 C67 C68 0.1(7) . . . . ?
F2 C67 C68 F1 -0.6(6) . . . . ?
C66 C67 C68 F1 -179.7(4) . . . . ?
F2 C67 C68 C63 178.8(4) . . . . ?
C66 C67 C68 C63 -0.3(6) . . . . ?
C64 C63 C68 F1 179.6(4) . . . . ?
C34 C63 C68 F1 -0.2(6) . . . . ?
C64 C63 C68 C67 0.3(6) . . . . ?
C34 C63 C68 C67 -179.5(4) . . . . ?
C23 C24 C69 C70 74.2(6) . . . . ?
C25 C24 C69 C70 -105.1(5) . . . . ?
C23 C24 C69 C74 -102.1(5) . . . . ?
C25 C24 C69 C74 78.6(6) . . . . ?
C74 C69 C70 F8 178.8(4) . . . . ?
C24 C69 C70 F8 2.3(7) . . . . ?
C74 C69 C70 C71 -0.6(7) . . . . ?
C24 C69 C70 C71 -177.0(4) . . . . ?
F8 C70 C71 F13 0.9(6) . . . . ?
C69 C70 C71 F13 -179.7(4) . . . . ?
F8 C70 C71 C72 -177.2(4) . . . . ?
C69 C70 C71 C72 2.2(7) . . . . ?
F13 C71 C72 F17 -0.2(7) . . . . ?
C70 C71 C72 F17 177.9(4) . . . . ?
F13 C71 C72 C73 179.7(5) . . . . ?
C70 C71 C72 C73 -2.2(8) . . . . ?
F17 C72 C73 F20 -1.6(8) . . . . ?
C71 C72 C73 F20 178.5(5) . . . . ?
F17 C72 C73 C74 -179.4(5) . . . . ?
C71 C72 C73 C74 0.7(9) . . . . ?
F20 C73 C74 F15 2.3(8) . . . . ?
C72 C73 C74 F15 -179.9(5) . . . . ?
F20 C73 C74 C69 -176.8(5) . . . . ?
C72 C73 C74 C69 0.9(8) . . . . ?
C70 C69 C74 F15 179.9(4) . . . . ?
C24 C69 C74 F15 -3.5(7) . . . . ?
C70 C69 C74 C73 -1.0(7) . . . . ?
C24 C69 C74 C73 175.7(5) . . . . ?
C80 C80 C81 C82 -179.9(5) 2_565 . . . ?
Si2 O2 Si4 C78 31.8(10) . . . . ?
Si2 O2 Si4 C79 142.7(6) . . . . ?
Si2 O2 Si4 C86 -100.9(7) . . . . ?
Si2 O2 Si5 C88 -178.7(9) . . . . ?
Si2 O2 Si5 C89 62(2) . . . . ?
Si2 O2 Si5 C90 -48(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C3 H2 F8 0.95 2.42 3.275(5) 149.1 2_666
C8 H4 F14 0.95 2.46 3.041(5) 119.2 2_667
C18 H8 F1 0.95 2.49 3.057(4) 118.2 2_666
C22 H10 F10 0.95 2.58 3.521(5) 173.1 2_756
C26 H11 F12 0.95 2.60 3.136(5) 116.4 2_666
C37 H16 O1 0.95 2.48 3.420(5) 170.5 .

_refine_diff_density_max         1.751
_refine_diff_density_min         -0.787
_refine_diff_density_rms         0.078

####################################################################### 
# 
# 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_210524yamagata
_database_code_depnum_ccdc_archive 'CCDC 2165326'
loop_
_audit_author_name
_audit_author_address
'kyo yamagata'
;Kyoto University
Japan
;
_audit_update_record             
;
2022-04-08 deposited with the CCDC.	2022-06-28 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         '6(C40 H20 F10 N4 O4 Si), 3.5(C6 H14), 4(H2 O)'
_chemical_formula_sum            'C261 H177 F60 N24 O28 Si6'
_chemical_formula_weight         5405.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   68.084(4)
_cell_length_b                   17.3582(4)
_cell_length_c                   50.3185(19)
_cell_angle_alpha                90
_cell_angle_beta                 120.753(4)
_cell_angle_gamma                90
_cell_volume                     51105(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    1886
_cell_measurement_theta_min      28.3
_cell_measurement_theta_max      68.8

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_F_000             22072
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    1.314
_shelx_estimated_absorpt_T_min   0.858
_shelx_estimated_absorpt_T_max   0.987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.83245
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            172585
_diffrn_reflns_av_unetI/netI     0.1508
_diffrn_reflns_av_R_equivalents  0.1699
_diffrn_reflns_limit_h_min       -76
_diffrn_reflns_limit_h_max       80
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_theta_min         2.643
_diffrn_reflns_theta_max         66.000
_diffrn_reflns_theta_full        66.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             44291
_reflns_number_gt                23084
_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)+(0.1700P)²+42.3586P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         44291
_refine_ls_number_parameters     3716
_refine_ls_number_restraints     840
_refine_ls_R_factor_all          0.1704
_refine_ls_R_factor_gt           0.1020
_refine_ls_wR_factor_ref         0.3301
_refine_ls_wR_factor_gt          0.2672
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.37036(13) 0.3451(4) 0.34710(16) 0.0567(17) Uani 1 1 d . . . . .
C2 C 0.34910(13) 0.3090(4) 0.33635(17) 0.0619(18) Uani 1 1 d . . . . .
H1 H 0.3459 0.2556 0.3323 0.074 Uiso 1 1 calc R U . . .
C3 C 0.33402(14) 0.3647(4) 0.33287(16) 0.0583(17) Uani 1 1 d . . . . .
H2 H 0.3183 0.3570 0.3257 0.070 Uiso 1 1 calc R U . . .
C4 C 0.34554(12) 0.4355(4) 0.34165(14) 0.0518(16) Uani 1 1 d . . . . .
C5 C 0.33905(12) 0.5089(4) 0.34459(15) 0.0520(15) Uani 1 1 d . . . . .
C6 C 0.35489(13) 0.5687(4) 0.35685(15) 0.0536(16) Uani 1 1 d . . . . .
C7 C 0.35033(13) 0.6440(4) 0.36319(16) 0.0563(17) Uani 1 1 d . . . . .
H3 H 0.3359 0.6628 0.3589 0.068 Uiso 1 1 calc R U . . .
C8 C 0.37011(13) 0.6847(4) 0.37648(15) 0.0550(17) Uani 1 1 d . . . . .
H4 H 0.3719 0.7368 0.3832 0.066 Uiso 1 1 calc R U . . .
C9 C 0.38755(12) 0.6363(3) 0.37863(14) 0.0482(15) Uani 1 1 d . . . . .
C10 C 0.40998(13) 0.6563(3) 0.39003(14) 0.0507(16) Uani 1 1 d . . . . .
C11 C 0.42510(12) 0.6065(3) 0.38862(13) 0.0501(15) Uani 1 1 d . . . . .
C12 C 0.44841(12) 0.6228(4) 0.39873(14) 0.0535(16) Uani 1 1 d . . . . .
H5 H 0.4562 0.6698 0.4075 0.064 Uiso 1 1 calc R U . . .
C13 C 0.45741(12) 0.5588(4) 0.39353(15) 0.0533(16) Uani 1 1 d . . . . .
H6 H 0.4726 0.5536 0.3978 0.064 Uiso 1 1 calc R U . . .
C14 C 0.44038(11) 0.5008(4) 0.38077(14) 0.0484(15) Uani 1 1 d . . . . .
C15 C 0.44341(12) 0.4253(4) 0.37496(14) 0.0514(16) Uani 1 1 d . . . . .
C16 C 0.42655(12) 0.3708(3) 0.36645(13) 0.0480(15) Uani 1 1 d . . . . .
C17 C 0.42618(13) 0.2903(4) 0.36108(15) 0.0559(17) Uani 1 1 d . . . . .
H7 H 0.4384 0.2603 0.3627 0.067 Uiso 1 1 calc R U . . .
C18 C 0.40483(13) 0.2641(4) 0.35311(16) 0.0577(17) Uani 1 1 d . . . . .
H8 H 0.3994 0.2127 0.3478 0.069 Uiso 1 1 calc R U . . .
C19 C 0.39231(12) 0.3282(3) 0.35423(14) 0.0523(16) Uani 1 1 d . . . . .
N1 N 0.36822(10) 0.4229(3) 0.35047(12) 0.0506(13) Uani 1 1 d . . . . .
N2 N 0.37837(9) 0.5638(3) 0.36650(11) 0.0481(12) Uani 1 1 d . . . . .
N3 N 0.42007(9) 0.5318(3) 0.37760(11) 0.0476(12) Uani 1 1 d . . . . .
N4 N 0.40577(10) 0.3930(3) 0.36216(11) 0.0495(13) Uani 1 1 d . . . . .
Si1 Si 0.39145(3) 0.48691(9) 0.35552(4) 0.0477(4) Uani 1 1 d . . . . .
O1 O 0.38405(8) 0.5083(2) 0.32024(9) 0.0505(10) Uani 1 1 d . . . . .
H115 H 0.3700 0.5009 0.3086 0.076 Uiso 1 1 calc R U . . .
F5 F 0.30553(9) 0.5723(4) 0.28756(12) 0.1059(19) Uani 1 1 d . . . . .
C20 C 0.31502(13) 0.5222(4) 0.33603(17) 0.0618(18) Uani 1 1 d . . . . .
C21 C 0.30737(16) 0.5070(6) 0.3556(2) 0.091(3) Uani 1 1 d . . . . .
C22 C 0.2848(2) 0.5142(9) 0.3469(3) 0.137(6) Uani 1 1 d . . . . .
C23 C 0.2697(2) 0.5386(10) 0.3186(3) 0.147(6) Uani 1 1 d . . . . .
C24 C 0.2767(2) 0.5612(9) 0.2988(3) 0.136(6) Uani 1 1 d . . . . .
C25 C 0.29938(16) 0.5529(6) 0.3083(2) 0.086(3) Uani 1 1 d . . . . .
F1 F 0.32222(11) 0.4817(5) 0.38426(14) 0.136(3) Uani 1 1 d . . . . .
F2 F 0.27822(14) 0.4969(7) 0.3673(2) 0.226(6) Uani 1 1 d . . . . .
F3 F 0.24774(13) 0.5503(8) 0.3104(2) 0.243(7) Uani 1 1 d . . . . .
F4 F 0.26226(12) 0.5971(6) 0.27214(17) 0.173(4) Uani 1 1 d . . . . .
C26 C 0.46634(12) 0.4025(4) 0.37956(15) 0.0541(16) Uani 1 1 d . . . . .
C27 C 0.48177(14) 0.3620(4) 0.40576(15) 0.0632(19) Uani 1 1 d . . . . .
C28 C 0.50297(14) 0.3419(5) 0.41097(17) 0.072(2) Uani 1 1 d . . . . .
F6 F 0.47648(8) 0.3446(3) 0.42756(9) 0.0763(12) Uani 1 1 d . . . . .
F7 F 0.51780(9) 0.3041(3) 0.43736(11) 0.0977(17) Uani 1 1 d . . . . .
F8 F 0.52954(9) 0.3396(3) 0.39475(12) 0.0965(16) Uani 1 1 d . . . . .
F9 F 0.50009(8) 0.4193(3) 0.34318(11) 0.0815(13) Uani 1 1 d . . . . .
F10 F 0.45880(7) 0.4584(3) 0.33302(9) 0.0716(11) Uani 1 1 d . . . . .
C29 C 0.50875(14) 0.3602(5) 0.38985(18) 0.075(2) Uani 1 1 d . . . . .
C30 C 0.49438(14) 0.4004(5) 0.36399(16) 0.0655(19) Uani 1 1 d . . . . .
C31 C 0.47267(12) 0.4196(4) 0.35867(15) 0.0578(17) Uani 1 1 d . . . . .
C32 C 0.41825(11) 0.7340(3) 0.40439(14) 0.0481(14) Uani 1 1 d . . . . .
C33 C 0.42911(12) 0.7443(4) 0.43605(14) 0.0507(15) Uani 1 1 d . . . . .
C34 C 0.43605(12) 0.8167(4) 0.44995(15) 0.0540(16) Uani 1 1 d . . . . .
H9 H 0.4433 0.8226 0.4717 0.065 Uiso 1 1 calc R U . . .
C35 C 0.43196(13) 0.8795(4) 0.43087(16) 0.0540(16) Uani 1 1 d . . . . .
C36 C 0.42207(12) 0.8718(4) 0.39926(15) 0.0523(16) Uani 1 1 d . . . . .
H10 H 0.4201 0.9156 0.3868 0.063 Uiso 1 1 calc R U . . .
C37 C 0.41505(11) 0.7992(4) 0.38588(14) 0.0487(15) Uani 1 1 d . . . . .
O2 O 0.43263(9) 0.6780(2) 0.45292(10) 0.0580(12) Uani 1 1 d . . . . .
O3 O 0.43707(10) 0.9530(3) 0.44169(11) 0.0688(14) Uani 1 1 d . . . . .
O4 O 0.40521(8) 0.7853(2) 0.35527(10) 0.0565(11) Uani 1 1 d . . . . .
C38 C 0.44506(16) 0.6848(5) 0.48621(15) 0.072(2) Uani 1 1 d . . . . .
H61 H 0.4464 0.6339 0.4954 0.108 Uiso 1 1 calc R U . . .
H62 H 0.4604 0.7054 0.4933 0.108 Uiso 1 1 calc R U . . .
H63 H 0.4369 0.7196 0.4925 0.108 Uiso 1 1 calc R U . . .
C39 C 0.4443(2) 0.9660(5) 0.4733(2) 0.093(3) Uani 1 1 d . . . . .
H64 H 0.4474 1.0209 0.4781 0.140 Uiso 1 1 calc R U . . .
H65 H 0.4322 0.9496 0.4772 0.140 Uiso 1 1 calc R U . . .
H66 H 0.4582 0.9363 0.4865 0.140 Uiso 1 1 calc R U . . .
C40 C 0.40454(16) 0.8473(4) 0.33571(17) 0.074(2) Uani 1 1 d . . . . .
H67 H 0.3970 0.8295 0.3142 0.110 Uiso 1 1 calc R U . . .
H68 H 0.3960 0.8908 0.3373 0.110 Uiso 1 1 calc R U . . .
H69 H 0.4202 0.8636 0.3423 0.110 Uiso 1 1 calc R U . . .
C41 C 0.39601(11) 0.1868(3) 0.00399(14) 0.0446(14) Uani 1 1 d . . . . .
C42 C 0.40949(12) 0.2487(4) 0.02260(15) 0.0518(16) Uani 1 1 d . . . . .
H11 H 0.4051 0.3013 0.0205 0.062 Uiso 1 1 calc R U . . .
C43 C 0.43013(12) 0.2179(3) 0.04427(15) 0.0497(15) Uani 1 1 d . . . . .
H12 H 0.4427 0.2459 0.0601 0.060 Uiso 1 1 calc R U . . .
C44 C 0.42966(11) 0.1383(3) 0.03915(13) 0.0456(14) Uani 1 1 d . . . . .
C45 C 0.44585(11) 0.0810(3) 0.05318(14) 0.0483(15) Uani 1 1 d . . . . .
C46 C 0.44169(11) 0.0071(3) 0.04158(13) 0.0472(14) Uani 1 1 d . . . . .
C47 C 0.45782(12) -0.0540(4) 0.05189(15) 0.0530(16) Uani 1 1 d . . . . .
H13 H 0.4731 -0.0515 0.0688 0.064 Uiso 1 1 calc R U . . .
C48 C 0.44811(12) -0.1160(4) 0.03395(15) 0.0523(15) Uani 1 1 d . . . . .
H14 H 0.4553 -0.1641 0.0356 0.063 Uiso 1 1 calc R U . . .
C49 C 0.42519(12) -0.0967(3) 0.01216(14) 0.0494(15) Uani 1 1 d . . . . .
C50 C 0.40935(11) -0.1449(3) -0.01012(14) 0.0460(14) Uani 1 1 d . . . . .
C51 C 0.38685(11) -0.1214(3) -0.02946(13) 0.0449(14) Uani 1 1 d . . . . .
C52 C 0.36837(12) -0.1677(3) -0.05136(14) 0.0495(15) Uani 1 1 d . . . . .
H15 H 0.3693 -0.2206 -0.0554 0.059 Uiso 1 1 calc R U . . .
C53 C 0.34945(12) -0.1248(4) -0.06524(14) 0.0499(15) Uani 1 1 d . . . . .
H16 H 0.3347 -0.1417 -0.0809 0.060 Uiso 1 1 calc R U . . .
C54 C 0.35517(11) -0.0492(3) -0.05243(13) 0.0446(14) Uani 1 1 d . . . . .
C55 C 0.34044(11) 0.0136(3) -0.06212(14) 0.0461(14) Uani 1 1 d . . . . .
C56 C 0.34827(11) 0.0868(3) -0.04980(13) 0.0456(14) Uani 1 1 d . . . . .
C57 C 0.33773(12) 0.1598(3) -0.05711(14) 0.0482(15) Uani 1 1 d . . . . .
H17 H 0.3222 0.1701 -0.0720 0.058 Uiso 1 1 calc R U . . .
C58 C 0.35376(12) 0.2129(3) -0.03909(14) 0.0478(15) Uani 1 1 d . . . . .
H18 H 0.3516 0.2670 -0.0392 0.057 Uiso 1 1 calc R U . . .
C59 C 0.37422(11) 0.1723(3) -0.02023(14) 0.0461(14) Uani 1 1 d . . . . .
N5 N 0.40839(9) 0.1190(3) 0.01418(11) 0.0469(12) Uani 1 1 d . . . . .
N6 N 0.42099(9) -0.0209(3) 0.01677(11) 0.0448(11) Uani 1 1 d . . . . .
N7 N 0.37858(9) -0.0475(3) -0.02941(11) 0.0453(12) Uani 1 1 d . . . . .
N8 N 0.37072(9) 0.0956(3) -0.02720(11) 0.0441(11) Uani 1 1 d . . . . .
Si2 Si 0.39284(3) 0.02773(9) -0.00015(4) 0.0438(4) Uani 1 1 d . . . . .
O5 O 0.38427(7) 0.0067(2) 0.02395(9) 0.0464(10) Uani 1 1 d . . . . .
H116 H 0.3876 -0.0392 0.0298 0.070 Uiso 1 1 calc DR U . . .
C60 C 0.46891(12) 0.1011(4) 0.07936(15) 0.0528(16) Uani 1 1 d . . . . .
C61 C 0.48558(14) 0.1302(4) 0.07387(17) 0.066(2) Uani 1 1 d . . . . .
C62 C 0.50698(15) 0.1473(5) 0.09744(19) 0.074(2) Uani 1 1 d . . . . .
C63 C 0.51290(14) 0.1362(5) 0.12764(18) 0.075(2) Uani 1 1 d . . . . .
C64 C 0.49708(14) 0.1066(5) 0.13390(16) 0.069(2) Uani 1 1 d . . . . .
C65 C 0.47569(13) 0.0908(4) 0.10983(15) 0.0585(17) Uani 1 1 d . . . . .
F11 F 0.48070(8) 0.1411(3) 0.04496(9) 0.0807(13) Uani 1 1 d . . . . .
F12 F 0.52298(9) 0.1756(4) 0.09134(12) 0.1038(18) Uani 1 1 d . . . . .
F13 F 0.53418(8) 0.1520(4) 0.15083(11) 0.0982(16) Uani 1 1 d . . . . .
F14 F 0.50268(8) 0.0951(3) 0.16325(10) 0.0882(14) Uani 1 1 d . . . . .
F15 F 0.46042(8) 0.0617(3) 0.11677(9) 0.0786(13) Uani 1 1 d . . . . .
C66 C 0.31622(12) 0.0050(3) -0.08695(14) 0.0500(15) Uani 1 1 d . . . . .
C67 C 0.30766(13) 0.0384(4) -0.11525(16) 0.0558(16) Uani 1 1 d . . . . .
C68 C 0.28512(13) 0.0334(4) -0.13862(15) 0.0569(17) Uani 1 1 d . . . . .
C69 C 0.27067(12) -0.0104(4) -0.13361(16) 0.0542(16) Uani 1 1 d . . . . .
C70 C 0.27845(12) -0.0461(3) -0.10570(16) 0.0550(16) Uani 1 1 d . . . . .
C71 C 0.30054(12) -0.0383(3) -0.08268(15) 0.0532(16) Uani 1 1 d . . . . .
F16 F 0.32160(7) 0.0799(2) -0.12144(9) 0.0655(10) Uani 1 1 d . . . . .
F17 F 0.27757(8) 0.0683(3) -0.16569(9) 0.0760(12) Uani 1 1 d . . . . .
F18 F 0.24858(7) -0.0164(2) -0.15593(9) 0.0647(10) Uani 1 1 d . . . . .
F19 F 0.26385(7) -0.0890(2) -0.10116(10) 0.0669(10) Uani 1 1 d . . . . .
F20 F 0.30732(7) -0.0729(2) -0.05595(9) 0.0620(10) Uani 1 1 d . . . . .
C72 C 0.41615(11) -0.2239(3) -0.01418(14) 0.0490(15) Uani 1 1 d . . . . .
C73 C 0.41192(12) -0.2887(3) -0.00166(14) 0.0505(15) Uani 1 1 d . . . . .
C74 C 0.41742(12) -0.3619(3) -0.00601(14) 0.0526(16) Uani 1 1 d . . . . .
H19 H 0.4146 -0.4051 0.0032 0.063 Uiso 1 1 calc R U . . .
C75 C 0.42702(13) -0.3712(4) -0.02407(16) 0.0580(17) Uani 1 1 d . . . . .
C76 C 0.43226(13) -0.3094(4) -0.03659(16) 0.0588(17) Uani 1 1 d . . . . .
H20 H 0.4394 -0.3169 -0.0484 0.071 Uiso 1 1 calc R U . . .
C77 C 0.42674(12) -0.2353(4) -0.03138(15) 0.0524(15) Uani 1 1 d . . . . .
O6 O 0.40201(9) -0.2734(2) 0.01574(10) 0.0559(11) Uani 1 1 d . . . . .
C78 C 0.39933(15) -0.3358(4) 0.03186(17) 0.066(2) Uani 1 1 d . . . . .
H70 H 0.3921 -0.3173 0.0433 0.099 Uiso 1 1 calc R U . . .
H71 H 0.3897 -0.3754 0.0170 0.099 Uiso 1 1 calc R U . . .
H72 H 0.4143 -0.3577 0.0464 0.099 Uiso 1 1 calc R U . . .
O7 O 0.43097(10) -0.4460(3) -0.02884(11) 0.0674(13) Uani 1 1 d . . . . .
C79 C 0.43727(17) -0.4606(4) -0.05146(19) 0.080(2) Uani 1 1 d . . . . .
H73 H 0.4395 -0.5161 -0.0524 0.119 Uiso 1 1 calc R U . . .
H74 H 0.4251 -0.4425 -0.0717 0.119 Uiso 1 1 calc R U . . .
H75 H 0.4515 -0.4332 -0.0457 0.119 Uiso 1 1 calc R U . . .
O8 O 0.43152(10) -0.1707(2) -0.04214(11) 0.0647(13) Uani 1 1 d . . . . .
C80 C 0.44336(19) -0.1792(5) -0.0591(2) 0.088(3) Uani 1 1 d . . . . .
H76 H 0.4457 -0.1283 -0.0655 0.132 Uiso 1 1 calc R U . . .
H77 H 0.4582 -0.2038 -0.0459 0.132 Uiso 1 1 calc R U . . .
H78 H 0.4342 -0.2111 -0.0775 0.132 Uiso 1 1 calc R U . . .
C81 C 0.36645(12) -0.1538(3) 0.04131(14) 0.0477(15) Uani 1 1 d . . . . .
C82 C 0.35525(13) -0.1842(3) 0.01103(14) 0.0519(16) Uani 1 1 d . . . . .
H21 H 0.3624 -0.2052 0.0006 0.062 Uiso 1 1 calc R U . . .
C83 C 0.33254(12) -0.1780(3) -0.00044(14) 0.0479(15) Uani 1 1 d . . . . .
H22 H 0.3209 -0.1940 -0.0204 0.057 Uiso 1 1 calc R U . . .
C84 C 0.32879(12) -0.1431(3) 0.02262(13) 0.0491(15) Uani 1 1 d . . . . .
C85 C 0.30946(12) -0.1246(3) 0.02313(14) 0.0475(15) Uani 1 1 d . . . . .
C86 C 0.31086(12) -0.0944(3) 0.04966(14) 0.0494(16) Uani 1 1 d . . . . .
C87 C 0.29211(12) -0.0820(3) 0.05403(15) 0.0500(15) Uani 1 1 d . . . . .
H23 H 0.2764 -0.0881 0.0388 0.060 Uiso 1 1 calc R U . . .
C88 C 0.30050(13) -0.0599(3) 0.08345(15) 0.0528(16) Uani 1 1 d . . . . .
H24 H 0.2916 -0.0482 0.0925 0.063 Uiso 1 1 calc R U . . .
C89 C 0.32434(12) -0.0568(3) 0.09869(14) 0.0482(15) Uani 1 1 d . . . . .
C90 C 0.33937(13) -0.0376(3) 0.12907(14) 0.0517(16) Uani 1 1 d . . . . .
C91 C 0.36256(14) -0.0360(3) 0.14138(14) 0.0539(17) Uani 1 1 d . . . . .
C92 C 0.37964(15) -0.0142(4) 0.17220(15) 0.062(2) Uani 1 1 d . . . . .
H25 H 0.3769 -0.0001 0.1883 0.075 Uiso 1 1 calc R U . . .
C93 C 0.40002(15) -0.0168(4) 0.17450(16) 0.0643(19) Uani 1 1 d . . . . .
H26 H 0.4142 -0.0042 0.1924 0.077 Uiso 1 1 calc R U . . .
C94 C 0.39688(13) -0.0417(4) 0.14554(14) 0.0567(17) Uani 1 1 d . . . . .
C95 C 0.41429(13) -0.0554(4) 0.13955(15) 0.0598(18) Uani 1 1 d . . . . .
C96 C 0.40995(13) -0.0893(4) 0.11210(15) 0.0581(17) Uani 1 1 d . . . . .
C97 C 0.42429(13) -0.1140(4) 0.10137(16) 0.0608(18) Uani 1 1 d . . . . .
H27 H 0.4405 -0.1098 0.1122 0.073 Uiso 1 1 calc R U . . .
C98 C 0.41085(13) -0.1455(4) 0.07241(16) 0.0594(18) Uani 1 1 d . . . . .
H28 H 0.4160 -0.1672 0.0597 0.071 Uiso 1 1 calc R U . . .
C99 C 0.38797(13) -0.1391(3) 0.06532(15) 0.0541(16) Uani 1 1 d . . . . .
N9 N 0.35026(9) -0.1294(3) 0.04828(11) 0.0474(12) Uani 1 1 d . . . . .
N10 N 0.33104(9) -0.0785(3) 0.07739(11) 0.0460(12) Uani 1 1 d . . . . .
N11 N 0.37367(10) -0.0532(3) 0.12472(11) 0.0531(13) Uani 1 1 d . . . . .
N12 N 0.38767(9) -0.1041(3) 0.08982(11) 0.0498(13) Uani 1 1 d . . . . .
Si3 Si 0.35988(3) -0.06869(9) 0.08272(4) 0.0475(4) Uani 1 1 d . . . . .
O9 O 0.35836(8) 0.0179(2) 0.06942(9) 0.0502(10) Uani 1 1 d . . . . .
H117 H 0.3711 0.0301 0.0717 0.075 Uiso 1 1 calc DR U . . .
C100 C 0.28672(12) -0.1390(3) -0.00451(14) 0.0487(15) Uani 1 1 d . . . . .
C101 C 0.27334(12) -0.0825(3) -0.02472(14) 0.0518(16) Uani 1 1 d . . . . .
C102 C 0.25262(13) -0.0974(4) -0.05039(15) 0.0572(17) Uani 1 1 d . . . . .
C103 C 0.24436(12) -0.1714(4) -0.05697(15) 0.0580(17) Uani 1 1 d . . . . .
C104 C 0.25726(13) -0.2293(4) -0.03692(17) 0.0626(19) Uani 1 1 d . . . . .
C105 C 0.27753(12) -0.2134(4) -0.01161(14) 0.0546(17) Uani 1 1 d . . . . .
F21 F 0.28064(8) -0.0102(2) -0.01955(9) 0.0722(12) Uani 1 1 d . . . . .
F22 F 0.24007(8) -0.0404(2) -0.06955(9) 0.0725(12) Uani 1 1 d . . . . .
F23 F 0.22465(8) -0.1870(2) -0.08240(9) 0.0762(12) Uani 1 1 d . . . . .
F24 F 0.24906(9) -0.3021(2) -0.04291(12) 0.0968(17) Uani 1 1 d . . . . .
F25 F 0.28974(8) -0.2719(2) 0.00740(9) 0.0733(12) Uani 1 1 d . . . . .
C106 C 0.43850(15) -0.0376(5) 0.16305(17) 0.076(2) Uani 1 1 d . . . . .
C107 C 0.4545(2) -0.0914(7) 0.1791(3) 0.113(4) Uani 1 1 d . . . . .
C108 C 0.4777(2) -0.0775(10) 0.2006(3) 0.138(5) Uani 1 1 d . . . . .
C109 C 0.4840(2) -0.0001(9) 0.2050(2) 0.113(4) Uani 1 1 d . . . . .
C110 C 0.46896(18) 0.0551(7) 0.1896(2) 0.085(3) Uani 1 1 d . . . . .
C111 C 0.44701(14) 0.0369(5) 0.16925(17) 0.065(2) Uani 1 1 d . . . . .
F26 F 0.44804(13) -0.1687(4) 0.1741(2) 0.177(4) Uani 1 1 d . . . . .
F27 F 0.49191(15) -0.1350(6) 0.2148(2) 0.226(6) Uani 1 1 d . . . . .
F28 F 0.50641(11) 0.0128(6) 0.22601(16) 0.155(3) Uani 1 1 d . . . . .
F29 F 0.47651(10) 0.1270(4) 0.19495(15) 0.118(2) Uani 1 1 d . . . . .
F30 F 0.43308(9) 0.0948(3) 0.15370(13) 0.0884(14) Uani 1 1 d . . . . .
C112 C 0.32929(14) -0.0224(4) 0.14900(15) 0.0609(18) Uani 1 1 d . . . . .
C113 C 0.32009(14) -0.0836(4) 0.15775(17) 0.0645(19) Uani 1 1 d . . . . .
C114 C 0.30986(16) -0.0710(5) 0.17526(19) 0.077(2) Uani 1 1 d . . . . .
H29 H 0.3030 -0.1123 0.1800 0.092 Uiso 1 1 calc R U . . .
C115 C 0.30985(14) 0.0010(6) 0.18531(16) 0.073(2) Uani 1 1 d . . . . .
C116 C 0.31896(19) 0.0620(6) 0.1777(2) 0.096(3) Uani 1 1 d . . . . .
H30 H 0.3187 0.1124 0.1849 0.115 Uiso 1 1 calc R U . . .
C117 C 0.3284(2) 0.0495(5) 0.1597(2) 0.094(3) Uani 1 1 d . . . . .
O10 O 0.32152(13) -0.1537(3) 0.14706(15) 0.0913(19) Uani 1 1 d . . . . .
C118 C 0.3128(3) -0.2177(5) 0.1558(3) 0.131(5) Uani 1 1 d . . . . .
H79 H 0.3147 -0.2651 0.1468 0.196 Uiso 1 1 calc R U . . .
H80 H 0.3211 -0.2223 0.1784 0.196 Uiso 1 1 calc R U . . .
H81 H 0.2965 -0.2096 0.1482 0.196 Uiso 1 1 calc R U . . .
O11 O 0.29983(12) 0.0067(6) 0.20239(14) 0.108(2) Uani 1 1 d . . . . .
C119 C 0.3028(2) 0.0663(7) 0.2170(3) 0.110(4) Uani 1 1 d . . . . .
H82 H 0.2947 0.0631 0.2284 0.166 Uiso 1 1 calc R U . . .
H83 H 0.3192 0.0734 0.2316 0.166 Uiso 1 1 calc R U . . .
H84 H 0.2970 0.1100 0.2027 0.166 Uiso 1 1 calc R U . . .
O12 O 0.33659(18) 0.1068(4) 0.1498(2) 0.143(3) Uani 1 1 d . U . . .
C120 C 0.3412(4) 0.1777(8) 0.1665(5) 0.228(10) Uani 1 1 d . U . . .
H85 H 0.3470 0.2156 0.1578 0.341 Uiso 1 1 calc R U . . .
H86 H 0.3271 0.1971 0.1648 0.341 Uiso 1 1 calc R U . . .
H87 H 0.3526 0.1688 0.1883 0.341 Uiso 1 1 calc R U . . .
C121 C 0.34965(12) 0.1816(3) 0.08832(15) 0.0494(15) Uani 1 1 d . . . . .
C122 C 0.36413(14) 0.1576(4) 0.11903(16) 0.0573(18) Uani 1 1 d . . . . .
H31 H 0.3603 0.1221 0.1301 0.069 Uiso 1 1 calc R U . . .
C123 C 0.38449(14) 0.1943(4) 0.13011(16) 0.0578(17) Uani 1 1 d . . . . .
H32 H 0.3976 0.1887 0.1502 0.069 Uiso 1 1 calc R U . . .
C124 C 0.38246(13) 0.2426(3) 0.10592(15) 0.0514(16) Uani 1 1 d . . . . .
C125 C 0.39738(12) 0.2950(3) 0.10476(15) 0.0519(16) Uani 1 1 d . . . . .
C126 C 0.39085(12) 0.3392(3) 0.07889(14) 0.0492(15) Uani 1 1 d . . . . .
C127 C 0.40398(13) 0.3990(4) 0.07616(16) 0.0560(17) Uani 1 1 d . . . . .
H33 H 0.4190 0.4138 0.0917 0.067 Uiso 1 1 calc R U . . .
C128 C 0.39160(12) 0.4310(3) 0.04791(15) 0.0525(16) Uani 1 1 d . . . . .
H34 H 0.3962 0.4727 0.0401 0.063 Uiso 1 1 calc R U . . .
C129 C 0.37044(11) 0.3917(3) 0.03185(14) 0.0467(14) Uani 1 1 d . . . . .
C130 C 0.35336(12) 0.4056(3) 0.00178(14) 0.0482(15) Uani 1 1 d . . . . .
C131 C 0.33328(12) 0.3631(3) -0.01204(15) 0.0510(16) Uani 1 1 d . . . . .
C132 C 0.31483(12) 0.3733(4) -0.04264(16) 0.0551(16) Uani 1 1 d . . . . .
H35 H 0.3138 0.4102 -0.0572 0.066 Uiso 1 1 calc R U . . .
C133 C 0.29864(12) 0.3191(3) -0.04720(16) 0.0546(16) Uani 1 1 d . . . . .
H36 H 0.2844 0.3116 -0.0658 0.065 Uiso 1 1 calc R U . . .
C134 C 0.30656(12) 0.2767(3) -0.01975(15) 0.0519(16) Uani 1 1 d . . . . .
C135 C 0.29465(12) 0.2202(3) -0.01478(16) 0.0536(16) Uani 1 1 d . . . . .
C136 C 0.30307(12) 0.1873(3) 0.01410(16) 0.0528(16) Uani 1 1 d . . . . .
C137 C 0.29358(13) 0.1333(3) 0.02573(18) 0.0581(17) Uani 1 1 d . . . . .
H37 H 0.2789 0.1099 0.0143 0.070 Uiso 1 1 calc R U . . .
C138 C 0.30925(13) 0.1210(3) 0.05641(17) 0.0580(18) Uani 1 1 d . . . . .
H38 H 0.3076 0.0874 0.0701 0.070 Uiso 1 1 calc R U . . .
C139 C 0.32808(12) 0.1678(3) 0.06360(16) 0.0509(16) Uani 1 1 d . . . . .
N13 N 0.36111(10) 0.2341(3) 0.08046(12) 0.0499(13) Uani 1 1 d . . . . .
N14 N 0.36979(10) 0.3342(3) 0.05084(11) 0.0477(12) Uani 1 1 d . . . . .
N15 N 0.32872(9) 0.3032(3) 0.00253(12) 0.0487(12) Uani 1 1 d . . . . .
N16 N 0.32417(10) 0.2080(3) 0.03782(12) 0.0491(12) Uani 1 1 d . . . . .
Si4 Si 0.34885(3) 0.25547(9) 0.03926(4) 0.0462(4) Uani 1 1 d . . . . .
O13 O 0.35984(8) 0.1883(2) 0.02824(9) 0.0478(10) Uani 1 1 d . . . . .
H118 H 0.3704 0.1661 0.0439 0.072 Uiso 1 1 calc DR U . . .
C140 C 0.42007(13) 0.3050(4) 0.13281(15) 0.0576(17) Uani 1 1 d . . . . .
C141 C 0.42315(16) 0.3424(5) 0.1589(2) 0.085(3) Uani 1 1 d . . . . .
C142 C 0.44370(19) 0.3484(6) 0.1855(2) 0.096(3) Uani 1 1 d . . . . .
C143 C 0.46290(16) 0.3169(5) 0.1870(2) 0.081(3) Uani 1 1 d . . . . .
C144 C 0.46033(15) 0.2785(6) 0.1615(2) 0.084(3) Uani 1 1 d . . . . .
C145 C 0.43976(14) 0.2725(5) 0.13563(19) 0.068(2) Uani 1 1 d . . . . .
F31 F 0.40467(11) 0.3739(4) 0.15815(12) 0.126(3) Uani 1 1 d . . . . .
F32 F 0.44532(13) 0.3836(5) 0.21005(14) 0.165(4) Uani 1 1 d . . . . .
F33 F 0.48274(9) 0.3210(3) 0.21327(12) 0.1064(18) Uani 1 1 d . . . . .
F34 F 0.47873(10) 0.2471(5) 0.16256(15) 0.128(2) Uani 1 1 d . . . . .
F35 F 0.43787(9) 0.2334(4) 0.11131(11) 0.0966(16) Uani 1 1 d . . . . .
C146 C 0.27165(13) 0.1969(4) -0.04053(16) 0.0561(17) Uani 1 1 d . . . . .
C147 C 0.25196(15) 0.2248(5) -0.0427(2) 0.078(2) Uani 1 1 d . . . . .
C148 C 0.23069(14) 0.2009(5) -0.0652(2) 0.082(3) Uani 1 1 d . . . . .
C149 C 0.22838(14) 0.1517(4) -0.08752(19) 0.068(2) Uani 1 1 d . . . . .
C150 C 0.24711(13) 0.1234(4) -0.08684(16) 0.0555(16) Uani 1 1 d . . . . .
C151 C 0.26828(13) 0.1455(4) -0.06334(16) 0.0561(17) Uani 1 1 d . . . . .
F36 F 0.25357(9) 0.2774(3) -0.02218(14) 0.110(2) Uani 1 1 d . . . . .
F37 F 0.21204(9) 0.2276(4) -0.06561(17) 0.129(3) Uani 1 1 d . . . . .
F38 F 0.20747(8) 0.1295(3) -0.11000(11) 0.0829(13) Uani 1 1 d . . . . .
F39 F 0.24484(8) 0.0748(2) -0.10873(9) 0.0705(11) Uani 1 1 d . . . . .
F40 F 0.28695(8) 0.1159(2) -0.06296(10) 0.0742(12) Uani 1 1 d . . . . .
C152 C 0.35545(12) 0.4697(3) -0.01578(14) 0.0479(15) Uani 1 1 d . . . . .
C153 C 0.34479(13) 0.5405(4) -0.01850(16) 0.0572(17) Uani 1 1 d . . . . .
C154 C 0.34574(14) 0.6001(4) -0.03577(17) 0.0610(19) Uani 1 1 d . . . . .
H39 H 0.3384 0.6477 -0.0371 0.073 Uiso 1 1 calc R U . . .
C155 C 0.35756(12) 0.5897(3) -0.05121(14) 0.0508(16) Uani 1 1 d . . . . .
C156 C 0.36884(13) 0.5213(3) -0.04892(14) 0.0545(16) Uani 1 1 d . . . . .
H40 H 0.3774 0.5150 -0.0588 0.065 Uiso 1 1 calc R U . . .
C157 C 0.36708(12) 0.4624(3) -0.03164(14) 0.0501(15) Uani 1 1 d . . . . .
O14 O 0.33364(11) 0.5446(3) -0.00237(14) 0.0793(17) Uani 1 1 d . . . . .
C158 C 0.3242(2) 0.6174(5) -0.0016(3) 0.117(4) Uani 1 1 d . . . . .
H88 H 0.3167 0.6130 0.0105 0.175 Uiso 1 1 calc R U . . .
H89 H 0.3364 0.6559 0.0078 0.175 Uiso 1 1 calc R U . . .
H90 H 0.3129 0.6333 -0.0228 0.175 Uiso 1 1 calc R U . . .
O15 O 0.35730(9) 0.6511(2) -0.06816(10) 0.0601(12) Uani 1 1 d . . . . .
C159 C 0.36819(15) 0.6412(4) -0.08612(16) 0.0646(19) Uani 1 1 d . . . . .
H91 H 0.3669 0.6890 -0.0973 0.097 Uiso 1 1 calc R U . . .
H92 H 0.3844 0.6287 -0.0723 0.097 Uiso 1 1 calc R U . . .
H93 H 0.3607 0.5992 -0.1010 0.097 Uiso 1 1 calc R U . . .
O16 O 0.37724(9) 0.3916(2) -0.02836(11) 0.0586(12) Uani 1 1 d . . . . .
C160 C 0.38841(17) 0.3786(4) -0.0458(2) 0.077(2) Uani 1 1 d . . . . .
H94 H 0.3949 0.3266 -0.0416 0.115 Uiso 1 1 calc R U . . .
H95 H 0.3772 0.3838 -0.0680 0.115 Uiso 1 1 calc R U . . .
H96 H 0.4006 0.4166 -0.0398 0.115 Uiso 1 1 calc R U . . .
C161 C 0.36898(12) 0.6666(3) 0.28035(14) 0.0517(16) Uani 1 1 d . . . . .
C162 C 0.35803(13) 0.6937(4) 0.29584(15) 0.0546(17) Uani 1 1 d . . . . .
H41 H 0.3652 0.7110 0.3167 0.065 Uiso 1 1 calc R U . . .
C163 C 0.33533(12) 0.6904(4) 0.27544(14) 0.0524(16) Uani 1 1 d . . . . .
H42 H 0.3236 0.7053 0.2794 0.063 Uiso 1 1 calc R U . . .
C164 C 0.33191(12) 0.6613(3) 0.24742(13) 0.0469(15) Uani 1 1 d . . . . .
C165 C 0.31235(12) 0.6467(3) 0.21896(14) 0.0490(15) Uani 1 1 d . . . . .
C166 C 0.31375(11) 0.6197(3) 0.19402(13) 0.0464(14) Uani 1 1 d . . . . .
C167 C 0.29497(12) 0.6084(3) 0.16350(14) 0.0500(15) Uani 1 1 d . . . . .
H43 H 0.2793 0.6162 0.1569 0.060 Uiso 1 1 calc R U . . .
C168 C 0.30326(12) 0.5848(3) 0.14556(14) 0.0483(15) Uani 1 1 d . . . . .
H44 H 0.2944 0.5726 0.1242 0.058 Uiso 1 1 calc R U . . .
C169 C 0.32708(12) 0.5814(3) 0.16390(13) 0.0458(15) Uani 1 1 d . . . . .
C170 C 0.34196(12) 0.5610(3) 0.15340(13) 0.0465(15) Uani 1 1 d . . . . .
C171 C 0.36515(12) 0.5573(3) 0.17373(14) 0.0474(15) Uani 1 1 d . . . . .
C172 C 0.38145(13) 0.5352(4) 0.16590(15) 0.0565(17) Uani 1 1 d . . . . .
H45 H 0.3784 0.5217 0.1458 0.068 Uiso 1 1 calc R U . . .
C173 C 0.40235(13) 0.5365(4) 0.19204(15) 0.0564(16) Uani 1 1 d . . . . .
H46 H 0.4165 0.5238 0.1936 0.068 Uiso 1 1 calc R U . . .
C174 C 0.39925(12) 0.5607(4) 0.21688(15) 0.0519(15) Uani 1 1 d . . . . .
C175 C 0.41656(12) 0.5731(4) 0.24690(16) 0.0577(17) Uani 1 1 d . . . . .
C176 C 0.41258(12) 0.6041(4) 0.26887(15) 0.0538(16) Uani 1 1 d . . . . .
C177 C 0.42703(14) 0.6261(4) 0.30009(16) 0.0627(18) Uani 1 1 d . . . . .
H47 H 0.4432 0.6210 0.3117 0.075 Uiso 1 1 calc R U . . .
C178 C 0.41366(13) 0.6561(4) 0.31086(16) 0.0582(17) Uani 1 1 d . . . . .
H48 H 0.4188 0.6759 0.3310 0.070 Uiso 1 1 calc R U . . .
C179 C 0.39089(12) 0.6518(3) 0.28611(14) 0.0508(16) Uani 1 1 d . . . . .
N17 N 0.35289(9) 0.6463(3) 0.25077(10) 0.0455(12) Uani 1 1 d . . . . .
N18 N 0.33386(9) 0.6020(3) 0.19398(11) 0.0454(12) Uani 1 1 d . . . . .
N19 N 0.37597(9) 0.5730(3) 0.20506(11) 0.0459(12) Uani 1 1 d . . . . .
N20 N 0.39027(10) 0.6201(3) 0.26068(12) 0.0491(12) Uani 1 1 d . . . . .
Si5 Si 0.36245(3) 0.58770(9) 0.22866(4) 0.0451(4) Uani 1 1 d . . . . .
O26 O 0.35988(8) 0.4994(2) 0.23831(9) 0.0517(10) Uani 1 1 d . . . . .
H119 H 0.3729 0.4803 0.2497 0.078 Uiso 1 1 calc R U . . .
C181 C 0.28899(13) 0.6669(4) 0.21371(14) 0.0563(17) Uani 1 1 d . . . . .
C182 C 0.28139(14) 0.7420(4) 0.20829(16) 0.0590(18) Uani 1 1 d . . . . .
C183 C 0.25944(18) 0.7611(5) 0.2009(2) 0.079(2) Uani 1 1 d . . . . .
C184 C 0.24569(17) 0.7058(7) 0.1995(2) 0.092(3) Uani 1 1 d . . . . .
C185 C 0.25255(15) 0.6307(5) 0.2060(2) 0.077(2) Uani 1 1 d . . . . .
C186 C 0.27434(14) 0.6124(4) 0.21334(16) 0.0603(18) Uani 1 1 d . . . . .
F41 F 0.29509(9) 0.7980(2) 0.20884(11) 0.0780(13) Uani 1 1 d . . . . .
F42 F 0.25259(11) 0.8351(3) 0.19484(14) 0.1078(19) Uani 1 1 d . . . . .
F43 F 0.22362(11) 0.7239(4) 0.19065(18) 0.131(2) Uani 1 1 d . . . . .
F44 F 0.23821(10) 0.5753(4) 0.20416(16) 0.1128(19) Uani 1 1 d . . . . .
F45 F 0.28108(8) 0.5393(2) 0.21920(10) 0.0683(11) Uani 1 1 d . . . . .
C187 C 0.44055(13) 0.5539(5) 0.25636(17) 0.0652(19) Uani 1 1 d . . . . .
C188 C 0.44857(13) 0.4800(5) 0.26173(16) 0.0642(19) Uani 1 1 d . . . . .
C189 C 0.47064(17) 0.4611(6) 0.27088(19) 0.081(2) Uani 1 1 d . . . . .
C190 C 0.48562(19) 0.5187(7) 0.2752(3) 0.101(3) Uani 1 1 d . . . . .
C191 C 0.4792(2) 0.5926(8) 0.2712(4) 0.140(5) Uani 1 1 d . . . . .
C192 C 0.45607(19) 0.6110(6) 0.2616(3) 0.105(3) Uani 1 1 d . . . . .
F46 F 0.43483(9) 0.4220(3) 0.25774(13) 0.0899(14) Uani 1 1 d . . . . .
F47 F 0.47793(9) 0.3882(3) 0.27537(13) 0.1002(16) Uani 1 1 d . . . . .
F48 F 0.50764(10) 0.5019(5) 0.28456(18) 0.138(3) Uani 1 1 d . . . . .
F49 F 0.49362(14) 0.6505(5) 0.2766(3) 0.220(6) Uani 1 1 d . . . . .
F50 F 0.44991(12) 0.6848(4) 0.2577(2) 0.151(3) Uani 1 1 d . . . . .
C193 C 0.33140(12) 0.5466(3) 0.11965(14) 0.0484(15) Uani 1 1 d . . . . .
C194 C 0.32281(13) 0.6089(3) 0.09868(14) 0.0513(16) Uani 1 1 d . . . . .
C195 C 0.31072(14) 0.5969(4) 0.06687(15) 0.0611(19) Uani 1 1 d . . . . .
H49 H 0.3045 0.6391 0.0530 0.073 Uiso 1 1 calc R U . . .
C196 C 0.30798(13) 0.5221(4) 0.05586(14) 0.0566(17) Uani 1 1 d . . . . .
C197 C 0.31783(12) 0.4609(4) 0.07550(14) 0.0556(17) Uani 1 1 d . . . . .
H50 H 0.3166 0.4103 0.0676 0.067 Uiso 1 1 calc R U . . .
C198 C 0.32957(12) 0.4744(3) 0.10708(14) 0.0510(15) Uani 1 1 d . . . . .
O17 O 0.32680(10) 0.6796(2) 0.11190(10) 0.0630(13) Uani 1 1 d . . . . .
C199 C 0.32314(18) 0.7456(4) 0.09243(19) 0.078(3) Uani 1 1 d . . . . .
H97 H 0.3266 0.7929 0.1047 0.117 Uiso 1 1 calc R U . . .
H98 H 0.3332 0.7421 0.0838 0.117 Uiso 1 1 calc R U . . .
H99 H 0.3072 0.7467 0.0756 0.117 Uiso 1 1 calc R U . . .
O18 O 0.29530(10) 0.5157(3) 0.02449(10) 0.0715(14) Uani 1 1 d . . . . .
C200 C 0.29364(17) 0.4419(5) 0.01147(17) 0.080(3) Uani 1 1 d . . . . .
H100 H 0.2841 0.4451 -0.0111 0.121 Uiso 1 1 calc R U . . .
H101 H 0.3089 0.4237 0.0172 0.121 Uiso 1 1 calc R U . . .
H102 H 0.2867 0.4058 0.0193 0.121 Uiso 1 1 calc R U . . .
O19 O 0.33938(9) 0.4168(2) 0.12826(10) 0.0608(13) Uani 1 1 d . . . . .
C201 C 0.34410(17) 0.3467(4) 0.11743(18) 0.085(3) Uani 1 1 d . . . . .
H103 H 0.3511 0.3094 0.1344 0.128 Uiso 1 1 calc R U . . .
H104 H 0.3298 0.3255 0.1005 0.128 Uiso 1 1 calc R U . . .
H105 H 0.3546 0.3574 0.1100 0.128 Uiso 1 1 calc R U . . .
C202 C 0.32624(15) 0.3494(4) 0.20229(17) 0.070(2) Uani 1 1 d . . . . .
C203 C 0.30669(17) 0.3933(4) 0.18361(19) 0.084(3) Uani 1 1 d . . . . .
H51 H 0.3045 0.4275 0.1675 0.101 Uiso 1 1 calc R U . . .
C204 C 0.29095(17) 0.3773(5) 0.1932(2) 0.093(3) Uani 1 1 d . . . . .
H52 H 0.2762 0.3996 0.1851 0.112 Uiso 1 1 calc R U . . .
C205 C 0.30109(15) 0.3222(5) 0.2168(2) 0.093(3) Uani 1 1 d . . . . .
C206 C 0.29301(18) 0.2847(5) 0.2337(3) 0.112(4) Uani 1 1 d . . . . .
C207 C 0.30618(17) 0.2286(5) 0.2556(3) 0.109(4) Uani 1 1 d . . . . .
C208 C 0.29855(19) 0.1818(6) 0.2716(4) 0.137(6) Uani 1 1 d . . . . .
H53 H 0.2839 0.1836 0.2696 0.165 Uiso 1 1 calc R U . . .
C209 C 0.31623(17) 0.1333(5) 0.2908(3) 0.105(4) Uani 1 1 d . . . . .
H54 H 0.3161 0.0972 0.3049 0.126 Uiso 1 1 calc R U . . .
C210 C 0.33464(15) 0.1467(4) 0.2856(2) 0.078(2) Uani 1 1 d . . . . .
C211 C 0.35451(13) 0.1078(4) 0.29898(18) 0.0623(19) Uani 1 1 d . . . . .
C212 C 0.37163(13) 0.1239(4) 0.29234(17) 0.0613(18) Uani 1 1 d . . . . .
C213 C 0.39285(13) 0.0867(4) 0.30512(16) 0.0597(18) Uani 1 1 d . . . . .
H55 H 0.3980 0.0456 0.3196 0.072 Uiso 1 1 calc R U . . .
C214 C 0.40488(14) 0.1195(4) 0.29317(16) 0.0633(19) Uani 1 1 d . . . . .
H56 H 0.4198 0.1056 0.2976 0.076 Uiso 1 1 calc R U . . .
C215 C 0.39063(14) 0.1791(4) 0.27257(15) 0.0598(19) Uani 1 1 d . . . . .
C216 C 0.39662(14) 0.2249(4) 0.25510(16) 0.0632(19) Uani 1 1 d . . . . .
C217 C 0.38122(15) 0.2763(4) 0.23346(16) 0.065(2) Uani 1 1 d . . . . .
C218 C 0.38279(15) 0.3271(4) 0.21291(16) 0.067(2) Uani 1 1 d . . . . .
H57 H 0.3958 0.3343 0.2108 0.080 Uiso 1 1 calc R U . . .
C219 C 0.36221(16) 0.3645(4) 0.19640(16) 0.070(2) Uani 1 1 d . . . . .
H58 H 0.3583 0.4019 0.1807 0.085 Uiso 1 1 calc R U . . .
C220 C 0.34800(15) 0.3370(4) 0.20725(15) 0.065(2) Uani 1 1 d . . . . .
N21 N 0.32283(11) 0.3044(3) 0.22225(16) 0.076(2) Uani 1 1 d . . . . .
N22 N 0.32865(12) 0.2069(3) 0.26393(18) 0.083(2) Uani 1 1 d . . . . .
N23 N 0.36978(11) 0.1819(3) 0.27204(13) 0.0584(15) Uani 1 1 d . . . . .
N24 N 0.35971(11) 0.2827(3) 0.22974(13) 0.0619(16) Uani 1 1 d . . . . .
Si6 Si 0.34809(4) 0.25784(11) 0.25465(5) 0.0659(6) Uani 1 1 d . . . . .
O20 O 0.35924(9) 0.3239(2) 0.28088(11) 0.0639(13) Uani 1 1 d . . . . .
H120 H 0.3547 0.3674 0.2726 0.096 Uiso 1 1 calc R U . . .
C221 C 0.41955(14) 0.2184(4) 0.25845(16) 0.0613(19) Uani 1 1 d . . . . .
C222 C 0.43863(14) 0.2457(5) 0.28457(17) 0.0664(19) Uani 1 1 d . . . . .
C223 C 0.46042(15) 0.2404(5) 0.28846(17) 0.072(2) Uani 1 1 d . . . . .
C224 C 0.46316(16) 0.2094(5) 0.2661(2) 0.079(2) Uani 1 1 d . . . . .
C225 C 0.44376(19) 0.1809(5) 0.2392(2) 0.087(3) Uani 1 1 d . . . . .
C226 C 0.42283(16) 0.1862(5) 0.23668(19) 0.076(2) Uani 1 1 d . . . . .
F51 F 0.43706(8) 0.2783(3) 0.30738(10) 0.0830(13) Uani 1 1 d . . . . .
F52 F 0.47812(9) 0.2667(4) 0.31406(12) 0.0988(16) Uani 1 1 d . . . . .
F53 F 0.48342(9) 0.2037(3) 0.26834(13) 0.0991(16) Uani 1 1 d . . . . .
F54 F 0.44613(13) 0.1516(4) 0.21632(15) 0.127(2) Uani 1 1 d . . . . .
F55 F 0.40443(10) 0.1591(3) 0.20991(11) 0.1002(16) Uani 1 1 d . . . . .
C227 C 0.35781(12) 0.0445(3) 0.32085(18) 0.0583(17) Uani 1 1 d . . . . .
C228 C 0.36773(14) 0.0566(3) 0.35182(18) 0.0600(18) Uani 1 1 d . . . . .
C229 C 0.37026(13) -0.0002(3) 0.37255(17) 0.0559(17) Uani 1 1 d . . . . .
H59 H 0.3771 0.0099 0.3940 0.067 Uiso 1 1 calc R U . . .
C230 C 0.36211(13) -0.0740(4) 0.36014(16) 0.0561(17) Uani 1 1 d . . . . .
C231 C 0.35224(16) -0.0883(4) 0.32950(18) 0.082(3) Uani 1 1 d . . . . .
H60 H 0.3467 -0.1385 0.3218 0.098 Uiso 1 1 calc R U . . .
C232 C 0.35012(15) -0.0302(4) 0.30942(17) 0.075(2) Uani 1 1 d . . . . .
O21 O 0.37489(12) 0.1310(3) 0.36125(14) 0.0807(17) Uani 1 1 d . . . . .
C233 C 0.3847(2) 0.1469(5) 0.3932(2) 0.115(4) Uani 1 1 d . . . . .
H106 H 0.3891 0.2013 0.3971 0.173 Uiso 1 1 calc R U . . .
H107 H 0.3735 0.1358 0.3994 0.173 Uiso 1 1 calc R U . . .
H108 H 0.3982 0.1145 0.4051 0.173 Uiso 1 1 calc R U . . .
O22 O 0.36353(9) -0.1344(2) 0.37853(11) 0.0615(12) Uani 1 1 d . . . . .
C234 C 0.37403(13) -0.1210(4) 0.41077(15) 0.0593(17) Uani 1 1 d . . . . .
H109 H 0.3739 -0.1687 0.4211 0.089 Uiso 1 1 calc R U . . .
H110 H 0.3898 -0.1043 0.4190 0.089 Uiso 1 1 calc R U . . .
H111 H 0.3656 -0.0809 0.4145 0.089 Uiso 1 1 calc R U . . .
O23 O 0.34164(15) -0.0385(3) 0.27875(13) 0.126(3) Uani 1 1 d . U . . .
C277 C 0.2141(3) -0.2532(8) 0.1126(4) 0.075(4) Uani 0.496(4) 1 d D U P A 2
H121 H 0.2053 -0.2726 0.0911 0.090 Uiso 0.496(4) 1 calc R U P A 2
H122 H 0.2202 -0.2984 0.1265 0.090 Uiso 0.496(4) 1 calc R U P A 2
C276 C 0.2338(2) -0.2051(9) 0.1163(3) 0.080(4) Uani 0.496(4) 1 d D U P A 2
H123 H 0.2400 -0.1740 0.1355 0.097 Uiso 0.496(4) 1 calc R U P A 2
H124 H 0.2462 -0.2395 0.1184 0.097 Uiso 0.496(4) 1 calc R U P A 2
C275 C 0.2267(3) -0.1534(9) 0.0897(4) 0.079(4) Uani 0.496(4) 1 d D U P A 2
H125 H 0.2131 -0.1239 0.0860 0.095 Uiso 0.496(4) 1 calc R U P A 2
H126 H 0.2222 -0.1848 0.0710 0.095 Uiso 0.496(4) 1 calc R U P A 2
C274 C 0.2450(3) -0.0989(10) 0.0944(4) 0.091(4) Uani 0.496(4) 1 d D U P A 2
H127 H 0.2587 -0.1281 0.0982 0.109 Uiso 0.496(4) 1 calc R U P A 2
H128 H 0.2493 -0.0667 0.1129 0.109 Uiso 0.496(4) 1 calc R U P A 2
C244 C 0.3358(3) -0.1138(7) 0.2665(2) 0.219(10) Uani 1 1 d . U . . .
H112 H 0.3299 -0.1123 0.2442 0.329 Uiso 1 1 calc R U . . .
H113 H 0.3494 -0.1468 0.2766 0.329 Uiso 1 1 calc R U . . .
H114 H 0.3240 -0.1346 0.2703 0.329 Uiso 1 1 calc R U . . .
C273 C 0.2370(3) -0.0473(11) 0.0663(5) 0.099(5) Uani 0.496(4) 1 d D U P A 2
H129 H 0.2493 -0.0118 0.0700 0.148 Uiso 0.496(4) 1 calc R U P A 2
H130 H 0.2330 -0.0792 0.0482 0.148 Uiso 0.496(4) 1 calc R U P A 2
H131 H 0.2236 -0.0178 0.0628 0.148 Uiso 0.496(4) 1 calc R U P A 2
F56 F 0.28513(14) 0.4202(3) 0.26337(18) 0.059(2) Uani 0.504(4) 1 d . U P A 1
F57 F 0.24455(17) 0.4523(4) 0.2572(2) 0.079(3) Uani 0.504(4) 1 d . U P A 1
F58 F 0.20879(17) 0.3566(6) 0.2259(3) 0.094(3) Uani 0.504(4) 1 d . U P A 1
F60 F 0.25443(15) 0.1951(6) 0.2053(3) 0.103(4) Uani 0.504(4) 1 d . U P A 1
F59 F 0.21402(18) 0.2266(8) 0.2016(4) 0.129(5) Uani 0.504(4) 1 d . U P A 1
C245 C 0.27040(14) 0.3078(5) 0.2331(2) 0.045(3) Uani 0.504(4) 1 d G U P A 1
C246 C 0.26778(15) 0.3749(4) 0.2460(2) 0.054(3) Uani 0.504(4) 1 d G U P A 1
C247 C 0.24697(18) 0.3910(5) 0.2437(3) 0.060(3) Uani 0.504(4) 1 d G U P A 1
C248 C 0.22879(15) 0.3401(7) 0.2285(3) 0.082(6) Uani 0.504(4) 1 d G U P A 1
C249 C 0.23142(15) 0.2729(6) 0.2156(3) 0.090(5) Uani 0.504(4) 1 d G U P A 1
C250 C 0.25222(17) 0.2568(5) 0.2179(2) 0.072(4) Uani 0.504(4) 1 d G U P A 1
F61 F 0.2553(2) 0.2328(8) 0.1610(4) 0.141(5) Uani 0.496(4) 1 d . U P A 2
F62 F 0.2062(5) 0.2361(16) 0.1346(5) 0.193(9) Uani 0.496(4) 1 d . U P A 2
F64 F 0.2738(3) 0.3368(11) 0.2576(4) 0.133(5) Uani 0.496(4) 1 d . U P A 2
F63 F 0.1974(3) 0.2917(11) 0.1824(5) 0.174(7) Uani 0.496(4) 1 d . U P A 2
F65 F 0.2309(4) 0.3465(13) 0.2390(5) 0.165(8) Uani 0.496(4) 1 d . U P A 2
C251 C 0.2666(2) 0.2808(10) 0.2113(4) 0.108(6) Uani 0.496(4) 1 d G U P A 2
C252 C 0.2506(3) 0.2574(10) 0.1815(4) 0.117(6) Uani 0.496(4) 1 d G U P A 2
C253 C 0.2274(3) 0.2601(11) 0.1715(4) 0.141(7) Uani 0.496(4) 1 d G U P A 2
C254 C 0.2203(2) 0.2862(12) 0.1914(5) 0.129(7) Uani 0.496(4) 1 d G U P A 2
C255 C 0.2363(4) 0.3096(12) 0.2212(5) 0.125(7) Uani 0.496(4) 1 d G U P A 2
C256 C 0.2595(3) 0.3069(11) 0.2311(3) 0.116(7) Uani 0.496(4) 1 d G U P A 2
C268 C 0.1064(6) 0.250(2) 0.3398(7) 0.168(8) Uani 0.429(7) 1 d D U P B 3
H132 H 0.0949 0.2102 0.3272 0.202 Uiso 0.429(7) 1 calc R U P B 3
H133 H 0.0977 0.2969 0.3379 0.202 Uiso 0.429(7) 1 calc R U P B 3
C269 C 0.1158(7) 0.223(2) 0.3732(6) 0.182(9) Uani 0.429(7) 1 d D U P B 3
H134 H 0.1306 0.1988 0.3791 0.219 Uiso 0.429(7) 1 calc R U P B 3
H135 H 0.1196 0.2718 0.3852 0.219 Uiso 0.429(7) 1 calc R U P B 3
C270 C 0.1056(6) 0.172(2) 0.3876(8) 0.199(9) Uani 0.429(7) 1 d D U P B 3
H136 H 0.0905 0.1564 0.3701 0.239 Uiso 0.429(7) 1 calc R U P B 3
H137 H 0.1023 0.2073 0.4003 0.239 Uiso 0.429(7) 1 calc R U P B 3
C271 C 0.1152(7) 0.099(2) 0.4073(11) 0.201(10) Uani 0.429(7) 1 d D U P B 3
H138 H 0.1037 0.0842 0.4127 0.241 Uiso 0.429(7) 1 calc R U P B 3
H139 H 0.1143 0.0592 0.3926 0.241 Uiso 0.429(7) 1 calc R U P B 3
C272 C 0.1379(7) 0.084(3) 0.4365(10) 0.210(13) Uani 0.429(7) 1 d D U P B 3
H140 H 0.1385 0.0306 0.4431 0.315 Uiso 0.429(7) 1 calc R U P B 3
H141 H 0.1504 0.0935 0.4325 0.315 Uiso 0.429(7) 1 calc R U P B 3
H142 H 0.1395 0.1189 0.4529 0.315 Uiso 0.429(7) 1 calc R U P B 3
C267 C 0.1180(5) 0.2674(11) 0.3219(6) 0.105(7) Uani 0.429(7) 1 d D U P B 3
H185 H 0.1065 0.2828 0.3009 0.158 Uiso 0.429(7) 1 calc R U P B 3
H186 H 0.1289 0.3095 0.3321 0.158 Uiso 0.429(7) 1 calc R U P B 3
H187 H 0.1261 0.2215 0.3212 0.158 Uiso 0.429(7) 1 calc R U P B 3
C266 C -0.0009(5) 0.0550(14) 0.4883(7) 0.158(9) Uani 0.5 1 d D U P C -1
H143 H 0.0055 0.0085 0.4846 0.237 Uiso 0.5 1 calc R U P C -1
H144 H 0.0055 0.0616 0.5106 0.237 Uiso 0.5 1 calc R U P C -1
H145 H -0.0175 0.0500 0.4780 0.237 Uiso 0.5 1 calc R U P C -1
C265 C 0.0054(5) 0.1287(12) 0.4747(7) 0.141(6) Uani 0.5 1 d D U P C -1
H146 H 0.0223 0.1309 0.4849 0.169 Uiso 0.5 1 calc R U P C -1
H147 H -0.0007 0.1193 0.4524 0.169 Uiso 0.5 1 calc R U P C -1
C262 C 0.0025(5) 0.3623(13) 0.4821(6) 0.146(6) Uani 0.5 1 d D U P C -1
H148 H 0.0181 0.3724 0.4997 0.175 Uiso 0.5 1 calc R U P C -1
H149 H -0.0074 0.3563 0.4911 0.175 Uiso 0.5 1 calc R U P C -1
C263 C 0.0036(5) 0.2842(10) 0.4704(7) 0.144(6) Uani 0.5 1 d D U P C -1
H150 H 0.0196 0.2783 0.4755 0.173 Uiso 0.5 1 calc R U P C -1
H151 H -0.0057 0.2884 0.4476 0.173 Uiso 0.5 1 calc R U P C -1
C264 C -0.0027(4) 0.2076(10) 0.4778(6) 0.126(5) Uani 0.5 1 d D U P C -1
H152 H -0.0196 0.2052 0.4653 0.152 Uiso 0.5 1 calc R U P C -1
H153 H 0.0013 0.2113 0.4996 0.152 Uiso 0.5 1 calc R U P C -1
C261 C -0.0050(6) 0.4369(16) 0.4640(8) 0.184(10) Uani 0.5 1 d D U P C -1
H154 H -0.0040 0.4789 0.4777 0.276 Uiso 0.5 1 calc R U P C -1
H155 H 0.0049 0.4481 0.4556 0.276 Uiso 0.5 1 calc R U P C -1
H156 H -0.0209 0.4319 0.4469 0.276 Uiso 0.5 1 calc R U P C -1
C287 C 0.2351(3) 0.1752(9) 0.1300(5) 0.090(4) Uani 0.504(4) 1 d D U P A 1
H157 H 0.2245 0.1392 0.1137 0.108 Uiso 0.504(4) 1 calc R U P A 1
H158 H 0.2411 0.1488 0.1502 0.108 Uiso 0.504(4) 1 calc R U P A 1
C288 C 0.2552(3) 0.1934(10) 0.1250(5) 0.101(4) Uani 0.504(4) 1 d D U P A 1
H159 H 0.2673 0.2209 0.1433 0.121 Uiso 0.504(4) 1 calc R U P A 1
H160 H 0.2498 0.2275 0.1068 0.121 Uiso 0.504(4) 1 calc R U P A 1
C289 C 0.2653(4) 0.1174(11) 0.1198(6) 0.115(5) Uani 0.504(4) 1 d D U P A 1
H161 H 0.2734 0.0883 0.1395 0.138 Uiso 0.504(4) 1 calc R U P A 1
H162 H 0.2526 0.0848 0.1044 0.138 Uiso 0.504(4) 1 calc R U P A 1
C285 C 0.2098(4) 0.2364(18) 0.1485(6) 0.114(8) Uani 0.504(4) 1 d D U P A 1
H163 H 0.2015 0.2837 0.1473 0.172 Uiso 0.504(4) 1 calc R U P A 1
H164 H 0.1990 0.1932 0.1403 0.172 Uiso 0.504(4) 1 calc R U P A 1
H165 H 0.2213 0.2261 0.1702 0.172 Uiso 0.504(4) 1 calc R U P A 1
C290 C 0.2818(5) 0.1333(16) 0.1085(7) 0.145(8) Uani 0.504(4) 1 d D U P A 1
H166 H 0.2876 0.0845 0.1055 0.217 Uiso 0.504(4) 1 calc R U P A 1
H167 H 0.2737 0.1611 0.0887 0.217 Uiso 0.504(4) 1 calc R U P A 1
H168 H 0.2945 0.1647 0.1238 0.217 Uiso 0.504(4) 1 calc R U P A 1
C286 C 0.2216(3) 0.2460(10) 0.1296(5) 0.090(4) Uani 0.504(4) 1 d D U P A 1
H169 H 0.2098 0.2578 0.1079 0.108 Uiso 0.504(4) 1 calc R U P A 1
H170 H 0.2321 0.2907 0.1378 0.108 Uiso 0.504(4) 1 calc R U P A 1
O27 O 0.39524(8) 0.0981(3) 0.07401(10) 0.0564(11) Uani 1 1 d D . . . .
O28 O 0.33973(9) 0.4692(3) 0.27217(12) 0.0656(13) Uani 1 1 d D . . . .
H191 H 0.3238(3) 0.482(5) 0.263(2) 0.12(4) Uiso 1 1 d D . . . .
O29 O 0.33834(9) 0.0465(3) 0.00702(10) 0.0663(13) Uani 1 1 d D . . . .
H197 H 0.3386(12) 0.1014(4) 0.0093(8) 0.17(6) Uiso 1 1 d D . . . .
O30 O 0.39579(9) 0.4181(3) 0.28446(12) 0.0697(13) Uani 1 1 d D . . . .
H194 H 0.3899(11) 0.3665(14) 0.281(3) 0.13(4) Uiso 1 1 d D . . . .
H193 H 0.3960(9) 0.436(4) 0.3027(6) 0.15(5) Uiso 1 1 d D . . . .
C292 C 0.0732(5) 0.4258(17) 0.2223(10) 0.239(10) Uani 0.571(7) 1 d D U P B 4
H171 H 0.0792 0.4552 0.2111 0.286 Uiso 0.571(7) 1 calc R U P B 4
H172 H 0.0744 0.4598 0.2389 0.286 Uiso 0.571(7) 1 calc R U P B 4
C296 C 0.1103(4) 0.2881(11) 0.2913(6) 0.139(8) Uani 0.571(7) 1 d D U P B 4
H188 H 0.1181 0.2553 0.3097 0.209 Uiso 0.571(7) 1 calc R U P B 4
H189 H 0.1041 0.3337 0.2960 0.209 Uiso 0.571(7) 1 calc R U P B 4
H190 H 0.0978 0.2591 0.2744 0.209 Uiso 0.571(7) 1 calc R U P B 4
C293 C 0.0888(4) 0.3598(18) 0.2375(8) 0.228(9) Uani 0.571(7) 1 d D U P B 4
H173 H 0.0836 0.3179 0.2220 0.273 Uiso 0.571(7) 1 calc R U P B 4
H174 H 0.0862 0.3417 0.2541 0.273 Uiso 0.571(7) 1 calc R U P B 4
C294 C 0.1145(5) 0.3665(19) 0.2517(7) 0.206(8) Uani 0.571(7) 1 d D U P B 4
H175 H 0.1193 0.4208 0.2574 0.247 Uiso 0.571(7) 1 calc R U P B 4
H176 H 0.1188 0.3504 0.2364 0.247 Uiso 0.571(7) 1 calc R U P B 4
C295 C 0.1272(4) 0.3131(18) 0.2817(6) 0.181(8) Uani 0.571(7) 1 d D U P B 4
H177 H 0.1336 0.2672 0.2771 0.218 Uiso 0.571(7) 1 calc R U P B 4
H178 H 0.1399 0.3419 0.2988 0.218 Uiso 0.571(7) 1 calc R U P B 4
C291 C 0.0479(6) 0.412(2) 0.1998(9) 0.237(13) Uani 0.571(7) 1 d D U P B 4
H179 H 0.0402 0.4618 0.1920 0.355 Uiso 0.571(7) 1 calc R U P B 4
H180 H 0.0460 0.3807 0.1825 0.355 Uiso 0.571(7) 1 calc R U P B 4
H181 H 0.0412 0.3853 0.2104 0.355 Uiso 0.571(7) 1 calc R U P B 4
C278 C 0.1985(3) -0.2108(10) 0.1195(5) 0.095(6) Uani 0.496(4) 1 d D U P A 2
H182 H 0.1861 -0.2449 0.1166 0.142 Uiso 0.496(4) 1 calc R U P A 2
H183 H 0.2069 -0.1925 0.1409 0.142 Uiso 0.496(4) 1 calc R U P A 2
H184 H 0.1921 -0.1666 0.1054 0.142 Uiso 0.496(4) 1 calc R U P A 2
H192 H 0.3422(6) 0.481(5) 0.2555(6) 0.10(3) Uiso 1 1 d D . . . .
H195 H 0.3966(4) 0.0701(14) 0.0586(4) 0.34(13) Uiso 1 1 d D . . . .
H196 H 0.4034(12) 0.117(3) 0.0949(5) 0.08(3) Uiso 1 1 d D . . . .
H198 H 0.3429(11) 0.039(2) 0.0283(4) 0.11(3) Uiso 1 1 d D . . . .
C297 C 0.4686(11) -0.466(4) 0.0593(15) 0.290(19) Uani 0.429(7) 1 d D U P B 3
H199 H 0.4576 -0.5051 0.0573 0.435 Uiso 0.429(7) 1 calc R U P B 3
H200 H 0.4628 -0.4392 0.0394 0.435 Uiso 0.429(7) 1 calc R U P B 3
H201 H 0.4833 -0.4901 0.0652 0.435 Uiso 0.429(7) 1 calc R U P B 3
C298 C 0.4719(11) -0.407(4) 0.0842(16) 0.296(17) Uani 0.429(7) 1 d D U P B 3
H202 H 0.4752 -0.4467 0.1000 0.356 Uiso 0.429(7) 1 calc R U P B 3
H203 H 0.4554 -0.3974 0.0750 0.356 Uiso 0.429(7) 1 calc R U P B 3
C299 C 0.4791(10) -0.338(4) 0.1076(16) 0.299(17) Uani 0.429(7) 1 d D U P B 3
H204 H 0.4788 -0.3685 0.1241 0.359 Uiso 0.429(7) 1 calc R U P B 3
H205 H 0.4640 -0.3125 0.0970 0.359 Uiso 0.429(7) 1 calc R U P B 3
C300 C 0.4926(11) -0.268(3) 0.1286(16) 0.302(17) Uani 0.429(7) 1 d D U P B 3
H206 H 0.4791 -0.2342 0.1210 0.362 Uiso 0.429(7) 1 calc R U P B 3
H207 H 0.4943 -0.2903 0.1479 0.362 Uiso 0.429(7) 1 calc R U P B 3
C302 C 0.5280(11) -0.136(4) 0.1539(17) 0.31(2) Uani 0.429(7) 1 d D U P B 3
H208 H 0.5345 -0.1238 0.1759 0.461 Uiso 0.429(7) 1 calc R U P B 3
H209 H 0.5402 -0.1517 0.1503 0.461 Uiso 0.429(7) 1 calc R U P B 3
H210 H 0.5202 -0.0908 0.1414 0.461 Uiso 0.429(7) 1 calc R U P B 3
C301 C 0.5106(12) -0.203(4) 0.1449(14) 0.305(17) Uani 0.429(7) 1 d D U P B 3
H211 H 0.5215 -0.2370 0.1621 0.366 Uiso 0.429(7) 1 calc R U P B 3
H212 H 0.5020 -0.1780 0.1535 0.366 Uiso 0.429(7) 1 calc R U P B 3
C304 C 0.3802(8) -0.363(4) 0.0996(15) 0.381(18) Uani 0.571(7) 1 d D U P B 4
H213 H 0.3800 -0.3546 0.1189 0.457 Uiso 0.571(7) 1 calc R U P B 4
H214 H 0.3709 -0.4102 0.0904 0.457 Uiso 0.571(7) 1 calc R U P B 4
C307 C 0.4515(8) -0.401(4) 0.1510(12) 0.379(18) Uani 0.571(7) 1 d D U P B 4
H215 H 0.4554 -0.4563 0.1529 0.455 Uiso 0.571(7) 1 calc R U P B 4
H216 H 0.4601 -0.3801 0.1723 0.455 Uiso 0.571(7) 1 calc R U P B 4
C305 C 0.4042(9) -0.392(4) 0.1114(12) 0.377(18) Uani 0.571(7) 1 d D U P B 4
H217 H 0.4090 -0.3624 0.0989 0.452 Uiso 0.571(7) 1 calc R U P B 4
H218 H 0.4017 -0.4451 0.1031 0.452 Uiso 0.571(7) 1 calc R U P B 4
C306 C 0.4263(9) -0.399(4) 0.1425(11) 0.379(18) Uani 0.571(7) 1 d D U P B 4
H219 H 0.4244 -0.4475 0.1515 0.455 Uiso 0.571(7) 1 calc R U P B 4
H220 H 0.4256 -0.3570 0.1551 0.455 Uiso 0.571(7) 1 calc R U P B 4
C303 C 0.3646(10) -0.300(4) 0.0786(16) 0.39(2) Uani 0.571(7) 1 d D U P B 4
H221 H 0.3499 -0.3032 0.0775 0.592 Uiso 0.571(7) 1 calc R U P B 4
H222 H 0.3716 -0.2498 0.0870 0.592 Uiso 0.571(7) 1 calc R U P B 4
H223 H 0.3623 -0.3065 0.0579 0.592 Uiso 0.571(7) 1 calc R U P B 4
C308 C 0.4633(10) -0.365(4) 0.1346(15) 0.39(2) Uani 0.571(7) 1 d D U P B 4
H224 H 0.4796 -0.3774 0.1464 0.587 Uiso 0.571(7) 1 calc R U P B 4
H225 H 0.4565 -0.3866 0.1137 0.587 Uiso 0.571(7) 1 calc R U P B 4
H226 H 0.4612 -0.3093 0.1334 0.587 Uiso 0.571(7) 1 calc R U P B 4


_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 1.378(8) . ?
C1 C19 1.378(10) . ?
C1 C2 1.407(11) . ?
C2 C3 1.355(10) . ?
C2 H1 0.9500 . ?
C3 C4 1.403(10) . ?
C3 H2 0.9500 . ?
C4 C5 1.381(9) . ?
C4 N1 1.388(9) . ?
C5 C6 1.393(10) . ?
C5 C20 1.481(10) . ?
C6 N2 1.416(9) . ?
C6 C7 1.417(9) . ?
C7 C8 1.356(10) . ?
C7 H3 0.9500 . ?
C8 C9 1.412(9) . ?
C8 H4 0.9500 . ?
C9 C10 1.374(10) . ?
C9 N2 1.400(8) . ?
C10 C11 1.374(9) . ?
C10 C32 1.497(9) . ?
C11 N3 1.382(8) . ?
C11 C12 1.426(10) . ?
C12 C13 1.358(9) . ?
C12 H5 0.9500 . ?
C13 C14 1.417(10) . ?
C13 H6 0.9500 . ?
C14 C15 1.381(9) . ?
C14 N3 1.415(8) . ?
C15 C16 1.377(10) . ?
C15 C26 1.509(10) . ?
C16 N4 1.373(9) . ?
C16 C17 1.420(9) . ?
C17 C18 1.373(11) . ?
C17 H7 0.9500 . ?
C18 C19 1.420(9) . ?
C18 H8 0.9500 . ?
C19 N4 1.376(8) . ?
N1 Si1 1.841(6) . ?
N2 Si1 1.839(5) . ?
N3 Si1 1.850(6) . ?
N4 Si1 1.840(5) . ?
Si1 O1 1.622(4) . ?
O1 H115 0.8400 . ?
F5 C25 1.349(10) . ?
C20 C21 1.356(11) . ?
C20 C25 1.359(11) . ?
C21 F1 1.342(10) . ?
C21 C22 1.371(14) . ?
C22 C23 1.331(16) . ?
C22 F2 1.348(12) . ?
C23 F3 1.347(13) . ?
C23 C24 1.361(16) . ?
C24 F4 1.343(12) . ?
C24 C25 1.374(14) . ?
C26 C31 1.358(10) . ?
C26 C27 1.386(10) . ?
C27 F6 1.352(9) . ?
C27 C28 1.373(11) . ?
C28 C29 1.347(12) . ?
C28 F7 1.358(8) . ?
F8 C29 1.355(9) . ?
F9 C30 1.331(9) . ?
F10 C31 1.328(7) . ?
C29 C30 1.354(11) . ?
C30 C31 1.401(11) . ?
C32 C33 1.383(9) . ?
C32 C37 1.410(9) . ?
C33 O2 1.376(7) . ?
C33 C34 1.399(9) . ?
C34 C35 1.383(9) . ?
C34 H9 0.9500 . ?
C35 O3 1.361(8) . ?
C35 C36 1.380(9) . ?
C36 C37 1.394(9) . ?
C36 H10 0.9500 . ?
C37 O4 1.350(7) . ?
O2 C38 1.444(8) . ?
O3 C39 1.424(9) . ?
O4 C40 1.443(8) . ?
C38 H61 0.9800 . ?
C38 H62 0.9800 . ?
C38 H63 0.9800 . ?
C39 H64 0.9800 . ?
C39 H65 0.9800 . ?
C39 H66 0.9800 . ?
C40 H67 0.9800 . ?
C40 H68 0.9800 . ?
C40 H69 0.9800 . ?
C41 C59 1.378(9) . ?
C41 N5 1.385(8) . ?
C41 C42 1.412(8) . ?
C42 C43 1.371(10) . ?
C42 H11 0.9500 . ?
C43 C44 1.404(9) . ?
C43 H12 0.9500 . ?
C44 C45 1.381(9) . ?
C44 N5 1.388(8) . ?
C45 C46 1.377(8) . ?
C45 C60 1.486(9) . ?
C46 N6 1.408(8) . ?
C46 C47 1.421(9) . ?
C47 C48 1.341(9) . ?
C47 H13 0.9500 . ?
C48 C49 1.414(10) . ?
C48 H14 0.9500 . ?
C49 C50 1.372(9) . ?
C49 N6 1.392(8) . ?
C50 C51 1.391(9) . ?
C50 C72 1.495(8) . ?
C51 N7 1.401(7) . ?
C51 C52 1.423(9) . ?
C52 C53 1.335(9) . ?
C52 H15 0.9500 . ?
C53 C54 1.426(8) . ?
C53 H16 0.9500 . ?
C54 C55 1.390(9) . ?
C54 N7 1.413(8) . ?
C55 C56 1.394(8) . ?
C55 C66 1.482(9) . ?
C56 N8 1.370(8) . ?
C56 C57 1.409(9) . ?
C57 C58 1.361(9) . ?
C57 H17 0.9500 . ?
C58 C59 1.410(9) . ?
C58 H18 0.9500 . ?
C59 N8 1.367(7) . ?
N5 Si2 1.835(5) . ?
N6 Si2 1.855(5) . ?
N7 Si2 1.831(5) . ?
N8 Si2 1.847(5) . ?
Si2 O5 1.634(4) . ?
O5 H116 0.8400 . ?
C60 C65 1.369(9) . ?
C60 C61 1.392(10) . ?
C61 F11 1.330(8) . ?
C61 C62 1.360(11) . ?
C62 F12 1.365(9) . ?
C62 C63 1.372(12) . ?
C63 F13 1.344(9) . ?
C63 C64 1.367(12) . ?
C64 F14 1.338(9) . ?
C64 C65 1.364(10) . ?
C65 F15 1.352(8) . ?
C66 C67 1.362(9) . ?
C66 C71 1.409(10) . ?
C67 F16 1.349(8) . ?
C67 C68 1.379(10) . ?
C68 F17 1.331(8) . ?
C68 C69 1.365(10) . ?
C69 F18 1.344(8) . ?
C69 C70 1.369(10) . ?
C70 F19 1.352(8) . ?
C70 C71 1.357(10) . ?
C71 F20 1.322(7) . ?
C72 C73 1.389(9) . ?
C72 C77 1.395(9) . ?
C73 C74 1.375(9) . ?
C73 O6 1.377(8) . ?
C74 C75 1.373(10) . ?
C74 H19 0.9500 . ?
C75 O7 1.372(8) . ?
C75 C76 1.381(10) . ?
C76 C77 1.402(9) . ?
C76 H20 0.9500 . ?
C77 O8 1.354(8) . ?
O6 C78 1.419(8) . ?
C78 H70 0.9800 . ?
C78 H71 0.9800 . ?
C78 H72 0.9800 . ?
O7 C79 1.429(9) . ?
C79 H73 0.9800 . ?
C79 H74 0.9800 . ?
C79 H75 0.9800 . ?
O8 C80 1.452(9) . ?
C80 H76 0.9800 . ?
C80 H77 0.9800 . ?
C80 H78 0.9800 . ?
C81 C99 1.364(10) . ?
C81 N9 1.383(8) . ?
C81 C82 1.412(9) . ?
C82 C83 1.350(10) . ?
C82 H21 0.9500 . ?
C83 C84 1.443(9) . ?
C83 H22 0.9500 . ?
C84 C85 1.367(10) . ?
C84 N9 1.390(8) . ?
C85 C86 1.392(9) . ?
C85 C100 1.481(9) . ?
C86 N10 1.397(8) . ?
C86 C87 1.418(10) . ?
C87 C88 1.342(9) . ?
C87 H23 0.9500 . ?
C88 C89 1.398(10) . ?
C88 H24 0.9500 . ?
C89 C90 1.377(9) . ?
C89 N10 1.414(8) . ?
C90 C91 1.370(10) . ?
C90 C112 1.500(10) . ?
C91 N11 1.418(9) . ?
C91 C92 1.434(10) . ?
C92 C93 1.333(11) . ?
C92 H25 0.9500 . ?
C93 C94 1.428(10) . ?
C93 H26 0.9500 . ?
C94 C95 1.384(11) . ?
C94 N11 1.394(9) . ?
C95 C96 1.387(10) . ?
C95 C106 1.489(11) . ?
C96 N12 1.373(9) . ?
C96 C97 1.403(11) . ?
C97 C98 1.377(10) . ?
C97 H27 0.9500 . ?
C98 C99 1.413(10) . ?
C98 H28 0.9500 . ?
C99 N12 1.384(9) . ?
N9 Si3 1.838(5) . ?
N10 Si3 1.849(6) . ?
N11 Si3 1.842(5) . ?
N12 Si3 1.842(6) . ?
Si3 O9 1.627(4) . ?
O9 H117 0.8400 . ?
C100 C101 1.369(9) . ?
C100 C105 1.400(9) . ?
C101 F21 1.327(7) . ?
C101 C102 1.365(10) . ?
C102 F22 1.341(7) . ?
C102 C103 1.372(10) . ?
C103 F23 1.325(8) . ?
C103 C104 1.376(10) . ?
C104 C105 1.344(10) . ?
C104 F24 1.352(8) . ?
C105 F25 1.350(7) . ?
C106 C107 1.347(14) . ?
C106 C111 1.386(12) . ?
C107 F26 1.393(13) . ?
C107 C108 1.404(16) . ?
C108 F27 1.319(15) . ?
C108 C109 1.394(19) . ?
C109 C110 1.323(17) . ?
C109 F28 1.360(13) . ?
C110 F29 1.324(12) . ?
C110 C111 1.348(12) . ?
C111 F30 1.327(10) . ?
C112 C117 1.374(11) . ?
C112 C113 1.412(10) . ?
C113 O10 1.353(9) . ?
C113 C114 1.392(11) . ?
C114 C115 1.349(12) . ?
C114 H29 0.9500 . ?
C115 O11 1.347(10) . ?
C115 C116 1.377(12) . ?
C116 C117 1.367(12) . ?
C116 H30 0.9500 . ?
C117 O12 1.356(10) . ?
O10 C118 1.433(10) . ?
C118 H79 0.9800 . ?
C118 H80 0.9800 . ?
C118 H81 0.9800 . ?
O11 C119 1.224(13) . ?
C119 H82 0.9800 . ?
C119 H83 0.9800 . ?
C119 H84 0.9800 . ?
O12 C120 1.431(13) . ?
C120 H85 0.9800 . ?
C120 H86 0.9800 . ?
C120 H87 0.9800 . ?
C121 C139 1.376(10) . ?
C121 N13 1.382(8) . ?
C121 C122 1.406(10) . ?
C122 C123 1.359(10) . ?
C122 H31 0.9500 . ?
C123 C124 1.426(9) . ?
C123 H32 0.9500 . ?
C124 N13 1.368(9) . ?
C124 C125 1.386(10) . ?
C125 C126 1.375(9) . ?
C125 C140 1.476(10) . ?
C126 N14 1.409(9) . ?
C126 C127 1.420(9) . ?
C127 C128 1.348(9) . ?
C127 H33 0.9500 . ?
C128 C129 1.415(9) . ?
C128 H34 0.9500 . ?
C129 C130 1.378(9) . ?
C129 N14 1.398(8) . ?
C130 C131 1.387(9) . ?
C130 C152 1.473(8) . ?
C131 N15 1.396(8) . ?
C131 C132 1.415(10) . ?
C132 C133 1.376(10) . ?
C132 H35 0.9500 . ?
C133 C134 1.407(9) . ?
C133 H36 0.9500 . ?
C134 C135 1.375(9) . ?
C134 N15 1.419(9) . ?
C135 C136 1.384(10) . ?
C135 C146 1.490(10) . ?
C136 N16 1.365(9) . ?
C136 C137 1.423(9) . ?
C137 C138 1.372(10) . ?
C137 H37 0.9500 . ?
C138 C139 1.400(10) . ?
C138 H38 0.9500 . ?
C139 N16 1.374(8) . ?
N13 Si4 1.834(5) . ?
N14 Si4 1.842(5) . ?
N15 Si4 1.841(5) . ?
N16 Si4 1.840(6) . ?
Si4 O13 1.629(4) . ?
O13 H118 0.8400 . ?
C140 C141 1.379(11) . ?
C140 C145 1.393(11) . ?
C141 F31 1.356(11) . ?
C141 C142 1.360(13) . ?
C142 F32 1.330(11) . ?
C142 C143 1.384(14) . ?
C143 F33 1.323(10) . ?
C143 C144 1.376(14) . ?
C144 F34 1.341(11) . ?
C144 C145 1.342(12) . ?
C145 F35 1.347(9) . ?
C146 C147 1.376(11) . ?
C146 C151 1.377(10) . ?
C147 F36 1.340(9) . ?
C147 C148 1.368(12) . ?
C148 F37 1.341(9) . ?
C148 C149 1.357(11) . ?
C149 F38 1.345(9) . ?
C149 C150 1.351(11) . ?
C150 F39 1.331(7) . ?
C150 C151 1.371(10) . ?
C151 F40 1.362(8) . ?
C152 C157 1.388(9) . ?
C152 C153 1.398(9) . ?
C153 O14 1.367(8) . ?
C153 C154 1.373(9) . ?
C154 C155 1.387(10) . ?
C154 H39 0.9500 . ?
C155 O15 1.358(7) . ?
C155 C156 1.387(9) . ?
C156 C157 1.387(9) . ?
C156 H40 0.9500 . ?
C157 O16 1.378(8) . ?
O14 C158 1.428(9) . ?
C158 H88 0.9800 . ?
C158 H89 0.9800 . ?
C158 H90 0.9800 . ?
O15 C159 1.443(9) . ?
C159 H91 0.9800 . ?
C159 H92 0.9800 . ?
C159 H93 0.9800 . ?
O16 C160 1.445(9) . ?
C160 H94 0.9800 . ?
C160 H95 0.9800 . ?
C160 H96 0.9800 . ?
C161 N17 1.368(8) . ?
C161 C179 1.390(10) . ?
C161 C162 1.407(10) . ?
C162 C163 1.351(10) . ?
C162 H41 0.9500 . ?
C163 C164 1.401(9) . ?
C163 H42 0.9500 . ?
C164 N17 1.374(9) . ?
C164 C165 1.392(9) . ?
C165 C166 1.387(9) . ?
C165 C181 1.515(10) . ?
C166 N18 1.404(9) . ?
C166 C167 1.423(9) . ?
C167 C168 1.350(9) . ?
C167 H43 0.9500 . ?
C168 C169 1.398(9) . ?
C168 H44 0.9500 . ?
C169 N18 1.385(8) . ?
C169 C170 1.406(9) . ?
C170 C171 1.376(10) . ?
C170 C193 1.489(8) . ?
C171 N19 1.384(8) . ?
C171 C172 1.408(10) . ?
C172 C173 1.357(10) . ?
C172 H45 0.9500 . ?
C173 C174 1.433(10) . ?
C173 H46 0.9500 . ?
C174 C175 1.377(10) . ?
C174 N19 1.395(9) . ?
C175 C176 1.376(10) . ?
C175 C187 1.486(11) . ?
C176 N20 1.383(9) . ?
C176 C177 1.414(10) . ?
C177 C178 1.378(11) . ?
C177 H47 0.9500 . ?
C178 C179 1.409(10) . ?
C178 H48 0.9500 . ?
C179 N20 1.373(8) . ?
N17 Si5 1.854(5) . ?
N18 Si5 1.850(5) . ?
N19 Si5 1.855(5) . ?
N20 Si5 1.838(6) . ?
Si5 O26 1.644(4) . ?
O26 H119 0.8400 . ?
C181 C186 1.369(10) . ?
C181 C182 1.377(9) . ?
C182 F41 1.337(9) . ?
C182 C183 1.384(12) . ?
C183 C184 1.316(14) . ?
C183 F42 1.347(9) . ?
C184 C185 1.367(14) . ?
C184 F43 1.368(11) . ?
C185 F44 1.339(10) . ?
C185 C186 1.371(12) . ?
C186 F45 1.330(8) . ?
C187 C188 1.365(11) . ?
C187 C192 1.373(13) . ?
C188 F46 1.318(10) . ?
C188 C189 1.368(12) . ?
C189 F47 1.335(11) . ?
C189 C190 1.364(15) . ?
C190 C191 1.337(17) . ?
C190 F48 1.354(12) . ?
C191 F49 1.334(14) . ?
C191 C192 1.424(17) . ?
C192 F50 1.331(12) . ?
C193 C198 1.379(9) . ?
C193 C194 1.412(8) . ?
C194 O17 1.356(7) . ?
C194 C195 1.391(9) . ?
C195 C196 1.386(10) . ?
C195 H49 0.9500 . ?
C196 O18 1.362(8) . ?
C196 C197 1.370(9) . ?
C197 C198 1.386(9) . ?
C197 H50 0.9500 . ?
C198 O19 1.362(7) . ?
O17 C199 1.444(8) . ?
C199 H97 0.9800 . ?
C199 H98 0.9800 . ?
C199 H99 0.9800 . ?
O18 C200 1.418(9) . ?
C200 H100 0.9800 . ?
C200 H101 0.9800 . ?
C200 H102 0.9800 . ?
O19 C201 1.434(8) . ?
C201 H103 0.9800 . ?
C201 H104 0.9800 . ?
C201 H105 0.9800 . ?
C202 N21 1.382(11) . ?
C202 C220 1.387(12) . ?
C202 C203 1.399(11) . ?
C203 C204 1.409(14) . ?
C203 H51 0.9500 . ?
C204 C205 1.403(12) . ?
C204 H52 0.9500 . ?
C205 C206 1.388(16) . ?
C205 N21 1.395(12) . ?
C206 C207 1.398(13) . ?
C206 C251 1.561(17) . ?
C206 C245 1.574(13) . ?
C207 N22 1.414(12) . ?
C207 C208 1.417(15) . ?
C208 C209 1.378(13) . ?
C208 H53 0.9500 . ?
C209 C210 1.422(13) . ?
C209 H54 0.9500 . ?
C210 C211 1.345(11) . ?
C210 N22 1.412(10) . ?
C211 C212 1.395(11) . ?
C211 C227 1.489(9) . ?
C212 N23 1.393(8) . ?
C212 C213 1.403(10) . ?
C213 C214 1.364(11) . ?
C213 H55 0.9500 . ?
C214 C215 1.435(9) . ?
C214 H56 0.9500 . ?
C215 C216 1.393(10) . ?
C215 N23 1.407(10) . ?
C216 C217 1.383(10) . ?
C216 C221 1.487(12) . ?
C217 N24 1.383(11) . ?
C217 C218 1.404(10) . ?
C218 C219 1.372(12) . ?
C218 H57 0.9500 . ?
C219 C220 1.415(12) . ?
C219 H58 0.9500 . ?
C220 N24 1.372(8) . ?
N21 Si6 1.844(6) . ?
N22 Si6 1.839(7) . ?
N23 Si6 1.834(6) . ?
N24 Si6 1.844(7) . ?
Si6 O20 1.615(6) . ?
O20 H120 0.8400 . ?
C221 C226 1.346(11) . ?
C221 C222 1.377(11) . ?
C222 F51 1.332(9) . ?
C222 C223 1.396(12) . ?
C223 F52 1.316(9) . ?
C223 C224 1.346(12) . ?
C224 F53 1.328(10) . ?
C224 C225 1.410(13) . ?
C225 F54 1.342(10) . ?
C225 C226 1.367(13) . ?
C226 F55 1.372(10) . ?
C227 C228 1.361(11) . ?
C227 C232 1.406(10) . ?
C228 O21 1.377(8) . ?
C228 C229 1.381(10) . ?
C229 C230 1.409(9) . ?
C229 H59 0.9500 . ?
C230 C231 1.353(11) . ?
C230 O22 1.368(8) . ?
C231 C232 1.381(10) . ?
C231 H60 0.9500 . ?
C232 O23 1.351(10) . ?
O21 C233 1.415(11) . ?
C233 H106 0.9800 . ?
C233 H107 0.9800 . ?
C233 H108 0.9800 . ?
O22 C234 1.418(8) . ?
C234 H109 0.9800 . ?
C234 H110 0.9800 . ?
C234 H111 0.9800 . ?
O23 C244 1.413(13) . ?
C277 C278 1.469(15) . ?
C277 C276 1.512(14) . ?
C277 H121 0.9900 . ?
C277 H122 0.9900 . ?
C276 C275 1.475(15) . ?
C276 H123 0.9900 . ?
C276 H124 0.9900 . ?
C275 C274 1.483(15) . ?
C275 H125 0.9900 . ?
C275 H126 0.9900 . ?
C274 C273 1.519(15) . ?
C274 H127 0.9900 . ?
C274 H128 0.9900 . ?
C244 H112 0.9800 . ?
C244 H113 0.9800 . ?
C244 H114 0.9800 . ?
C273 H129 0.9800 . ?
C273 H130 0.9800 . ?
C273 H131 0.9800 . ?
F56 C246 1.313(10) . ?
F57 C247 1.315(11) . ?
F58 C248 1.330(12) . ?
F60 C250 1.291(11) . ?
F59 C249 1.301(13) . ?
C245 C246 1.3900 . ?
C245 C250 1.3900 . ?
C246 C247 1.3900 . ?
C247 C248 1.3900 . ?
C248 C249 1.3900 . ?
C249 C250 1.3900 . ?
F61 C252 1.30(2) . ?
F62 C253 1.72(3) . ?
F64 C256 1.29(2) . ?
F63 C254 1.38(2) . ?
F65 C255 1.30(3) . ?
C251 C252 1.3900 . ?
C251 C256 1.3900 . ?
C252 C253 1.3900 . ?
C253 C254 1.3900 . ?
C254 C255 1.3900 . ?
C255 C256 1.3900 . ?
C268 C267 1.497(18) . ?
C268 C269 1.528(18) . ?
C268 H132 0.9900 . ?
C268 H133 0.9900 . ?
C269 C270 1.523(19) . ?
C269 H134 0.9900 . ?
C269 H135 0.9900 . ?
C270 C271 1.537(19) . ?
C270 H136 0.9900 . ?
C270 H137 0.9900 . ?
C271 C272 1.512(19) . ?
C271 H138 0.9900 . ?
C271 H139 0.9900 . ?
C272 H140 0.9800 . ?
C272 H141 0.9800 . ?
C272 H142 0.9800 . ?
C267 H185 0.9800 . ?
C267 H186 0.9800 . ?
C267 H187 0.9800 . ?
C266 C265 1.61(3) . ?
C266 H143 0.9800 . ?
C266 H144 0.9800 . ?
C266 H145 0.9800 . ?
C265 C264 1.512(17) . ?
C265 H146 0.9900 . ?
C265 H147 0.9900 . ?
C262 C263 1.496(17) . ?
C262 C261 1.513(18) . ?
C262 H148 0.9900 . ?
C262 H149 0.9900 . ?
C263 C264 1.500(16) . ?
C263 H150 0.9900 . ?
C263 H151 0.9900 . ?
C264 H152 0.9900 . ?
C264 H153 0.9900 . ?
C261 H154 0.9800 . ?
C261 H155 0.9800 . ?
C261 H156 0.9800 . ?
C287 C286 1.529(15) . ?
C287 C288 1.544(15) . ?
C287 H157 0.9900 . ?
C287 H158 0.9900 . ?
C288 C289 1.573(16) . ?
C288 H159 0.9900 . ?
C288 H160 0.9900 . ?
C289 C290 1.519(17) . ?
C289 H161 0.9900 . ?
C289 H162 0.9900 . ?
C285 C286 1.537(17) . ?
C285 H163 0.9800 . ?
C285 H164 0.9800 . ?
C285 H165 0.9800 . ?
C290 H166 0.9800 . ?
C290 H167 0.9800 . ?
C290 H168 0.9800 . ?
C286 H169 0.9900 . ?
C286 H170 0.9900 . ?
O27 H195 0.9600(11) . ?
O27 H196 0.9600(13) . ?
O28 H191 0.9600(12) . ?
O28 H192 0.9600(11) . ?
O29 H197 0.9600(13) . ?
O29 H198 0.9600(12) . ?
O30 H194 0.9600(12) . ?
O30 H193 0.9600(11) . ?
C292 C293 1.482(18) . ?
C292 C291 1.519(18) . ?
C292 H171 0.9900 . ?
C292 H172 0.9900 . ?
C296 C295 1.520(18) . ?
C296 H188 0.9800 . ?
C296 H189 0.9800 . ?
C296 H190 0.9800 . ?
C293 C294 1.521(18) . ?
C293 H173 0.9900 . ?
C293 H174 0.9900 . ?
C294 C295 1.598(18) . ?
C294 H175 0.9900 . ?
C294 H176 0.9900 . ?
C295 H177 0.9900 . ?
C295 H178 0.9900 . ?
C291 H179 0.9800 . ?
C291 H180 0.9800 . ?
C291 H181 0.9800 . ?
C278 H182 0.9800 . ?
C278 H183 0.9800 . ?
C278 H184 0.9800 . ?
C297 C298 1.541(18) . ?
C297 H199 0.9800 . ?
C297 H200 0.9800 . ?
C297 H201 0.9800 . ?
C298 C299 1.564(18) . ?
C298 H202 0.9900 . ?
C298 H203 0.9900 . ?
C299 C300 1.565(18) . ?
C299 H204 0.9900 . ?
C299 H205 0.9900 . ?
C300 C301 1.554(18) . ?
C300 H206 0.9900 . ?
C300 H207 0.9900 . ?
C302 C301 1.555(18) . ?
C302 H208 0.9800 . ?
C302 H209 0.9800 . ?
C302 H210 0.9800 . ?
C301 H211 0.9900 . ?
C301 H212 0.9900 . ?
C304 C305 1.510(19) . ?
C304 C303 1.51(2) . ?
C304 H213 0.9900 . ?
C304 H214 0.9900 . ?
C307 C306 1.538(19) . ?
C307 C308 1.54(2) . ?
C307 H215 0.9900 . ?
C307 H216 0.9900 . ?
C305 C306 1.52(2) . ?
C305 H217 0.9900 . ?
C305 H218 0.9900 . ?
C306 H219 0.9900 . ?
C306 H220 0.9900 . ?
C303 H221 0.9800 . ?
C303 H222 0.9800 . ?
C303 H223 0.9800 . ?
C308 H224 0.9800 . ?
C308 H225 0.9800 . ?
C308 H226 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 C19 110.2(6) . . ?
N1 C1 C2 109.4(6) . . ?
C19 C1 C2 140.3(6) . . ?
C3 C2 C1 107.1(6) . . ?
C3 C2 H1 126.4 . . ?
C1 C2 H1 126.4 . . ?
C2 C3 C4 108.6(7) . . ?
C2 C3 H2 125.7 . . ?
C4 C3 H2 125.7 . . ?
C5 C4 N1 118.4(6) . . ?
C5 C4 C3 133.2(7) . . ?
N1 C4 C3 108.4(6) . . ?
C4 C5 C6 121.1(6) . . ?
C4 C5 C20 118.6(6) . . ?
C6 C5 C20 120.1(6) . . ?
C5 C6 N2 126.1(6) . . ?
C5 C6 C7 125.3(7) . . ?
N2 C6 C7 108.5(6) . . ?
C8 C7 C6 108.4(6) . . ?
C8 C7 H3 125.8 . . ?
C6 C7 H3 125.8 . . ?
C7 C8 C9 108.2(6) . . ?
C7 C8 H4 125.9 . . ?
C9 C8 H4 125.9 . . ?
C10 C9 N2 124.2(6) . . ?
C10 C9 C8 126.4(6) . . ?
N2 C9 C8 109.4(6) . . ?
C9 C10 C11 121.4(6) . . ?
C9 C10 C32 119.5(6) . . ?
C11 C10 C32 119.0(6) . . ?
C10 C11 N3 125.0(7) . . ?
C10 C11 C12 125.7(6) . . ?
N3 C11 C12 109.4(5) . . ?
C13 C12 C11 107.4(6) . . ?
C13 C12 H5 126.3 . . ?
C11 C12 H5 126.3 . . ?
C12 C13 C14 108.9(6) . . ?
C12 C13 H6 125.6 . . ?
C14 C13 H6 125.6 . . ?
C15 C14 N3 125.5(6) . . ?
C15 C14 C13 126.4(6) . . ?
N3 C14 C13 107.9(5) . . ?
C16 C15 C14 121.8(6) . . ?
C16 C15 C26 120.0(6) . . ?
C14 C15 C26 118.1(6) . . ?
N4 C16 C15 118.9(5) . . ?
N4 C16 C17 109.3(6) . . ?
C15 C16 C17 131.8(7) . . ?
C18 C17 C16 107.1(6) . . ?
C18 C17 H7 126.4 . . ?
C16 C17 H7 126.4 . . ?
C17 C18 C19 107.2(6) . . ?
C17 C18 H8 126.4 . . ?
C19 C18 H8 126.4 . . ?
N4 C19 C1 112.0(6) . . ?
N4 C19 C18 109.1(6) . . ?
C1 C19 C18 138.6(7) . . ?
C1 N1 C4 106.5(6) . . ?
C1 N1 Si1 118.1(5) . . ?
C4 N1 Si1 133.3(4) . . ?
C9 N2 C6 105.6(5) . . ?
C9 N2 Si1 127.4(5) . . ?
C6 N2 Si1 125.2(4) . . ?
C11 N3 C14 106.5(5) . . ?
C11 N3 Si1 127.2(4) . . ?
C14 N3 Si1 125.2(4) . . ?
C16 N4 C19 107.2(5) . . ?
C16 N4 Si1 133.3(4) . . ?
C19 N4 Si1 117.3(5) . . ?
O1 Si1 N2 103.6(2) . . ?
O1 Si1 N4 103.9(2) . . ?
N2 Si1 N4 151.8(2) . . ?
O1 Si1 N1 102.9(2) . . ?
N2 Si1 N1 88.0(2) . . ?
N4 Si1 N1 80.2(2) . . ?
O1 Si1 N3 101.7(2) . . ?
N2 Si1 N3 92.1(2) . . ?
N4 Si1 N3 88.1(2) . . ?
N1 Si1 N3 154.6(2) . . ?
Si1 O1 H115 109.5 . . ?
C21 C20 C25 115.7(8) . . ?
C21 C20 C5 122.4(7) . . ?
C25 C20 C5 121.9(7) . . ?
F1 C21 C20 119.1(8) . . ?
F1 C21 C22 118.6(8) . . ?
C20 C21 C22 122.3(9) . . ?
C23 C22 F2 120.8(10) . . ?
C23 C22 C21 119.8(10) . . ?
F2 C22 C21 119.4(10) . . ?
C22 C23 F3 120.4(11) . . ?
C22 C23 C24 120.5(11) . . ?
F3 C23 C24 118.6(10) . . ?
F4 C24 C23 121.0(10) . . ?
F4 C24 C25 120.8(9) . . ?
C23 C24 C25 117.9(9) . . ?
F5 C25 C20 120.2(8) . . ?
F5 C25 C24 116.4(8) . . ?
C20 C25 C24 123.3(8) . . ?
C31 C26 C27 117.5(7) . . ?
C31 C26 C15 122.5(6) . . ?
C27 C26 C15 120.1(6) . . ?
F6 C27 C28 118.6(6) . . ?
F6 C27 C26 119.9(7) . . ?
C28 C27 C26 121.5(7) . . ?
C29 C28 F7 121.0(7) . . ?
C29 C28 C27 119.5(7) . . ?
F7 C28 C27 119.6(7) . . ?
C28 C29 F8 119.6(7) . . ?
C28 C29 C30 121.4(8) . . ?
F8 C29 C30 119.0(8) . . ?
F9 C30 C29 121.6(7) . . ?
F9 C30 C31 119.7(6) . . ?
C29 C30 C31 118.6(7) . . ?
F10 C31 C26 120.9(6) . . ?
F10 C31 C30 117.6(6) . . ?
C26 C31 C30 121.4(6) . . ?
C33 C32 C37 117.9(6) . . ?
C33 C32 C10 121.3(5) . . ?
C37 C32 C10 120.8(5) . . ?
O2 C33 C32 115.1(6) . . ?
O2 C33 C34 122.4(5) . . ?
C32 C33 C34 122.5(6) . . ?
C35 C34 C33 117.7(6) . . ?
C35 C34 H9 121.2 . . ?
C33 C34 H9 121.2 . . ?
O3 C35 C36 115.2(6) . . ?
O3 C35 C34 122.8(6) . . ?
C36 C35 C34 122.0(6) . . ?
C35 C36 C37 119.3(6) . . ?
C35 C36 H10 120.4 . . ?
C37 C36 H10 120.4 . . ?
O4 C37 C36 124.1(5) . . ?
O4 C37 C32 115.4(5) . . ?
C36 C37 C32 120.5(5) . . ?
C33 O2 C38 117.5(5) . . ?
C35 O3 C39 117.8(5) . . ?
C37 O4 C40 118.0(5) . . ?
O2 C38 H61 109.5 . . ?
O2 C38 H62 109.5 . . ?
H61 C38 H62 109.5 . . ?
O2 C38 H63 109.5 . . ?
H61 C38 H63 109.5 . . ?
H62 C38 H63 109.5 . . ?
O3 C39 H64 109.5 . . ?
O3 C39 H65 109.5 . . ?
H64 C39 H65 109.5 . . ?
O3 C39 H66 109.5 . . ?
H64 C39 H66 109.5 . . ?
H65 C39 H66 109.5 . . ?
O4 C40 H67 109.5 . . ?
O4 C40 H68 109.5 . . ?
H67 C40 H68 109.5 . . ?
O4 C40 H69 109.5 . . ?
H67 C40 H69 109.5 . . ?
H68 C40 H69 109.5 . . ?
C59 C41 N5 110.4(5) . . ?
C59 C41 C42 140.0(6) . . ?
N5 C41 C42 109.6(6) . . ?
C43 C42 C41 106.6(5) . . ?
C43 C42 H11 126.7 . . ?
C41 C42 H11 126.7 . . ?
C42 C43 C44 108.6(6) . . ?
C42 C43 H12 125.7 . . ?
C44 C43 H12 125.7 . . ?
C45 C44 N5 118.7(5) . . ?
C45 C44 C43 132.7(6) . . ?
N5 C44 C43 108.6(6) . . ?
C46 C45 C44 121.1(6) . . ?
C46 C45 C60 119.3(6) . . ?
C44 C45 C60 119.3(5) . . ?
C45 C46 N6 126.4(6) . . ?
C45 C46 C47 126.0(6) . . ?
N6 C46 C47 107.6(5) . . ?
C48 C47 C46 109.3(6) . . ?
C48 C47 H13 125.4 . . ?
C46 C47 H13 125.4 . . ?
C47 C48 C49 107.5(6) . . ?
C47 C48 H14 126.2 . . ?
C49 C48 H14 126.2 . . ?
C50 C49 N6 124.8(6) . . ?
C50 C49 C48 125.8(6) . . ?
N6 C49 C48 109.5(5) . . ?
C49 C50 C51 121.2(6) . . ?
C49 C50 C72 120.1(6) . . ?
C51 C50 C72 118.7(5) . . ?
C50 C51 N7 124.5(5) . . ?
C50 C51 C52 126.7(5) . . ?
N7 C51 C52 108.8(5) . . ?
C53 C52 C51 108.9(5) . . ?
C53 C52 H15 125.5 . . ?
C51 C52 H15 125.5 . . ?
C52 C53 C54 108.0(6) . . ?
C52 C53 H16 126.0 . . ?
C54 C53 H16 126.0 . . ?
C55 C54 N7 125.5(5) . . ?
C55 C54 C53 125.6(6) . . ?
N7 C54 C53 108.8(5) . . ?
C54 C55 C56 121.0(6) . . ?
C54 C55 C66 120.6(5) . . ?
C56 C55 C66 118.3(6) . . ?
N8 C56 C55 118.7(6) . . ?
N8 C56 C57 108.7(5) . . ?
C55 C56 C57 132.5(6) . . ?
C58 C57 C56 107.9(6) . . ?
C58 C57 H17 126.0 . . ?
C56 C57 H17 126.0 . . ?
C57 C58 C59 106.8(5) . . ?
C57 C58 H18 126.6 . . ?
C59 C58 H18 126.6 . . ?
N8 C59 C41 111.9(5) . . ?
N8 C59 C58 109.4(5) . . ?
C41 C59 C58 138.6(5) . . ?
C41 N5 C44 106.6(5) . . ?
C41 N5 Si2 117.9(4) . . ?
C44 N5 Si2 133.6(4) . . ?
C49 N6 C46 106.1(5) . . ?
C49 N6 Si2 127.3(4) . . ?
C46 N6 Si2 125.5(4) . . ?
C51 N7 C54 105.4(5) . . ?
C51 N7 Si2 127.3(4) . . ?
C54 N7 Si2 125.9(4) . . ?
C59 N8 C56 107.2(5) . . ?
C59 N8 Si2 117.6(4) . . ?
C56 N8 Si2 133.2(4) . . ?
O5 Si2 N7 101.2(2) . . ?
O5 Si2 N5 104.7(2) . . ?
N7 Si2 N5 153.3(2) . . ?
O5 Si2 N8 102.9(2) . . ?
N7 Si2 N8 88.0(2) . . ?
N5 Si2 N8 80.1(2) . . ?
O5 Si2 N6 103.6(2) . . ?
N7 Si2 N6 92.5(2) . . ?
N5 Si2 N6 87.7(2) . . ?
N8 Si2 N6 152.9(2) . . ?
Si2 O5 H116 109.5 . . ?
C65 C60 C61 115.3(7) . . ?
C65 C60 C45 124.1(6) . . ?
C61 C60 C45 120.5(6) . . ?
F11 C61 C62 118.7(7) . . ?
F11 C61 C60 119.7(6) . . ?
C62 C61 C60 121.6(7) . . ?
C61 C62 F12 120.3(7) . . ?
C61 C62 C63 120.8(8) . . ?
F12 C62 C63 118.9(7) . . ?
F13 C63 C64 120.2(7) . . ?
F13 C63 C62 120.6(8) . . ?
C64 C63 C62 119.2(7) . . ?
F14 C64 C65 121.5(7) . . ?
F14 C64 C63 119.8(7) . . ?
C65 C64 C63 118.7(7) . . ?
F15 C65 C64 117.3(6) . . ?
F15 C65 C60 118.3(6) . . ?
C64 C65 C60 124.3(7) . . ?
C67 C66 C71 115.7(6) . . ?
C67 C66 C55 122.4(6) . . ?
C71 C66 C55 121.9(6) . . ?
F16 C67 C66 119.6(6) . . ?
F16 C67 C68 116.4(6) . . ?
C66 C67 C68 124.1(6) . . ?
F17 C68 C69 120.3(6) . . ?
F17 C68 C67 121.6(6) . . ?
C69 C68 C67 118.1(6) . . ?
F18 C69 C68 119.5(6) . . ?
F18 C69 C70 120.2(6) . . ?
C68 C69 C70 120.2(6) . . ?
F19 C70 C71 120.0(6) . . ?
F19 C70 C69 119.3(6) . . ?
C71 C70 C69 120.6(6) . . ?
F20 C71 C70 118.8(6) . . ?
F20 C71 C66 120.0(6) . . ?
C70 C71 C66 121.2(6) . . ?
C73 C72 C77 117.3(6) . . ?
C73 C72 C50 122.0(6) . . ?
C77 C72 C50 120.6(6) . . ?
C74 C73 O6 122.7(6) . . ?
C74 C73 C72 122.7(6) . . ?
O6 C73 C72 114.5(5) . . ?
C75 C74 C73 118.3(6) . . ?
C75 C74 H19 120.8 . . ?
C73 C74 H19 120.8 . . ?
O7 C75 C74 115.4(6) . . ?
O7 C75 C76 122.4(7) . . ?
C74 C75 C76 122.2(6) . . ?
C75 C76 C77 118.1(7) . . ?
C75 C76 H20 120.9 . . ?
C77 C76 H20 120.9 . . ?
O8 C77 C72 115.9(5) . . ?
O8 C77 C76 122.8(6) . . ?
C72 C77 C76 121.3(6) . . ?
C73 O6 C78 117.7(5) . . ?
O6 C78 H70 109.5 . . ?
O6 C78 H71 109.5 . . ?
H70 C78 H71 109.5 . . ?
O6 C78 H72 109.5 . . ?
H70 C78 H72 109.5 . . ?
H71 C78 H72 109.5 . . ?
C75 O7 C79 118.2(6) . . ?
O7 C79 H73 109.5 . . ?
O7 C79 H74 109.5 . . ?
H73 C79 H74 109.5 . . ?
O7 C79 H75 109.5 . . ?
H73 C79 H75 109.5 . . ?
H74 C79 H75 109.5 . . ?
C77 O8 C80 118.1(5) . . ?
O8 C80 H76 109.5 . . ?
O8 C80 H77 109.5 . . ?
H76 C80 H77 109.5 . . ?
O8 C80 H78 109.5 . . ?
H76 C80 H78 109.5 . . ?
H77 C80 H78 109.5 . . ?
C99 C81 N9 110.6(5) . . ?
C99 C81 C82 140.2(7) . . ?
N9 C81 C82 109.1(6) . . ?
C83 C82 C81 107.5(6) . . ?
C83 C82 H21 126.3 . . ?
C81 C82 H21 126.3 . . ?
C82 C83 C84 109.0(6) . . ?
C82 C83 H22 125.5 . . ?
C84 C83 H22 125.5 . . ?
C85 C84 N9 120.5(5) . . ?
C85 C84 C83 133.0(6) . . ?
N9 C84 C83 106.5(6) . . ?
C84 C85 C86 120.8(6) . . ?
C84 C85 C100 119.8(5) . . ?
C86 C85 C100 119.4(6) . . ?
C85 C86 N10 125.6(6) . . ?
C85 C86 C87 125.5(6) . . ?
N10 C86 C87 108.6(5) . . ?
C88 C87 C86 107.8(6) . . ?
C88 C87 H23 126.1 . . ?
C86 C87 H23 126.1 . . ?
C87 C88 C89 109.6(6) . . ?
C87 C88 H24 125.2 . . ?
C89 C88 H24 125.2 . . ?
C90 C89 C88 127.8(6) . . ?
C90 C89 N10 124.2(7) . . ?
C88 C89 N10 108.0(5) . . ?
C91 C90 C89 122.5(6) . . ?
C91 C90 C112 120.7(6) . . ?
C89 C90 C112 116.8(7) . . ?
C90 C91 N11 124.6(6) . . ?
C90 C91 C92 127.2(7) . . ?
N11 C91 C92 108.2(7) . . ?
C93 C92 C91 108.5(7) . . ?
C93 C92 H25 125.7 . . ?
C91 C92 H25 125.7 . . ?
C92 C93 C94 108.4(7) . . ?
C92 C93 H26 125.8 . . ?
C94 C93 H26 125.8 . . ?
C95 C94 N11 125.4(6) . . ?
C95 C94 C93 125.2(7) . . ?
N11 C94 C93 109.3(7) . . ?
C94 C95 C96 121.3(7) . . ?
C94 C95 C106 121.0(6) . . ?
C96 C95 C106 117.7(7) . . ?
N12 C96 C95 118.5(7) . . ?
N12 C96 C97 108.9(6) . . ?
C95 C96 C97 132.6(7) . . ?
C98 C97 C96 108.2(7) . . ?
C98 C97 H27 125.9 . . ?
C96 C97 H27 125.9 . . ?
C97 C98 C99 106.6(7) . . ?
C97 C98 H28 126.7 . . ?
C99 C98 H28 126.7 . . ?
C81 C99 N12 111.9(6) . . ?
C81 C99 C98 139.0(7) . . ?
N12 C99 C98 109.0(6) . . ?
C81 N9 C84 107.9(5) . . ?
C81 N9 Si3 118.0(4) . . ?
C84 N9 Si3 132.3(5) . . ?
C86 N10 C89 106.0(5) . . ?
C86 N10 Si3 126.4(4) . . ?
C89 N10 Si3 126.6(4) . . ?
C94 N11 C91 105.6(5) . . ?
C94 N11 Si3 126.9(5) . . ?
C91 N11 Si3 126.6(5) . . ?
C96 N12 C99 107.2(6) . . ?
C96 N12 Si3 133.8(5) . . ?
C99 N12 Si3 117.1(4) . . ?
O9 Si3 N9 103.0(2) . . ?
O9 Si3 N12 103.4(2) . . ?
N9 Si3 N12 80.1(2) . . ?
O9 Si3 N11 103.0(2) . . ?
N9 Si3 N11 153.2(2) . . ?
N12 Si3 N11 87.5(3) . . ?
O9 Si3 N10 100.7(2) . . ?
N9 Si3 N10 88.3(2) . . ?
N12 Si3 N10 155.1(2) . . ?
N11 Si3 N10 93.4(3) . . ?
Si3 O9 H117 109.5 . . ?
C101 C100 C105 115.5(6) . . ?
C101 C100 C85 123.8(6) . . ?
C105 C100 C85 120.8(6) . . ?
F21 C101 C102 117.9(5) . . ?
F21 C101 C100 119.4(6) . . ?
C102 C101 C100 122.7(6) . . ?
F22 C102 C101 120.7(6) . . ?
F22 C102 C103 119.1(6) . . ?
C101 C102 C103 120.2(6) . . ?
F23 C103 C102 120.8(6) . . ?
F23 C103 C104 120.7(6) . . ?
C102 C103 C104 118.5(6) . . ?
C105 C104 F24 120.7(6) . . ?
C105 C104 C103 120.4(6) . . ?
F24 C104 C103 118.9(6) . . ?
C104 C105 F25 118.6(6) . . ?
C104 C105 C100 122.7(6) . . ?
F25 C105 C100 118.7(6) . . ?
C107 C106 C111 113.3(9) . . ?
C107 C106 C95 124.1(9) . . ?
C111 C106 C95 122.5(7) . . ?
C106 C107 F26 118.4(9) . . ?
C106 C107 C108 126.0(12) . . ?
F26 C107 C108 115.6(11) . . ?
F27 C108 C109 124.3(12) . . ?
F27 C108 C107 120.8(14) . . ?
C109 C108 C107 114.9(12) . . ?
C110 C109 F28 124.1(13) . . ?
C110 C109 C108 121.5(11) . . ?
F28 C109 C108 114.5(13) . . ?
C109 C110 F29 117.4(10) . . ?
C109 C110 C111 120.0(11) . . ?
F29 C110 C111 122.7(11) . . ?
F30 C111 C110 116.8(8) . . ?
F30 C111 C106 118.9(7) . . ?
C110 C111 C106 124.3(9) . . ?
C117 C112 C113 116.4(7) . . ?
C117 C112 C90 123.4(6) . . ?
C113 C112 C90 120.2(6) . . ?
O10 C113 C114 123.6(7) . . ?
O10 C113 C112 114.7(7) . . ?
C114 C113 C112 121.6(7) . . ?
C115 C114 C113 118.6(7) . . ?
C115 C114 H29 120.7 . . ?
C113 C114 H29 120.7 . . ?
O11 C115 C114 113.9(8) . . ?
O11 C115 C116 124.7(9) . . ?
C114 C115 C116 121.5(7) . . ?
C117 C116 C115 119.5(8) . . ?
C117 C116 H30 120.3 . . ?
C115 C116 H30 120.3 . . ?
O12 C117 C116 123.3(8) . . ?
O12 C117 C112 114.3(7) . . ?
C116 C117 C112 122.3(8) . . ?
C113 O10 C118 116.7(7) . . ?
O10 C118 H79 109.5 . . ?
O10 C118 H80 109.5 . . ?
H79 C118 H80 109.5 . . ?
O10 C118 H81 109.5 . . ?
H79 C118 H81 109.5 . . ?
H80 C118 H81 109.5 . . ?
C119 O11 C115 117.6(10) . . ?
O11 C119 H82 109.5 . . ?
O11 C119 H83 109.5 . . ?
H82 C119 H83 109.5 . . ?
O11 C119 H84 109.5 . . ?
H82 C119 H84 109.5 . . ?
H83 C119 H84 109.5 . . ?
C117 O12 C120 115.0(8) . . ?
O12 C120 H85 109.5 . . ?
O12 C120 H86 109.5 . . ?
H85 C120 H86 109.5 . . ?
O12 C120 H87 109.5 . . ?
H85 C120 H87 109.5 . . ?
H86 C120 H87 109.5 . . ?
C139 C121 N13 110.7(5) . . ?
C139 C121 C122 140.0(6) . . ?
N13 C121 C122 109.2(6) . . ?
C123 C122 C121 107.9(6) . . ?
C123 C122 H31 126.1 . . ?
C121 C122 H31 126.1 . . ?
C122 C123 C124 107.0(6) . . ?
C122 C123 H32 126.5 . . ?
C124 C123 H32 126.5 . . ?
N13 C124 C125 118.8(6) . . ?
N13 C124 C123 109.2(6) . . ?
C125 C124 C123 132.0(7) . . ?
C126 C125 C124 121.1(7) . . ?
C126 C125 C140 120.9(6) . . ?
C124 C125 C140 117.9(6) . . ?
C125 C126 N14 125.8(6) . . ?
C125 C126 C127 125.8(6) . . ?
N14 C126 C127 108.5(5) . . ?
C128 C127 C126 108.6(6) . . ?
C128 C127 H33 125.7 . . ?
C126 C127 H33 125.7 . . ?
C127 C128 C129 108.0(6) . . ?
C127 C128 H34 126.0 . . ?
C129 C128 H34 126.0 . . ?
C130 C129 N14 124.8(6) . . ?
C130 C129 C128 125.7(6) . . ?
N14 C129 C128 109.4(5) . . ?
C129 C130 C131 121.3(6) . . ?
C129 C130 C152 120.3(6) . . ?
C131 C130 C152 118.3(6) . . ?
C130 C131 N15 124.0(6) . . ?
C130 C131 C132 125.3(6) . . ?
N15 C131 C132 110.6(6) . . ?
C133 C132 C131 106.6(6) . . ?
C133 C132 H35 126.7 . . ?
C131 C132 H35 126.7 . . ?
C132 C133 C134 108.8(6) . . ?
C132 C133 H36 125.6 . . ?
C134 C133 H36 125.6 . . ?
C135 C134 C133 125.9(7) . . ?
C135 C134 N15 125.1(6) . . ?
C133 C134 N15 109.0(5) . . ?
C134 C135 C136 121.3(7) . . ?
C134 C135 C146 119.4(6) . . ?
C136 C135 C146 119.2(6) . . ?
N16 C136 C135 119.7(6) . . ?
N16 C136 C137 108.1(6) . . ?
C135 C136 C137 132.2(7) . . ?
C138 C137 C136 108.0(7) . . ?
C138 C137 H37 126.0 . . ?
C136 C137 H37 126.0 . . ?
C137 C138 C139 106.5(6) . . ?
C137 C138 H38 126.8 . . ?
C139 C138 H38 126.8 . . ?
N16 C139 C121 111.5(6) . . ?
N16 C139 C138 109.9(6) . . ?
C121 C139 C138 138.4(6) . . ?
C124 N13 C121 106.8(5) . . ?
C124 N13 Si4 133.5(5) . . ?
C121 N13 Si4 117.4(5) . . ?
C129 N14 C126 105.6(5) . . ?
C129 N14 Si4 127.1(4) . . ?
C126 N14 Si4 126.1(4) . . ?
C131 N15 C134 105.0(5) . . ?
C131 N15 Si4 127.7(5) . . ?
C134 N15 Si4 126.3(4) . . ?
C136 N16 C139 107.5(5) . . ?
C136 N16 Si4 133.1(4) . . ?
C139 N16 Si4 117.3(5) . . ?
O13 Si4 N13 102.5(2) . . ?
O13 Si4 N16 103.6(2) . . ?
N13 Si4 N16 80.4(2) . . ?
O13 Si4 N15 102.5(2) . . ?
N13 Si4 N15 154.2(2) . . ?
N16 Si4 N15 88.0(2) . . ?
O13 Si4 N14 102.9(2) . . ?
N13 Si4 N14 87.8(2) . . ?
N16 Si4 N14 152.7(2) . . ?
N15 Si4 N14 92.4(2) . . ?
Si4 O13 H118 109.5 . . ?
C141 C140 C145 115.0(7) . . ?
C141 C140 C125 122.7(7) . . ?
C145 C140 C125 122.1(6) . . ?
F31 C141 C142 117.9(8) . . ?
F31 C141 C140 118.5(7) . . ?
C142 C141 C140 123.7(9) . . ?
F32 C142 C141 120.4(10) . . ?
F32 C142 C143 120.3(8) . . ?
C141 C142 C143 119.3(9) . . ?
F33 C143 C144 122.4(10) . . ?
F33 C143 C142 119.1(9) . . ?
C144 C143 C142 118.4(8) . . ?
F34 C144 C145 119.8(9) . . ?
F34 C144 C143 119.3(8) . . ?
C145 C144 C143 120.9(9) . . ?
C144 C145 F35 119.2(8) . . ?
C144 C145 C140 122.7(8) . . ?
F35 C145 C140 118.1(7) . . ?
C147 C146 C151 114.9(7) . . ?
C147 C146 C135 121.4(6) . . ?
C151 C146 C135 123.6(7) . . ?
F36 C147 C148 118.6(7) . . ?
F36 C147 C146 119.1(7) . . ?
C148 C147 C146 122.4(7) . . ?
F37 C148 C149 119.8(7) . . ?
F37 C148 C147 120.1(7) . . ?
C149 C148 C147 120.1(8) . . ?
F38 C149 C150 119.8(7) . . ?
F38 C149 C148 120.1(7) . . ?
C150 C149 C148 120.0(7) . . ?
F39 C150 C149 120.0(7) . . ?
F39 C150 C151 121.1(6) . . ?
C149 C150 C151 118.8(6) . . ?
F40 C151 C150 117.9(6) . . ?
F40 C151 C146 118.4(6) . . ?
C150 C151 C146 123.7(7) . . ?
C157 C152 C153 116.4(5) . . ?
C157 C152 C130 122.3(5) . . ?
C153 C152 C130 121.2(6) . . ?
O14 C153 C154 123.8(6) . . ?
O14 C153 C152 113.9(5) . . ?
C154 C153 C152 122.2(6) . . ?
C153 C154 C155 119.1(6) . . ?
C153 C154 H39 120.5 . . ?
C155 C154 H39 120.5 . . ?
O15 C155 C154 115.2(6) . . ?
O15 C155 C156 123.5(6) . . ?
C154 C155 C156 121.3(6) . . ?
C157 C156 C155 117.5(6) . . ?
C157 C156 H40 121.2 . . ?
C155 C156 H40 121.2 . . ?
O16 C157 C156 122.3(6) . . ?
O16 C157 C152 114.3(5) . . ?
C156 C157 C152 123.4(6) . . ?
C153 O14 C158 117.2(5) . . ?
O14 C158 H88 109.5 . . ?
O14 C158 H89 109.5 . . ?
H88 C158 H89 109.5 . . ?
O14 C158 H90 109.5 . . ?
H88 C158 H90 109.5 . . ?
H89 C158 H90 109.5 . . ?
C155 O15 C159 117.0(5) . . ?
O15 C159 H91 109.5 . . ?
O15 C159 H92 109.5 . . ?
H91 C159 H92 109.5 . . ?
O15 C159 H93 109.5 . . ?
H91 C159 H93 109.5 . . ?
H92 C159 H93 109.5 . . ?
C157 O16 C160 117.0(5) . . ?
O16 C160 H94 109.5 . . ?
O16 C160 H95 109.5 . . ?
H94 C160 H95 109.5 . . ?
O16 C160 H96 109.5 . . ?
H94 C160 H96 109.5 . . ?
H95 C160 H96 109.5 . . ?
N17 C161 C179 110.9(6) . . ?
N17 C161 C162 109.4(6) . . ?
C179 C161 C162 139.7(6) . . ?
C163 C162 C161 106.8(6) . . ?
C163 C162 H41 126.6 . . ?
C161 C162 H41 126.6 . . ?
C162 C163 C164 108.5(6) . . ?
C162 C163 H42 125.8 . . ?
C164 C163 H42 125.8 . . ?
N17 C164 C165 118.6(6) . . ?
N17 C164 C163 108.5(6) . . ?
C165 C164 C163 132.8(7) . . ?
C166 C165 C164 121.3(6) . . ?
C166 C165 C181 118.2(6) . . ?
C164 C165 C181 120.3(6) . . ?
C165 C166 N18 126.4(6) . . ?
C165 C166 C167 125.7(6) . . ?
N18 C166 C167 107.9(5) . . ?
C168 C167 C166 108.2(6) . . ?
C168 C167 H43 125.9 . . ?
C166 C167 H43 125.9 . . ?
C167 C168 C169 108.2(6) . . ?
C167 C168 H44 125.9 . . ?
C169 C168 H44 125.9 . . ?
N18 C169 C168 109.6(6) . . ?
N18 C169 C170 125.0(6) . . ?
C168 C169 C170 125.3(5) . . ?
C171 C170 C169 120.4(5) . . ?
C171 C170 C193 122.8(6) . . ?
C169 C170 C193 116.8(6) . . ?
C170 C171 N19 125.3(6) . . ?
C170 C171 C172 125.1(6) . . ?
N19 C171 C172 109.6(6) . . ?
C173 C172 C171 108.1(6) . . ?
C173 C172 H45 126.0 . . ?
C171 C172 H45 126.0 . . ?
C172 C173 C174 107.5(6) . . ?
C172 C173 H46 126.2 . . ?
C174 C173 H46 126.2 . . ?
C175 C174 N19 126.3(6) . . ?
C175 C174 C173 125.3(7) . . ?
N19 C174 C173 108.4(6) . . ?
C176 C175 C174 122.2(7) . . ?
C176 C175 C187 117.8(6) . . ?
C174 C175 C187 120.0(7) . . ?
C175 C176 N20 118.5(6) . . ?
C175 C176 C177 133.4(7) . . ?
N20 C176 C177 108.1(6) . . ?
C178 C177 C176 108.3(7) . . ?
C178 C177 H47 125.8 . . ?
C176 C177 H47 125.8 . . ?
C177 C178 C179 106.4(6) . . ?
C177 C178 H48 126.8 . . ?
C179 C178 H48 126.8 . . ?
N20 C179 C161 111.2(6) . . ?
N20 C179 C178 109.9(6) . . ?
C161 C179 C178 138.8(6) . . ?
C161 N17 C164 106.8(5) . . ?
C161 N17 Si5 117.5(5) . . ?
C164 N17 Si5 133.8(4) . . ?
C169 N18 C166 106.1(5) . . ?
C169 N18 Si5 126.7(5) . . ?
C166 N18 Si5 125.8(4) . . ?
C171 N19 C174 106.4(5) . . ?
C171 N19 Si5 127.4(5) . . ?
C174 N19 Si5 125.1(4) . . ?
C179 N20 C176 107.3(5) . . ?
C179 N20 Si5 117.8(5) . . ?
C176 N20 Si5 133.0(4) . . ?
O26 Si5 N20 104.1(2) . . ?
O26 Si5 N18 100.6(2) . . ?
N20 Si5 N18 154.3(2) . . ?
O26 Si5 N17 102.2(2) . . ?
N20 Si5 N17 80.0(2) . . ?
N18 Si5 N17 88.2(2) . . ?
O26 Si5 N19 102.9(2) . . ?
N20 Si5 N19 88.7(2) . . ?
N18 Si5 N19 92.4(2) . . ?
N17 Si5 N19 154.3(2) . . ?
Si5 O26 H119 109.5 . . ?
C186 C181 C182 117.1(7) . . ?
C186 C181 C165 122.4(6) . . ?
C182 C181 C165 120.5(6) . . ?
F41 C182 C181 119.7(7) . . ?
F41 C182 C183 118.6(6) . . ?
C181 C182 C183 121.6(7) . . ?
C184 C183 F42 121.9(9) . . ?
C184 C183 C182 118.7(8) . . ?
F42 C183 C182 119.3(9) . . ?
C183 C184 C185 122.4(9) . . ?
C183 C184 F43 118.8(10) . . ?
C185 C184 F43 118.7(10) . . ?
F44 C185 C184 121.4(8) . . ?
F44 C185 C186 120.1(8) . . ?
C184 C185 C186 118.4(8) . . ?
F45 C186 C181 119.4(7) . . ?
F45 C186 C185 118.9(7) . . ?
C181 C186 C185 121.6(7) . . ?
C188 C187 C192 116.7(8) . . ?
C188 C187 C175 122.5(7) . . ?
C192 C187 C175 120.8(8) . . ?
F46 C188 C187 120.4(7) . . ?
F46 C188 C189 116.1(8) . . ?
C187 C188 C189 123.5(9) . . ?
F47 C189 C190 119.0(9) . . ?
F47 C189 C188 122.3(9) . . ?
C190 C189 C188 118.7(9) . . ?
C191 C190 F48 118.7(12) . . ?
C191 C190 C189 121.1(11) . . ?
F48 C190 C189 120.1(11) . . ?
F49 C191 C190 122.7(13) . . ?
F49 C191 C192 118.2(12) . . ?
C190 C191 C192 119.2(11) . . ?
F50 C192 C187 120.8(9) . . ?
F50 C192 C191 118.4(10) . . ?
C187 C192 C191 120.8(10) . . ?
C198 C193 C194 116.6(5) . . ?
C198 C193 C170 123.6(5) . . ?
C194 C193 C170 119.8(5) . . ?
O17 C194 C195 123.5(5) . . ?
O17 C194 C193 115.1(5) . . ?
C195 C194 C193 121.4(6) . . ?
C196 C195 C194 118.6(6) . . ?
C196 C195 H49 120.7 . . ?
C194 C195 H49 120.7 . . ?
O18 C196 C197 124.0(6) . . ?
O18 C196 C195 114.6(6) . . ?
C197 C196 C195 121.4(6) . . ?
C196 C197 C198 118.6(6) . . ?
C196 C197 H50 120.7 . . ?
C198 C197 H50 120.7 . . ?
O19 C198 C193 114.5(5) . . ?
O19 C198 C197 122.5(5) . . ?
C193 C198 C197 122.9(6) . . ?
C194 O17 C199 117.7(5) . . ?
O17 C199 H97 109.5 . . ?
O17 C199 H98 109.5 . . ?
H97 C199 H98 109.5 . . ?
O17 C199 H99 109.5 . . ?
H97 C199 H99 109.5 . . ?
H98 C199 H99 109.5 . . ?
C196 O18 C200 117.6(5) . . ?
O18 C200 H100 109.5 . . ?
O18 C200 H101 109.5 . . ?
H100 C200 H101 109.5 . . ?
O18 C200 H102 109.5 . . ?
H100 C200 H102 109.5 . . ?
H101 C200 H102 109.5 . . ?
C198 O19 C201 116.2(5) . . ?
O19 C201 H103 109.5 . . ?
O19 C201 H104 109.5 . . ?
H103 C201 H104 109.5 . . ?
O19 C201 H105 109.5 . . ?
H103 C201 H105 109.5 . . ?
H104 C201 H105 109.5 . . ?
N21 C202 C220 110.1(6) . . ?
N21 C202 C203 109.9(9) . . ?
C220 C202 C203 140.0(9) . . ?
C202 C203 C204 106.9(8) . . ?
C202 C203 H51 126.5 . . ?
C204 C203 H51 126.5 . . ?
C205 C204 C203 107.1(9) . . ?
C205 C204 H52 126.4 . . ?
C203 C204 H52 126.4 . . ?
C206 C205 N21 119.3(7) . . ?
C206 C205 C204 131.4(10) . . ?
N21 C205 C204 109.2(9) . . ?
C205 C206 C207 120.8(10) . . ?
C205 C206 C251 104.3(11) . . ?
C207 C206 C251 125.3(10) . . ?
C205 C206 C245 123.9(8) . . ?
C207 C206 C245 114.9(10) . . ?
C206 C207 N22 125.4(10) . . ?
C206 C207 C208 124.9(10) . . ?
N22 C207 C208 109.6(7) . . ?
C209 C208 C207 107.7(9) . . ?
C209 C208 H53 126.2 . . ?
C207 C208 H53 126.2 . . ?
C208 C209 C210 108.0(9) . . ?
C208 C209 H54 126.0 . . ?
C210 C209 H54 126.0 . . ?
C211 C210 N22 125.3(8) . . ?
C211 C210 C209 125.6(7) . . ?
N22 C210 C209 109.2(7) . . ?
C210 C211 C212 122.0(7) . . ?
C210 C211 C227 118.3(7) . . ?
C212 C211 C227 119.7(6) . . ?
N23 C212 C211 123.1(6) . . ?
N23 C212 C213 110.8(7) . . ?
C211 C212 C213 126.0(6) . . ?
C214 C213 C212 108.4(6) . . ?
C214 C213 H55 125.8 . . ?
C212 C213 H55 125.8 . . ?
C213 C214 C215 106.4(7) . . ?
C213 C214 H56 126.8 . . ?
C215 C214 H56 126.8 . . ?
C216 C215 N23 125.9(6) . . ?
C216 C215 C214 124.1(8) . . ?
N23 C215 C214 110.0(6) . . ?
C217 C216 C215 121.1(8) . . ?
C217 C216 C221 117.9(7) . . ?
C215 C216 C221 120.9(6) . . ?
C216 C217 N24 118.9(7) . . ?
C216 C217 C218 132.3(9) . . ?
N24 C217 C218 108.9(7) . . ?
C219 C218 C217 107.7(8) . . ?
C219 C218 H57 126.1 . . ?
C217 C218 H57 126.1 . . ?
C218 C219 C220 107.2(6) . . ?
C218 C219 H58 126.4 . . ?
C220 C219 H58 126.4 . . ?
N24 C220 C202 111.8(7) . . ?
N24 C220 C219 109.0(8) . . ?
C202 C220 C219 139.2(7) . . ?
C202 N21 C205 106.8(6) . . ?
C202 N21 Si6 117.6(6) . . ?
C205 N21 Si6 133.3(7) . . ?
C210 N22 C207 105.5(7) . . ?
C210 N22 Si6 126.2(6) . . ?
C207 N22 Si6 127.3(5) . . ?
C212 N23 C215 104.4(6) . . ?
C212 N23 Si6 128.2(6) . . ?
C215 N23 Si6 126.3(4) . . ?
C220 N24 C217 107.2(6) . . ?
C220 N24 Si6 116.8(6) . . ?
C217 N24 Si6 133.0(5) . . ?
O20 Si6 N23 101.1(3) . . ?
O20 Si6 N22 103.4(3) . . ?
N23 Si6 N22 92.4(3) . . ?
O20 Si6 N24 101.7(3) . . ?
N23 Si6 N24 88.4(3) . . ?
N22 Si6 N24 154.2(3) . . ?
O20 Si6 N21 104.3(3) . . ?
N23 Si6 N21 153.7(3) . . ?
N22 Si6 N21 88.2(3) . . ?
N24 Si6 N21 80.0(3) . . ?
Si6 O20 H120 109.5 . . ?
C226 C221 C222 116.9(8) . . ?
C226 C221 C216 122.8(7) . . ?
C222 C221 C216 120.4(7) . . ?
F51 C222 C221 121.1(8) . . ?
F51 C222 C223 117.0(7) . . ?
C221 C222 C223 121.8(7) . . ?
F52 C223 C224 120.6(8) . . ?
F52 C223 C222 119.4(7) . . ?
C224 C223 C222 120.1(8) . . ?
F53 C224 C223 122.7(8) . . ?
F53 C224 C225 118.6(8) . . ?
C223 C224 C225 118.7(9) . . ?
F54 C225 C226 121.5(9) . . ?
F54 C225 C224 119.4(10) . . ?
C226 C225 C224 119.1(8) . . ?
C221 C226 C225 123.5(8) . . ?
C221 C226 F55 119.6(8) . . ?
C225 C226 F55 116.9(8) . . ?
C228 C227 C232 118.3(6) . . ?
C228 C227 C211 122.1(6) . . ?
C232 C227 C211 119.7(7) . . ?
C227 C228 O21 114.9(6) . . ?
C227 C228 C229 123.5(6) . . ?
O21 C228 C229 121.6(7) . . ?
C228 C229 C230 116.5(6) . . ?
C228 C229 H59 121.8 . . ?
C230 C229 H59 121.8 . . ?
C231 C230 O22 117.0(6) . . ?
C231 C230 C229 121.7(6) . . ?
O22 C230 C229 121.4(6) . . ?
C230 C231 C232 120.4(7) . . ?
C230 C231 H60 119.8 . . ?
C232 C231 H60 119.8 . . ?
O23 C232 C231 125.6(7) . . ?
O23 C232 C227 114.6(6) . . ?
C231 C232 C227 119.7(7) . . ?
C228 O21 C233 116.9(6) . . ?
O21 C233 H106 109.5 . . ?
O21 C233 H107 109.5 . . ?
H106 C233 H107 109.5 . . ?
O21 C233 H108 109.5 . . ?
H106 C233 H108 109.5 . . ?
H107 C233 H108 109.5 . . ?
C230 O22 C234 118.0(5) . . ?
O22 C234 H109 109.5 . . ?
O22 C234 H110 109.5 . . ?
H109 C234 H110 109.5 . . ?
O22 C234 H111 109.5 . . ?
H109 C234 H111 109.5 . . ?
H110 C234 H111 109.5 . . ?
C232 O23 C244 117.1(6) . . ?
C278 C277 C276 113.4(11) . . ?
C278 C277 H121 108.9 . . ?
C276 C277 H121 108.9 . . ?
C278 C277 H122 108.9 . . ?
C276 C277 H122 108.9 . . ?
H121 C277 H122 107.7 . . ?
C275 C276 C277 111.3(11) . . ?
C275 C276 H123 109.4 . . ?
C277 C276 H123 109.4 . . ?
C275 C276 H124 109.4 . . ?
C277 C276 H124 109.4 . . ?
H123 C276 H124 108.0 . . ?
C276 C275 C274 112.4(12) . . ?
C276 C275 H125 109.1 . . ?
C274 C275 H125 109.1 . . ?
C276 C275 H126 109.1 . . ?
C274 C275 H126 109.1 . . ?
H125 C275 H126 107.9 . . ?
C275 C274 C273 110.8(13) . . ?
C275 C274 H127 109.5 . . ?
C273 C274 H127 109.5 . . ?
C275 C274 H128 109.5 . . ?
C273 C274 H128 109.5 . . ?
H127 C274 H128 108.1 . . ?
O23 C244 H112 109.5 . . ?
O23 C244 H113 109.5 . . ?
H112 C244 H113 109.5 . . ?
O23 C244 H114 109.5 . . ?
H112 C244 H114 109.5 . . ?
H113 C244 H114 109.5 . . ?
C274 C273 H129 109.5 . . ?
C274 C273 H130 109.5 . . ?
H129 C273 H130 109.5 . . ?
C274 C273 H131 109.5 . . ?
H129 C273 H131 109.5 . . ?
H130 C273 H131 109.5 . . ?
C246 C245 C250 120.0 . . ?
C246 C245 C206 124.2(7) . . ?
C250 C245 C206 115.8(7) . . ?
F56 C246 C245 121.8(7) . . ?
F56 C246 C247 117.8(7) . . ?
C245 C246 C247 120.0 . . ?
F57 C247 C248 119.2(8) . . ?
F57 C247 C246 120.7(8) . . ?
C248 C247 C246 120.0 . . ?
F58 C248 C249 120.3(9) . . ?
F58 C248 C247 119.7(9) . . ?
C249 C248 C247 120.0 . . ?
F59 C249 C250 121.8(9) . . ?
F59 C249 C248 118.2(9) . . ?
C250 C249 C248 120.0 . . ?
F60 C250 C249 119.7(8) . . ?
F60 C250 C245 120.3(8) . . ?
C249 C250 C245 120.0 . . ?
C252 C251 C256 120.0 . . ?
C252 C251 C206 140.6(14) . . ?
C256 C251 C206 99.3(14) . . ?
F61 C252 C251 125.2(16) . . ?
F61 C252 C253 114.8(16) . . ?
C251 C252 C253 120.0 . . ?
C254 C253 C252 120.0 . . ?
C254 C253 F62 116.4(16) . . ?
C252 C253 F62 123.5(16) . . ?
F63 C254 C253 122.4(18) . . ?
F63 C254 C255 117.6(18) . . ?
C253 C254 C255 120.0 . . ?
F65 C255 C254 122.9(19) . . ?
F65 C255 C256 116.1(19) . . ?
C254 C255 C256 120.0 . . ?
F64 C256 C255 118.5(17) . . ?
F64 C256 C251 121.1(17) . . ?
C255 C256 C251 120.0 . . ?
C267 C268 C269 132(3) . . ?
C267 C268 H132 104.2 . . ?
C269 C268 H132 104.2 . . ?
C267 C268 H133 104.2 . . ?
C269 C268 H133 104.2 . . ?
H132 C268 H133 105.5 . . ?
C270 C269 C268 132(3) . . ?
C270 C269 H134 104.4 . . ?
C268 C269 H134 104.4 . . ?
C270 C269 H135 104.4 . . ?
C268 C269 H135 104.4 . . ?
H134 C269 H135 105.6 . . ?
C269 C270 C271 130(2) . . ?
C269 C270 H136 104.8 . . ?
C271 C270 H136 104.8 . . ?
C269 C270 H137 104.8 . . ?
C271 C270 H137 104.8 . . ?
H136 C270 H137 105.8 . . ?
C272 C271 C270 131(3) . . ?
C272 C271 H138 104.5 . . ?
C270 C271 H138 104.5 . . ?
C272 C271 H139 104.5 . . ?
C270 C271 H139 104.5 . . ?
H138 C271 H139 105.7 . . ?
C271 C272 H140 109.5 . . ?
C271 C272 H141 109.5 . . ?
H140 C272 H141 109.5 . . ?
C271 C272 H142 109.5 . . ?
H140 C272 H142 109.5 . . ?
H141 C272 H142 109.5 . . ?
C268 C267 H185 109.5 . . ?
C268 C267 H186 109.5 . . ?
H185 C267 H186 109.5 . . ?
C268 C267 H187 109.5 . . ?
H185 C267 H187 109.5 . . ?
H186 C267 H187 109.5 . . ?
C265 C266 H143 109.5 . . ?
C265 C266 H144 109.5 . . ?
H143 C266 H144 109.5 . . ?
C265 C266 H145 109.5 . . ?
H143 C266 H145 109.5 . . ?
H144 C266 H145 109.5 . . ?
C264 C265 C266 119(2) . . ?
C264 C265 H146 107.5 . . ?
C266 C265 H146 107.5 . . ?
C264 C265 H147 107.5 . . ?
C266 C265 H147 107.5 . . ?
H146 C265 H147 107.0 . . ?
C263 C262 C261 127(2) . . ?
C263 C262 H148 105.4 . . ?
C261 C262 H148 105.4 . . ?
C263 C262 H149 105.4 . . ?
C261 C262 H149 105.4 . . ?
H148 C262 H149 106.0 . . ?
C262 C263 C264 129(2) . . ?
C262 C263 H150 105.0 . . ?
C264 C263 H150 105.0 . . ?
C262 C263 H151 105.0 . . ?
C264 C263 H151 105.0 . . ?
H150 C263 H151 105.9 . . ?
C263 C264 C265 128(2) . . ?
C263 C264 H152 105.4 . . ?
C265 C264 H152 105.4 . . ?
C263 C264 H153 105.4 . . ?
C265 C264 H153 105.4 . . ?
H152 C264 H153 106.0 . . ?
C262 C261 H154 109.5 . . ?
C262 C261 H155 109.5 . . ?
H154 C261 H155 109.5 . . ?
C262 C261 H156 109.5 . . ?
H154 C261 H156 109.5 . . ?
H155 C261 H156 109.5 . . ?
C286 C287 C288 114.2(13) . . ?
C286 C287 H157 108.7 . . ?
C288 C287 H157 108.7 . . ?
C286 C287 H158 108.7 . . ?
C288 C287 H158 108.7 . . ?
H157 C287 H158 107.6 . . ?
C287 C288 C289 111.0(14) . . ?
C287 C288 H159 109.4 . . ?
C289 C288 H159 109.4 . . ?
C287 C288 H160 109.4 . . ?
C289 C288 H160 109.4 . . ?
H159 C288 H160 108.0 . . ?
C290 C289 C288 112.5(15) . . ?
C290 C289 H161 109.1 . . ?
C288 C289 H161 109.1 . . ?
C290 C289 H162 109.1 . . ?
C288 C289 H162 109.1 . . ?
H161 C289 H162 107.8 . . ?
C286 C285 H163 109.5 . . ?
C286 C285 H164 109.5 . . ?
H163 C285 H164 109.5 . . ?
C286 C285 H165 109.5 . . ?
H163 C285 H165 109.5 . . ?
H164 C285 H165 109.5 . . ?
C289 C290 H166 109.5 . . ?
C289 C290 H167 109.5 . . ?
H166 C290 H167 109.5 . . ?
C289 C290 H168 109.5 . . ?
H166 C290 H168 109.5 . . ?
H167 C290 H168 109.5 . . ?
C287 C286 C285 113.9(15) . . ?
C287 C286 H169 108.8 . . ?
C285 C286 H169 108.8 . . ?
C287 C286 H170 108.8 . . ?
C285 C286 H170 108.8 . . ?
H169 C286 H170 107.7 . . ?
H195 O27 H196 145(5) . . ?
H191 O28 H192 101(7) . . ?
H197 O29 H198 91.90(13) . . ?
H194 O30 H193 105(8) . . ?
C293 C292 C291 120(2) . . ?
C293 C292 H171 107.2 . . ?
C291 C292 H171 107.2 . . ?
C293 C292 H172 107.2 . . ?
C291 C292 H172 107.2 . . ?
H171 C292 H172 106.9 . . ?
C295 C296 H188 109.5 . . ?
C295 C296 H189 109.5 . . ?
H188 C296 H189 109.5 . . ?
C295 C296 H190 109.5 . . ?
H188 C296 H190 109.5 . . ?
H189 C296 H190 109.5 . . ?
C292 C293 C294 122(2) . . ?
C292 C293 H173 106.8 . . ?
C294 C293 H173 106.8 . . ?
C292 C293 H174 106.8 . . ?
C294 C293 H174 106.8 . . ?
H173 C293 H174 106.6 . . ?
C293 C294 C295 109.6(14) . . ?
C293 C294 H175 109.7 . . ?
C295 C294 H175 109.7 . . ?
C293 C294 H176 109.7 . . ?
C295 C294 H176 109.7 . . ?
H175 C294 H176 108.2 . . ?
C296 C295 C294 109.6(12) . . ?
C296 C295 H177 109.8 . . ?
C294 C295 H177 109.8 . . ?
C296 C295 H178 109.8 . . ?
C294 C295 H178 109.8 . . ?
H177 C295 H178 108.2 . . ?
C292 C291 H179 109.5 . . ?
C292 C291 H180 109.5 . . ?
H179 C291 H180 109.5 . . ?
C292 C291 H181 109.5 . . ?
H179 C291 H181 109.5 . . ?
H180 C291 H181 109.5 . . ?
C277 C278 H182 109.5 . . ?
C277 C278 H183 109.5 . . ?
H182 C278 H183 109.5 . . ?
C277 C278 H184 109.5 . . ?
H182 C278 H184 109.5 . . ?
H183 C278 H184 109.5 . . ?
C298 C297 H199 109.5 . . ?
C298 C297 H200 109.5 . . ?
H199 C297 H200 109.5 . . ?
C298 C297 H201 109.5 . . ?
H199 C297 H201 109.5 . . ?
H200 C297 H201 109.5 . . ?
C297 C298 C299 167(5) . . ?
C297 C298 H202 94.0 . . ?
C299 C298 H202 94.0 . . ?
C297 C298 H203 94.0 . . ?
C299 C298 H203 94.0 . . ?
H202 C298 H203 103.1 . . ?
C298 C299 C300 162(4) . . ?
C298 C299 H204 95.7 . . ?
C300 C299 H204 95.7 . . ?
C298 C299 H205 95.7 . . ?
C300 C299 H205 95.7 . . ?
H204 C299 H205 103.3 . . ?
C301 C300 C299 162(4) . . ?
C301 C300 H206 95.5 . . ?
C299 C300 H206 95.5 . . ?
C301 C300 H207 95.5 . . ?
C299 C300 H207 95.5 . . ?
H206 C300 H207 103.3 . . ?
C301 C302 H208 109.5 . . ?
C301 C302 H209 109.5 . . ?
H208 C302 H209 109.5 . . ?
C301 C302 H210 109.5 . . ?
H208 C302 H210 109.5 . . ?
H209 C302 H210 109.5 . . ?
C300 C301 C302 167(6) . . ?
C300 C301 H211 94.0 . . ?
C302 C301 H211 94.0 . . ?
C300 C301 H212 94.0 . . ?
C302 C301 H212 94.0 . . ?
H211 C301 H212 103.1 . . ?
C305 C304 C303 138(4) . . ?
C305 C304 H213 102.5 . . ?
C303 C304 H213 102.5 . . ?
C305 C304 H214 102.5 . . ?
C303 C304 H214 102.5 . . ?
H213 C304 H214 104.9 . . ?
C306 C307 C308 131(3) . . ?
C306 C307 H215 104.6 . . ?
C308 C307 H215 104.6 . . ?
C306 C307 H216 104.6 . . ?
C308 C307 H216 104.6 . . ?
H215 C307 H216 105.7 . . ?
C304 C305 C306 137(4) . . ?
C304 C305 H217 102.8 . . ?
C306 C305 H217 102.8 . . ?
C304 C305 H218 102.8 . . ?
C306 C305 H218 102.8 . . ?
H217 C305 H218 105.0 . . ?
C305 C306 C307 131(3) . . ?
C305 C306 H219 104.4 . . ?
C307 C306 H219 104.4 . . ?
C305 C306 H220 104.4 . . ?
C307 C306 H220 104.4 . . ?
H219 C306 H220 105.6 . . ?
C304 C303 H221 109.5 . . ?
C304 C303 H222 109.5 . . ?
H221 C303 H222 109.5 . . ?
C304 C303 H223 109.5 . . ?
H221 C303 H223 109.5 . . ?
H222 C303 H223 109.5 . . ?
C307 C308 H224 109.5 . . ?
C307 C308 H225 109.5 . . ?
H224 C308 H225 109.5 . . ?
C307 C308 H226 109.5 . . ?
H224 C308 H226 109.5 . . ?
H225 C308 H226 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
N1 C1 C2 C3 0.6(8) . . . . ?
C19 C1 C2 C3 -176.2(8) . . . . ?
C1 C2 C3 C4 -0.7(8) . . . . ?
C2 C3 C4 C5 -175.1(7) . . . . ?
C2 C3 C4 N1 0.5(7) . . . . ?
N1 C4 C5 C6 -1.7(9) . . . . ?
C3 C4 C5 C6 173.6(7) . . . . ?
N1 C4 C5 C20 -178.3(5) . . . . ?
C3 C4 C5 C20 -3.1(11) . . . . ?
C4 C5 C6 N2 2.2(10) . . . . ?
C20 C5 C6 N2 178.8(6) . . . . ?
C4 C5 C6 C7 -174.4(6) . . . . ?
C20 C5 C6 C7 2.2(10) . . . . ?
C5 C6 C7 C8 176.7(6) . . . . ?
N2 C6 C7 C8 -0.4(7) . . . . ?
C6 C7 C8 C9 0.4(7) . . . . ?
C7 C8 C9 C10 178.3(6) . . . . ?
C7 C8 C9 N2 -0.2(7) . . . . ?
N2 C9 C10 C11 3.9(9) . . . . ?
C8 C9 C10 C11 -174.4(6) . . . . ?
N2 C9 C10 C32 -175.9(5) . . . . ?
C8 C9 C10 C32 5.8(9) . . . . ?
C9 C10 C11 N3 -3.7(9) . . . . ?
C32 C10 C11 N3 176.2(5) . . . . ?
C9 C10 C11 C12 177.5(6) . . . . ?
C32 C10 C11 C12 -2.6(9) . . . . ?
C10 C11 C12 C13 179.7(6) . . . . ?
N3 C11 C12 C13 0.7(7) . . . . ?
C11 C12 C13 C14 -1.1(7) . . . . ?
C12 C13 C14 C15 -173.6(6) . . . . ?
C12 C13 C14 N3 1.1(7) . . . . ?
N3 C14 C15 C16 -2.8(10) . . . . ?
C13 C14 C15 C16 171.0(6) . . . . ?
N3 C14 C15 C26 179.9(5) . . . . ?
C13 C14 C15 C26 -6.3(9) . . . . ?
C14 C15 C16 N4 3.3(9) . . . . ?
C26 C15 C16 N4 -179.5(5) . . . . ?
C14 C15 C16 C17 -176.0(6) . . . . ?
C26 C15 C16 C17 1.2(10) . . . . ?
N4 C16 C17 C18 0.7(7) . . . . ?
C15 C16 C17 C18 -180.0(6) . . . . ?
C16 C17 C18 C19 -1.2(7) . . . . ?
N1 C1 C19 N4 -1.0(8) . . . . ?
C2 C1 C19 N4 175.8(8) . . . . ?
N1 C1 C19 C18 -173.3(7) . . . . ?
C2 C1 C19 C18 3.6(16) . . . . ?
C17 C18 C19 N4 1.3(7) . . . . ?
C17 C18 C19 C1 173.7(8) . . . . ?
C19 C1 N1 C4 177.6(5) . . . . ?
C2 C1 N1 C4 -0.3(7) . . . . ?
C19 C1 N1 Si1 11.7(7) . . . . ?
C2 C1 N1 Si1 -166.2(5) . . . . ?
C5 C4 N1 C1 176.3(6) . . . . ?
C3 C4 N1 C1 -0.1(7) . . . . ?
C5 C4 N1 Si1 -21.0(9) . . . . ?
C3 C4 N1 Si1 162.6(5) . . . . ?
C10 C9 N2 C6 -178.6(6) . . . . ?
C8 C9 N2 C6 0.0(6) . . . . ?
C10 C9 N2 Si1 -13.5(8) . . . . ?
C8 C9 N2 Si1 165.1(4) . . . . ?
C5 C6 N2 C9 -176.8(6) . . . . ?
C7 C6 N2 C9 0.3(6) . . . . ?
C5 C6 N2 Si1 17.7(9) . . . . ?
C7 C6 N2 Si1 -165.2(4) . . . . ?
C10 C11 N3 C14 -179.0(6) . . . . ?
C12 C11 N3 C14 0.0(6) . . . . ?
C10 C11 N3 Si1 12.8(9) . . . . ?
C12 C11 N3 Si1 -168.2(4) . . . . ?
C15 C14 N3 C11 174.1(6) . . . . ?
C13 C14 N3 C11 -0.7(6) . . . . ?
C15 C14 N3 Si1 -17.3(8) . . . . ?
C13 C14 N3 Si1 167.9(4) . . . . ?
C15 C16 N4 C19 -179.3(5) . . . . ?
C17 C16 N4 C19 0.1(7) . . . . ?
C15 C16 N4 Si1 18.5(9) . . . . ?
C17 C16 N4 Si1 -162.1(5) . . . . ?
C1 C19 N4 C16 -175.4(5) . . . . ?
C18 C19 N4 C16 -0.9(7) . . . . ?
C1 C19 N4 Si1 -9.9(7) . . . . ?
C18 C19 N4 Si1 164.6(4) . . . . ?
C9 N2 Si1 O1 -86.1(5) . . . . ?
C6 N2 Si1 O1 76.2(5) . . . . ?
C9 N2 Si1 N4 106.4(7) . . . . ?
C6 N2 Si1 N4 -91.3(7) . . . . ?
C9 N2 Si1 N1 171.1(5) . . . . ?
C6 N2 Si1 N1 -26.6(5) . . . . ?
C9 N2 Si1 N3 16.5(5) . . . . ?
C6 N2 Si1 N3 178.8(5) . . . . ?
C16 N4 Si1 O1 72.7(6) . . . . ?
C19 N4 Si1 O1 -88.1(5) . . . . ?
C16 N4 Si1 N2 -119.8(7) . . . . ?
C19 N4 Si1 N2 79.3(7) . . . . ?
C16 N4 Si1 N1 173.7(6) . . . . ?
C19 N4 Si1 N1 12.8(4) . . . . ?
C16 N4 Si1 N3 -28.9(6) . . . . ?
C19 N4 Si1 N3 170.3(5) . . . . ?
C1 N1 Si1 O1 88.5(5) . . . . ?
C4 N1 Si1 O1 -72.7(6) . . . . ?
C1 N1 Si1 N2 -167.9(5) . . . . ?
C4 N1 Si1 N2 30.9(6) . . . . ?
C1 N1 Si1 N4 -13.6(5) . . . . ?
C4 N1 Si1 N4 -174.8(6) . . . . ?
C1 N1 Si1 N3 -77.2(7) . . . . ?
C4 N1 Si1 N3 121.6(7) . . . . ?
C11 N3 Si1 O1 88.3(5) . . . . ?
C14 N3 Si1 O1 -77.9(5) . . . . ?
C11 N3 Si1 N2 -16.1(5) . . . . ?
C14 N3 Si1 N2 177.7(5) . . . . ?
C11 N3 Si1 N4 -167.9(5) . . . . ?
C14 N3 Si1 N4 25.9(5) . . . . ?
C11 N3 Si1 N1 -105.9(7) . . . . ?
C14 N3 Si1 N1 87.9(7) . . . . ?
C4 C5 C20 C21 82.6(10) . . . . ?
C6 C5 C20 C21 -94.1(10) . . . . ?
C4 C5 C20 C25 -99.5(9) . . . . ?
C6 C5 C20 C25 83.8(10) . . . . ?
C25 C20 C21 F1 -175.4(10) . . . . ?
C5 C20 C21 F1 2.6(15) . . . . ?
C25 C20 C21 C22 6.7(17) . . . . ?
C5 C20 C21 C22 -175.3(12) . . . . ?
F1 C21 C22 C23 -179.5(15) . . . . ?
C20 C21 C22 C23 -2(2) . . . . ?
F1 C21 C22 F2 1(2) . . . . ?
C20 C21 C22 F2 178.8(13) . . . . ?
F2 C22 C23 F3 4(3) . . . . ?
C21 C22 C23 F3 -176.0(16) . . . . ?
F2 C22 C23 C24 175.3(17) . . . . ?
C21 C22 C23 C24 -4(3) . . . . ?
C22 C23 C24 F4 -169.4(17) . . . . ?
F3 C23 C24 F4 2(3) . . . . ?
C22 C23 C24 C25 4(3) . . . . ?
F3 C23 C24 C25 176.4(16) . . . . ?
C21 C20 C25 F5 177.8(9) . . . . ?
C5 C20 C25 F5 -0.2(14) . . . . ?
C21 C20 C25 C24 -6.5(17) . . . . ?
C5 C20 C25 C24 175.6(12) . . . . ?
F4 C24 C25 F5 -9(2) . . . . ?
C23 C24 C25 F5 176.9(14) . . . . ?
F4 C24 C25 C20 175.0(13) . . . . ?
C23 C24 C25 C20 1(2) . . . . ?
C16 C15 C26 C31 104.7(8) . . . . ?
C14 C15 C26 C31 -77.9(8) . . . . ?
C16 C15 C26 C27 -74.7(8) . . . . ?
C14 C15 C26 C27 102.6(8) . . . . ?
C31 C26 C27 F6 178.9(6) . . . . ?
C15 C26 C27 F6 -1.6(10) . . . . ?
C31 C26 C27 C28 2.0(11) . . . . ?
C15 C26 C27 C28 -178.5(7) . . . . ?
F6 C27 C28 C29 -178.6(8) . . . . ?
C26 C27 C28 C29 -1.7(13) . . . . ?
F6 C27 C28 F7 1.2(12) . . . . ?
C26 C27 C28 F7 178.2(7) . . . . ?
F7 C28 C29 F8 1.0(14) . . . . ?
C27 C28 C29 F8 -179.2(8) . . . . ?
F7 C28 C29 C30 -177.6(8) . . . . ?
C27 C28 C29 C30 2.3(14) . . . . ?
C28 C29 C30 F9 179.4(8) . . . . ?
F8 C29 C30 F9 0.8(13) . . . . ?
C28 C29 C30 C31 -3.2(13) . . . . ?
F8 C29 C30 C31 178.3(7) . . . . ?
C27 C26 C31 F10 -179.9(6) . . . . ?
C15 C26 C31 F10 0.7(11) . . . . ?
C27 C26 C31 C30 -3.0(11) . . . . ?
C15 C26 C31 C30 177.6(7) . . . . ?
F9 C30 C31 F10 -1.9(11) . . . . ?
C29 C30 C31 F10 -179.4(7) . . . . ?
F9 C30 C31 C26 -178.9(7) . . . . ?
C29 C30 C31 C26 3.6(12) . . . . ?
C9 C10 C32 C33 96.4(8) . . . . ?
C11 C10 C32 C33 -83.5(8) . . . . ?
C9 C10 C32 C37 -83.3(8) . . . . ?
C11 C10 C32 C37 96.9(7) . . . . ?
C37 C32 C33 O2 -177.2(6) . . . . ?
C10 C32 C33 O2 3.1(10) . . . . ?
C37 C32 C33 C34 2.7(10) . . . . ?
C10 C32 C33 C34 -176.9(6) . . . . ?
O2 C33 C34 C35 179.1(6) . . . . ?
C32 C33 C34 C35 -0.8(11) . . . . ?
C33 C34 C35 O3 177.1(7) . . . . ?
C33 C34 C35 C36 -2.1(11) . . . . ?
O3 C35 C36 C37 -176.4(6) . . . . ?
C34 C35 C36 C37 2.9(11) . . . . ?
C35 C36 C37 O4 180.0(6) . . . . ?
C35 C36 C37 C32 -0.8(10) . . . . ?
C33 C32 C37 O4 177.4(6) . . . . ?
C10 C32 C37 O4 -2.9(9) . . . . ?
C33 C32 C37 C36 -1.9(10) . . . . ?
C10 C32 C37 C36 177.8(6) . . . . ?
C32 C33 O2 C38 176.6(6) . . . . ?
C34 C33 O2 C38 -3.4(10) . . . . ?
C36 C35 O3 C39 171.3(8) . . . . ?
C34 C35 O3 C39 -7.9(11) . . . . ?
C36 C37 O4 C40 8.2(10) . . . . ?
C32 C37 O4 C40 -171.0(7) . . . . ?
C59 C41 C42 C43 176.4(8) . . . . ?
N5 C41 C42 C43 -0.3(7) . . . . ?
C41 C42 C43 C44 0.5(7) . . . . ?
C42 C43 C44 C45 177.2(7) . . . . ?
C42 C43 C44 N5 -0.6(7) . . . . ?
N5 C44 C45 C46 4.2(9) . . . . ?
C43 C44 C45 C46 -173.4(7) . . . . ?
N5 C44 C45 C60 178.3(5) . . . . ?
C43 C44 C45 C60 0.6(11) . . . . ?
C44 C45 C46 N6 -5.2(10) . . . . ?
C60 C45 C46 N6 -179.2(6) . . . . ?
C44 C45 C46 C47 172.6(6) . . . . ?
C60 C45 C46 C47 -1.5(10) . . . . ?
C45 C46 C47 C48 -176.0(6) . . . . ?
N6 C46 C47 C48 2.1(8) . . . . ?
C46 C47 C48 C49 -1.7(8) . . . . ?
C47 C48 C49 C50 -179.1(6) . . . . ?
C47 C48 C49 N6 0.8(8) . . . . ?
N6 C49 C50 C51 -3.1(10) . . . . ?
C48 C49 C50 C51 176.7(6) . . . . ?
N6 C49 C50 C72 176.3(6) . . . . ?
C48 C49 C50 C72 -3.9(10) . . . . ?
C49 C50 C51 N7 3.6(9) . . . . ?
C72 C50 C51 N7 -175.9(5) . . . . ?
C49 C50 C51 C52 -173.7(6) . . . . ?
C72 C50 C51 C52 6.9(9) . . . . ?
C50 C51 C52 C53 179.4(6) . . . . ?
N7 C51 C52 C53 1.8(7) . . . . ?
C51 C52 C53 C54 -0.4(7) . . . . ?
C52 C53 C54 C55 175.8(6) . . . . ?
C52 C53 C54 N7 -1.1(7) . . . . ?
N7 C54 C55 C56 1.9(9) . . . . ?
C53 C54 C55 C56 -174.5(6) . . . . ?
N7 C54 C55 C66 179.0(6) . . . . ?
C53 C54 C55 C66 2.6(10) . . . . ?
C54 C55 C56 N8 -1.8(9) . . . . ?
C66 C55 C56 N8 -178.9(5) . . . . ?
C54 C55 C56 C57 173.9(7) . . . . ?
C66 C55 C56 C57 -3.2(10) . . . . ?
N8 C56 C57 C58 0.2(7) . . . . ?
C55 C56 C57 C58 -175.8(7) . . . . ?
C56 C57 C58 C59 -0.9(7) . . . . ?
N5 C41 C59 N8 0.9(7) . . . . ?
C42 C41 C59 N8 -175.7(7) . . . . ?
N5 C41 C59 C58 176.1(7) . . . . ?
C42 C41 C59 C58 -0.5(14) . . . . ?
C57 C58 C59 N8 1.2(7) . . . . ?
C57 C58 C59 C41 -174.1(7) . . . . ?
C59 C41 N5 C44 -177.8(5) . . . . ?
C42 C41 N5 C44 -0.1(7) . . . . ?
C59 C41 N5 Si2 -11.4(7) . . . . ?
C42 C41 N5 Si2 166.3(4) . . . . ?
C45 C44 N5 C41 -177.7(5) . . . . ?
C43 C44 N5 C41 0.4(7) . . . . ?
C45 C44 N5 Si2 18.9(9) . . . . ?
C43 C44 N5 Si2 -162.9(5) . . . . ?
C50 C49 N6 C46 -179.7(6) . . . . ?
C48 C49 N6 C46 0.5(7) . . . . ?
C50 C49 N6 Si2 12.1(9) . . . . ?
C48 C49 N6 Si2 -167.7(4) . . . . ?
C45 C46 N6 C49 176.6(6) . . . . ?
C47 C46 N6 C49 -1.5(7) . . . . ?
C45 C46 N6 Si2 -14.9(9) . . . . ?
C47 C46 N6 Si2 167.0(4) . . . . ?
C50 C51 N7 C54 179.9(6) . . . . ?
C52 C51 N7 C54 -2.4(6) . . . . ?
C50 C51 N7 Si2 -13.2(9) . . . . ?
C52 C51 N7 Si2 164.5(4) . . . . ?
C55 C54 N7 C51 -174.7(6) . . . . ?
C53 C54 N7 C51 2.2(6) . . . . ?
C55 C54 N7 Si2 18.1(8) . . . . ?
C53 C54 N7 Si2 -165.0(4) . . . . ?
C41 C59 N8 C56 175.6(5) . . . . ?
C58 C59 N8 C56 -1.1(7) . . . . ?
C41 C59 N8 Si2 9.8(7) . . . . ?
C58 C59 N8 Si2 -166.9(4) . . . . ?
C55 C56 N8 C59 177.2(5) . . . . ?
C57 C56 N8 C59 0.5(7) . . . . ?
C55 C56 N8 Si2 -20.1(9) . . . . ?
C57 C56 N8 Si2 163.2(5) . . . . ?
C51 N7 Si2 O5 -88.3(5) . . . . ?
C54 N7 Si2 O5 76.1(5) . . . . ?
C51 N7 Si2 N5 105.9(7) . . . . ?
C54 N7 Si2 N5 -89.8(7) . . . . ?
C51 N7 Si2 N8 169.0(5) . . . . ?
C54 N7 Si2 N8 -26.6(5) . . . . ?
C51 N7 Si2 N6 16.1(5) . . . . ?
C54 N7 Si2 N6 -179.5(5) . . . . ?
C41 N5 Si2 O5 -87.6(4) . . . . ?
C44 N5 Si2 O5 74.3(6) . . . . ?
C41 N5 Si2 N7 78.1(7) . . . . ?
C44 N5 Si2 N7 -120.0(7) . . . . ?
C41 N5 Si2 N8 13.2(4) . . . . ?
C44 N5 Si2 N8 175.1(6) . . . . ?
C41 N5 Si2 N6 168.9(4) . . . . ?
C44 N5 Si2 N6 -29.2(6) . . . . ?
C59 N8 Si2 O5 90.3(5) . . . . ?
C56 N8 Si2 O5 -70.9(6) . . . . ?
C59 N8 Si2 N7 -168.7(5) . . . . ?
C56 N8 Si2 N7 30.1(6) . . . . ?
C59 N8 Si2 N5 -12.7(4) . . . . ?
C56 N8 Si2 N5 -173.9(6) . . . . ?
C59 N8 Si2 N6 -77.1(7) . . . . ?
C56 N8 Si2 N6 121.6(6) . . . . ?
C49 N6 Si2 O5 86.4(5) . . . . ?
C46 N6 Si2 O5 -79.6(5) . . . . ?
C49 N6 Si2 N7 -15.7(5) . . . . ?
C46 N6 Si2 N7 178.2(5) . . . . ?
C49 N6 Si2 N5 -169.0(5) . . . . ?
C46 N6 Si2 N5 24.9(5) . . . . ?
C49 N6 Si2 N8 -106.2(6) . . . . ?
C46 N6 Si2 N8 87.8(7) . . . . ?
C46 C45 C60 C65 -86.6(9) . . . . ?
C44 C45 C60 C65 99.2(8) . . . . ?
C46 C45 C60 C61 91.3(8) . . . . ?
C44 C45 C60 C61 -82.9(8) . . . . ?
C65 C60 C61 F11 179.0(7) . . . . ?
C45 C60 C61 F11 0.9(10) . . . . ?
C65 C60 C61 C62 -0.4(11) . . . . ?
C45 C60 C61 C62 -178.5(7) . . . . ?
F11 C61 C62 F12 0.5(13) . . . . ?
C60 C61 C62 F12 179.9(7) . . . . ?
F11 C61 C62 C63 -179.3(8) . . . . ?
C60 C61 C62 C63 0.1(13) . . . . ?
C61 C62 C63 F13 178.9(8) . . . . ?
F12 C62 C63 F13 -0.9(13) . . . . ?
C61 C62 C63 C64 0.9(14) . . . . ?
F12 C62 C63 C64 -178.8(8) . . . . ?
F13 C63 C64 F14 1.7(13) . . . . ?
C62 C63 C64 F14 179.6(8) . . . . ?
F13 C63 C64 C65 -179.6(8) . . . . ?
C62 C63 C64 C65 -1.6(13) . . . . ?
F14 C64 C65 F15 -1.1(12) . . . . ?
C63 C64 C65 F15 -179.8(7) . . . . ?
F14 C64 C65 C60 -179.9(7) . . . . ?
C63 C64 C65 C60 1.4(13) . . . . ?
C61 C60 C65 F15 -179.2(6) . . . . ?
C45 C60 C65 F15 -1.2(10) . . . . ?
C61 C60 C65 C64 -0.4(11) . . . . ?
C45 C60 C65 C64 177.6(7) . . . . ?
C54 C55 C66 C67 -112.1(7) . . . . ?
C56 C55 C66 C67 65.0(9) . . . . ?
C54 C55 C66 C71 68.0(8) . . . . ?
C56 C55 C66 C71 -114.9(7) . . . . ?
C71 C66 C67 F16 -179.0(6) . . . . ?
C55 C66 C67 F16 1.1(10) . . . . ?
C71 C66 C67 C68 1.7(10) . . . . ?
C55 C66 C67 C68 -178.2(6) . . . . ?
F16 C67 C68 F17 -0.6(10) . . . . ?
C66 C67 C68 F17 178.7(7) . . . . ?
F16 C67 C68 C69 177.7(6) . . . . ?
C66 C67 C68 C69 -3.0(11) . . . . ?
F17 C68 C69 F18 -1.8(10) . . . . ?
C67 C68 C69 F18 179.9(6) . . . . ?
F17 C68 C69 C70 -179.7(6) . . . . ?
C67 C68 C69 C70 2.0(10) . . . . ?
F18 C69 C70 F19 1.9(9) . . . . ?
C68 C69 C70 F19 179.8(6) . . . . ?
F18 C69 C70 C71 -177.8(6) . . . . ?
C68 C69 C70 C71 0.1(10) . . . . ?
F19 C70 C71 F20 -0.4(9) . . . . ?
C69 C70 C71 F20 179.2(6) . . . . ?
F19 C70 C71 C66 178.9(6) . . . . ?
C69 C70 C71 C66 -1.4(10) . . . . ?
C67 C66 C71 F20 179.9(6) . . . . ?
C55 C66 C71 F20 -0.2(9) . . . . ?
C67 C66 C71 C70 0.5(10) . . . . ?
C55 C66 C71 C70 -179.6(6) . . . . ?
C49 C50 C72 C73 99.0(8) . . . . ?
C51 C50 C72 C73 -81.5(8) . . . . ?
C49 C50 C72 C77 -82.2(8) . . . . ?
C51 C50 C72 C77 97.3(8) . . . . ?
C77 C72 C73 C74 -1.0(10) . . . . ?
C50 C72 C73 C74 177.9(6) . . . . ?
C77 C72 C73 O6 178.3(6) . . . . ?
C50 C72 C73 O6 -2.8(9) . . . . ?
O6 C73 C74 C75 179.3(6) . . . . ?
C72 C73 C74 C75 -1.5(10) . . . . ?
C73 C74 C75 O7 -176.7(6) . . . . ?
C73 C74 C75 C76 3.2(11) . . . . ?
O7 C75 C76 C77 177.5(7) . . . . ?
C74 C75 C76 C77 -2.3(11) . . . . ?
C73 C72 C77 O8 -177.3(6) . . . . ?
C50 C72 C77 O8 3.9(9) . . . . ?
C73 C72 C77 C76 1.9(10) . . . . ?
C50 C72 C77 C76 -177.0(6) . . . . ?
C75 C76 C77 O8 178.8(7) . . . . ?
C75 C76 C77 C72 -0.3(11) . . . . ?
C74 C73 O6 C78 5.6(9) . . . . ?
C72 C73 O6 C78 -173.7(6) . . . . ?
C74 C75 O7 C79 169.6(7) . . . . ?
C76 C75 O7 C79 -10.2(11) . . . . ?
C72 C77 O8 C80 177.6(7) . . . . ?
C76 C77 O8 C80 -1.5(11) . . . . ?
C99 C81 C82 C83 -177.2(8) . . . . ?
N9 C81 C82 C83 0.4(7) . . . . ?
C81 C82 C83 C84 0.0(7) . . . . ?
C82 C83 C84 C85 -179.3(6) . . . . ?
C82 C83 C84 N9 -0.3(6) . . . . ?
N9 C84 C85 C86 -2.5(9) . . . . ?
C83 C84 C85 C86 176.4(6) . . . . ?
N9 C84 C85 C100 179.5(5) . . . . ?
C83 C84 C85 C100 -1.7(10) . . . . ?
C84 C85 C86 N10 1.4(9) . . . . ?
C100 C85 C86 N10 179.5(5) . . . . ?
C84 C85 C86 C87 -171.9(6) . . . . ?
C100 C85 C86 C87 6.2(9) . . . . ?
C85 C86 C87 C88 173.7(6) . . . . ?
N10 C86 C87 C88 -0.6(6) . . . . ?
C86 C87 C88 C89 0.5(7) . . . . ?
C87 C88 C89 C90 -179.2(6) . . . . ?
C87 C88 C89 N10 -0.2(7) . . . . ?
C88 C89 C90 C91 -179.4(6) . . . . ?
N10 C89 C90 C91 1.7(9) . . . . ?
C88 C89 C90 C112 3.8(9) . . . . ?
N10 C89 C90 C112 -175.1(5) . . . . ?
C89 C90 C91 N11 0.3(9) . . . . ?
C112 C90 C91 N11 176.9(5) . . . . ?
C89 C90 C91 C92 177.4(6) . . . . ?
C112 C90 C91 C92 -5.9(10) . . . . ?
C90 C91 C92 C93 -177.0(6) . . . . ?
N11 C91 C92 C93 0.5(7) . . . . ?
C91 C92 C93 C94 -1.0(8) . . . . ?
C92 C93 C94 C95 -176.3(7) . . . . ?
C92 C93 C94 N11 1.2(8) . . . . ?
N11 C94 C95 C96 -5.9(11) . . . . ?
C93 C94 C95 C96 171.2(7) . . . . ?
N11 C94 C95 C106 177.1(7) . . . . ?
C93 C94 C95 C106 -5.8(11) . . . . ?
C94 C95 C96 N12 4.7(10) . . . . ?
C106 C95 C96 N12 -178.2(6) . . . . ?
C94 C95 C96 C97 -174.8(7) . . . . ?
C106 C95 C96 C97 2.4(12) . . . . ?
N12 C96 C97 C98 -0.9(8) . . . . ?
C95 C96 C97 C98 178.6(7) . . . . ?
C96 C97 C98 C99 0.6(8) . . . . ?
N9 C81 C99 N12 0.0(7) . . . . ?
C82 C81 C99 N12 177.5(7) . . . . ?
N9 C81 C99 C98 -176.0(7) . . . . ?
C82 C81 C99 C98 1.5(15) . . . . ?
C97 C98 C99 C81 176.1(8) . . . . ?
C97 C98 C99 N12 0.0(7) . . . . ?
C99 C81 N9 C84 177.7(5) . . . . ?
C82 C81 N9 C84 -0.6(6) . . . . ?
C99 C81 N9 Si3 11.3(6) . . . . ?
C82 C81 N9 Si3 -167.0(4) . . . . ?
C85 C84 N9 C81 179.7(5) . . . . ?
C83 C84 N9 C81 0.6(6) . . . . ?
C85 C84 N9 Si3 -16.6(8) . . . . ?
C83 C84 N9 Si3 164.3(4) . . . . ?
C85 C86 N10 C89 -173.9(5) . . . . ?
C87 C86 N10 C89 0.4(6) . . . . ?
C85 C86 N10 Si3 17.3(8) . . . . ?
C87 C86 N10 Si3 -168.4(4) . . . . ?
C90 C89 N10 C86 178.9(5) . . . . ?
C88 C89 N10 C86 -0.1(6) . . . . ?
C90 C89 N10 Si3 -12.3(8) . . . . ?
C88 C89 N10 Si3 168.7(4) . . . . ?
C95 C94 N11 C91 176.7(6) . . . . ?
C93 C94 N11 C91 -0.8(7) . . . . ?
C95 C94 N11 Si3 -14.0(10) . . . . ?
C93 C94 N11 Si3 168.5(5) . . . . ?
C90 C91 N11 C94 177.8(6) . . . . ?
C92 C91 N11 C94 0.2(7) . . . . ?
C90 C91 N11 Si3 8.5(8) . . . . ?
C92 C91 N11 Si3 -169.2(4) . . . . ?
C95 C96 N12 C99 -178.7(6) . . . . ?
C97 C96 N12 C99 0.9(7) . . . . ?
C95 C96 N12 Si3 18.0(10) . . . . ?
C97 C96 N12 Si3 -162.4(5) . . . . ?
C81 C99 N12 C96 -177.8(5) . . . . ?
C98 C99 N12 C96 -0.6(7) . . . . ?
C81 C99 N12 Si3 -11.2(7) . . . . ?
C98 C99 N12 Si3 166.0(4) . . . . ?
C81 N9 Si3 O9 87.7(4) . . . . ?
C84 N9 Si3 O9 -74.7(6) . . . . ?
C81 N9 Si3 N12 -13.8(4) . . . . ?
C84 N9 Si3 N12 -176.3(6) . . . . ?
C81 N9 Si3 N11 -77.4(7) . . . . ?
C84 N9 Si3 N11 120.2(7) . . . . ?
C81 N9 Si3 N10 -171.7(4) . . . . ?
C84 N9 Si3 N10 25.9(5) . . . . ?
C96 N12 Si3 O9 74.7(6) . . . . ?
C99 N12 Si3 O9 -87.4(5) . . . . ?
C96 N12 Si3 N9 175.8(6) . . . . ?
C99 N12 Si3 N9 13.7(4) . . . . ?
C96 N12 Si3 N11 -28.1(6) . . . . ?
C99 N12 Si3 N11 169.8(5) . . . . ?
C96 N12 Si3 N10 -120.9(7) . . . . ?
C99 N12 Si3 N10 77.0(7) . . . . ?
C94 N11 Si3 O9 -79.0(6) . . . . ?
C91 N11 Si3 O9 88.1(5) . . . . ?
C94 N11 Si3 N9 86.1(8) . . . . ?
C91 N11 Si3 N9 -106.8(7) . . . . ?
C94 N11 Si3 N12 24.1(5) . . . . ?
C91 N11 Si3 N12 -168.8(5) . . . . ?
C94 N11 Si3 N10 179.1(5) . . . . ?
C91 N11 Si3 N10 -13.7(5) . . . . ?
C86 N10 Si3 O9 78.2(5) . . . . ?
C89 N10 Si3 O9 -88.4(5) . . . . ?
C86 N10 Si3 N9 -24.7(5) . . . . ?
C89 N10 Si3 N9 168.7(5) . . . . ?
C86 N10 Si3 N12 -86.4(7) . . . . ?
C89 N10 Si3 N12 107.0(6) . . . . ?
C86 N10 Si3 N11 -177.9(5) . . . . ?
C89 N10 Si3 N11 15.5(5) . . . . ?
C84 C85 C100 C101 -102.7(8) . . . . ?
C86 C85 C100 C101 79.2(8) . . . . ?
C84 C85 C100 C105 77.1(8) . . . . ?
C86 C85 C100 C105 -101.1(7) . . . . ?
C105 C100 C101 F21 179.3(6) . . . . ?
C85 C100 C101 F21 -0.9(10) . . . . ?
C105 C100 C101 C102 -1.1(10) . . . . ?
C85 C100 C101 C102 178.7(7) . . . . ?
F21 C101 C102 F22 -0.5(10) . . . . ?
C100 C101 C102 F22 179.9(7) . . . . ?
F21 C101 C102 C103 179.4(7) . . . . ?
C100 C101 C102 C103 -0.2(11) . . . . ?
F22 C102 C103 F23 2.3(11) . . . . ?
C101 C102 C103 F23 -177.6(7) . . . . ?
F22 C102 C103 C104 -179.1(7) . . . . ?
C101 C102 C103 C104 1.0(12) . . . . ?
F23 C103 C104 C105 178.2(7) . . . . ?
C102 C103 C104 C105 -0.4(12) . . . . ?
F23 C103 C104 F24 -2.7(12) . . . . ?
C102 C103 C104 F24 178.8(7) . . . . ?
F24 C104 C105 F25 1.3(12) . . . . ?
C103 C104 C105 F25 -179.6(7) . . . . ?
F24 C104 C105 C100 179.8(7) . . . . ?
C103 C104 C105 C100 -1.0(12) . . . . ?
C101 C100 C105 C104 1.7(11) . . . . ?
C85 C100 C105 C104 -178.0(7) . . . . ?
C101 C100 C105 F25 -179.7(6) . . . . ?
C85 C100 C105 F25 0.5(10) . . . . ?
C94 C95 C106 C107 108.1(11) . . . . ?
C96 C95 C106 C107 -69.1(12) . . . . ?
C94 C95 C106 C111 -75.6(10) . . . . ?
C96 C95 C106 C111 107.3(9) . . . . ?
C111 C106 C107 F26 -178.1(10) . . . . ?
C95 C106 C107 F26 -1.5(18) . . . . ?
C111 C106 C107 C108 0.9(18) . . . . ?
C95 C106 C107 C108 177.6(12) . . . . ?
C106 C107 C108 F27 -179.3(14) . . . . ?
F26 C107 C108 F27 0(2) . . . . ?
C106 C107 C108 C109 0(2) . . . . ?
F26 C107 C108 C109 178.8(13) . . . . ?
F27 C108 C109 C110 178.6(14) . . . . ?
C107 C108 C109 C110 0(2) . . . . ?
F27 C108 C109 F28 -1(2) . . . . ?
C107 C108 C109 F28 179.6(11) . . . . ?
F28 C109 C110 F29 0.6(16) . . . . ?
C108 C109 C110 F29 -179.3(11) . . . . ?
F28 C109 C110 C111 -179.7(9) . . . . ?
C108 C109 C110 C111 0.3(18) . . . . ?
C109 C110 C111 F30 -177.4(9) . . . . ?
F29 C110 C111 F30 2.2(12) . . . . ?
C109 C110 C111 C106 0.4(14) . . . . ?
F29 C110 C111 C106 -179.9(8) . . . . ?
C107 C106 C111 F30 176.8(9) . . . . ?
C95 C106 C111 F30 0.1(12) . . . . ?
C107 C106 C111 C110 -1.0(13) . . . . ?
C95 C106 C111 C110 -177.7(8) . . . . ?
C91 C90 C112 C117 73.5(11) . . . . ?
C89 C90 C112 C117 -109.7(9) . . . . ?
C91 C90 C112 C113 -106.4(8) . . . . ?
C89 C90 C112 C113 70.4(9) . . . . ?
C117 C112 C113 O10 -179.3(9) . . . . ?
C90 C112 C113 O10 0.7(11) . . . . ?
C117 C112 C113 C114 2.5(13) . . . . ?
C90 C112 C113 C114 -177.6(7) . . . . ?
O10 C113 C114 C115 178.5(8) . . . . ?
C112 C113 C114 C115 -3.4(13) . . . . ?
C113 C114 C115 O11 -179.1(8) . . . . ?
C113 C114 C115 C116 2.3(14) . . . . ?
O11 C115 C116 C117 -178.9(10) . . . . ?
C114 C115 C116 C117 -0.5(16) . . . . ?
C115 C116 C117 O12 176.3(11) . . . . ?
C115 C116 C117 C112 -0.5(18) . . . . ?
C113 C112 C117 O12 -177.6(9) . . . . ?
C90 C112 C117 O12 2.5(15) . . . . ?
C113 C112 C117 C116 -0.5(16) . . . . ?
C90 C112 C117 C116 179.5(10) . . . . ?
C114 C113 O10 C118 -2.8(14) . . . . ?
C112 C113 O10 C118 179.0(9) . . . . ?
C114 C115 O11 C119 166.8(10) . . . . ?
C116 C115 O11 C119 -14.7(15) . . . . ?
C116 C117 O12 C120 18(2) . . . . ?
C112 C117 O12 C120 -164.8(14) . . . . ?
C139 C121 C122 C123 177.1(8) . . . . ?
N13 C121 C122 C123 -0.6(7) . . . . ?
C121 C122 C123 C124 0.8(7) . . . . ?
C122 C123 C124 N13 -0.8(7) . . . . ?
C122 C123 C124 C125 176.6(7) . . . . ?
N13 C124 C125 C126 1.5(9) . . . . ?
C123 C124 C125 C126 -175.7(7) . . . . ?
N13 C124 C125 C140 178.2(6) . . . . ?
C123 C124 C125 C140 1.0(10) . . . . ?
C124 C125 C126 N14 -4.1(10) . . . . ?
C140 C125 C126 N14 179.4(6) . . . . ?
C124 C125 C126 C127 174.3(6) . . . . ?
C140 C125 C126 C127 -2.2(10) . . . . ?
C125 C126 C127 C128 -177.6(6) . . . . ?
N14 C126 C127 C128 1.1(8) . . . . ?
C126 C127 C128 C129 -0.8(8) . . . . ?
C127 C128 C129 C130 -177.5(6) . . . . ?
C127 C128 C129 N14 0.3(7) . . . . ?
N14 C129 C130 C131 1.8(10) . . . . ?
C128 C129 C130 C131 179.2(6) . . . . ?
N14 C129 C130 C152 177.7(6) . . . . ?
C128 C129 C130 C152 -4.8(10) . . . . ?
C129 C130 C131 N15 -1.1(10) . . . . ?
C152 C130 C131 N15 -177.1(6) . . . . ?
C129 C130 C131 C132 179.9(6) . . . . ?
C152 C130 C131 C132 3.9(10) . . . . ?
C130 C131 C132 C133 179.1(6) . . . . ?
N15 C131 C132 C133 0.0(8) . . . . ?
C131 C132 C133 C134 1.1(8) . . . . ?
C132 C133 C134 C135 176.5(6) . . . . ?
C132 C133 C134 N15 -1.8(7) . . . . ?
C133 C134 C135 C136 -173.4(6) . . . . ?
N15 C134 C135 C136 4.6(10) . . . . ?
C133 C134 C135 C146 3.3(10) . . . . ?
N15 C134 C135 C146 -178.8(6) . . . . ?
C134 C135 C136 N16 -3.6(10) . . . . ?
C146 C135 C136 N16 179.7(6) . . . . ?
C134 C135 C136 C137 174.5(7) . . . . ?
C146 C135 C136 C137 -2.2(11) . . . . ?
N16 C136 C137 C138 -0.9(7) . . . . ?
C135 C136 C137 C138 -179.1(7) . . . . ?
C136 C137 C138 C139 0.7(7) . . . . ?
N13 C121 C139 N16 1.8(7) . . . . ?
C122 C121 C139 N16 -175.8(8) . . . . ?
N13 C121 C139 C138 176.9(7) . . . . ?
C122 C121 C139 C138 -0.7(15) . . . . ?
C137 C138 C139 N16 -0.3(7) . . . . ?
C137 C138 C139 C121 -175.5(8) . . . . ?
C125 C124 N13 C121 -177.4(5) . . . . ?
C123 C124 N13 C121 0.4(7) . . . . ?
C125 C124 N13 Si4 21.3(9) . . . . ?
C123 C124 N13 Si4 -160.9(5) . . . . ?
C139 C121 N13 C124 -178.3(5) . . . . ?
C122 C121 N13 C124 0.1(7) . . . . ?
C139 C121 N13 Si4 -13.5(7) . . . . ?
C122 C121 N13 Si4 164.9(4) . . . . ?
C130 C129 N14 C126 178.2(6) . . . . ?
C128 C129 N14 C126 0.4(7) . . . . ?
C130 C129 N14 Si4 10.0(9) . . . . ?
C128 C129 N14 Si4 -167.8(4) . . . . ?
C125 C126 N14 C129 177.8(6) . . . . ?
C127 C126 N14 C129 -0.9(7) . . . . ?
C125 C126 N14 Si4 -13.8(9) . . . . ?
C127 C126 N14 Si4 167.5(5) . . . . ?
C130 C131 N15 C134 179.8(6) . . . . ?
C132 C131 N15 C134 -1.1(7) . . . . ?
C130 C131 N15 Si4 -11.3(9) . . . . ?
C132 C131 N15 Si4 167.8(4) . . . . ?
C135 C134 N15 C131 -176.6(6) . . . . ?
C133 C134 N15 C131 1.7(7) . . . . ?
C135 C134 N15 Si4 14.4(9) . . . . ?
C133 C134 N15 Si4 -167.3(4) . . . . ?
C135 C136 N16 C139 179.2(6) . . . . ?
C137 C136 N16 C139 0.7(7) . . . . ?
C135 C136 N16 Si4 -18.1(9) . . . . ?
C137 C136 N16 Si4 163.4(5) . . . . ?
C121 C139 N16 C136 176.3(5) . . . . ?
C138 C139 N16 C136 -0.2(7) . . . . ?
C121 C139 N16 Si4 10.4(7) . . . . ?
C138 C139 N16 Si4 -166.1(4) . . . . ?
C124 N13 Si4 O13 73.1(6) . . . . ?
C121 N13 Si4 O13 -86.7(5) . . . . ?
C124 N13 Si4 N16 175.0(6) . . . . ?
C121 N13 Si4 N16 15.2(4) . . . . ?
C124 N13 Si4 N15 -120.6(7) . . . . ?
C121 N13 Si4 N15 79.6(7) . . . . ?
C124 N13 Si4 N14 -29.7(6) . . . . ?
C121 N13 Si4 N14 170.5(5) . . . . ?
C136 N16 Si4 O13 -74.8(6) . . . . ?
C139 N16 Si4 O13 86.6(5) . . . . ?
C136 N16 Si4 N13 -175.5(6) . . . . ?
C139 N16 Si4 N13 -14.0(4) . . . . ?
C136 N16 Si4 N15 27.6(6) . . . . ?
C139 N16 Si4 N15 -171.0(4) . . . . ?
C136 N16 Si4 N14 119.1(7) . . . . ?
C139 N16 Si4 N14 -79.5(7) . . . . ?
C131 N15 Si4 O13 -86.9(5) . . . . ?
C134 N15 Si4 O13 79.6(5) . . . . ?
C131 N15 Si4 N13 106.8(7) . . . . ?
C134 N15 Si4 N13 -86.7(7) . . . . ?
C131 N15 Si4 N16 169.6(5) . . . . ?
C134 N15 Si4 N16 -23.9(5) . . . . ?
C131 N15 Si4 N14 16.9(5) . . . . ?
C134 N15 Si4 N14 -176.6(5) . . . . ?
C129 N14 Si4 O13 87.3(5) . . . . ?
C126 N14 Si4 O13 -78.6(5) . . . . ?
C129 N14 Si4 N13 -170.3(5) . . . . ?
C126 N14 Si4 N13 23.8(5) . . . . ?
C129 N14 Si4 N16 -106.5(7) . . . . ?
C126 N14 Si4 N16 87.6(7) . . . . ?
C129 N14 Si4 N15 -16.1(6) . . . . ?
C126 N14 Si4 N15 178.0(5) . . . . ?
C126 C125 C140 C141 104.3(9) . . . . ?
C124 C125 C140 C141 -72.4(9) . . . . ?
C126 C125 C140 C145 -80.3(9) . . . . ?
C124 C125 C140 C145 103.0(8) . . . . ?
C145 C140 C141 F31 -178.4(8) . . . . ?
C125 C140 C141 F31 -2.7(13) . . . . ?
C145 C140 C141 C142 0.4(14) . . . . ?
C125 C140 C141 C142 176.1(9) . . . . ?
F31 C141 C142 F32 0.6(17) . . . . ?
C140 C141 C142 F32 -178.2(10) . . . . ?
F31 C141 C142 C143 179.9(9) . . . . ?
C140 C141 C142 C143 1.1(17) . . . . ?
F32 C142 C143 F33 1.2(15) . . . . ?
C141 C142 C143 F33 -178.1(9) . . . . ?
F32 C142 C143 C144 177.6(10) . . . . ?
C141 C142 C143 C144 -1.7(15) . . . . ?
F33 C143 C144 F34 -3.3(14) . . . . ?
C142 C143 C144 F34 -179.6(9) . . . . ?
F33 C143 C144 C145 177.0(8) . . . . ?
C142 C143 C144 C145 0.8(14) . . . . ?
F34 C144 C145 F35 1.4(13) . . . . ?
C143 C144 C145 F35 -178.9(8) . . . . ?
F34 C144 C145 C140 -178.8(8) . . . . ?
C143 C144 C145 C140 0.8(14) . . . . ?
C141 C140 C145 C144 -1.4(12) . . . . ?
C125 C140 C145 C144 -177.2(7) . . . . ?
C141 C140 C145 F35 178.4(8) . . . . ?
C125 C140 C145 F35 2.6(11) . . . . ?
C134 C135 C146 C147 -99.4(9) . . . . ?
C136 C135 C146 C147 77.4(9) . . . . ?
C134 C135 C146 C151 82.2(8) . . . . ?
C136 C135 C146 C151 -101.1(8) . . . . ?
C151 C146 C147 F36 -177.5(8) . . . . ?
C135 C146 C147 F36 4.0(12) . . . . ?
C151 C146 C147 C148 2.2(13) . . . . ?
C135 C146 C147 C148 -176.4(8) . . . . ?
F36 C147 C148 F37 -2.8(15) . . . . ?
C146 C147 C148 F37 177.5(9) . . . . ?
F36 C147 C148 C149 175.6(9) . . . . ?
C146 C147 C148 C149 -4.1(16) . . . . ?
F37 C148 C149 F38 -0.2(14) . . . . ?
C147 C148 C149 F38 -178.6(9) . . . . ?
F37 C148 C149 C150 -178.7(9) . . . . ?
C147 C148 C149 C150 2.9(15) . . . . ?
F38 C149 C150 F39 1.3(11) . . . . ?
C148 C149 C150 F39 179.8(8) . . . . ?
F38 C149 C150 C151 -178.6(7) . . . . ?
C148 C149 C150 C151 -0.1(12) . . . . ?
F39 C150 C151 F40 -0.3(10) . . . . ?
C149 C150 C151 F40 179.6(6) . . . . ?
F39 C150 C151 C146 178.4(6) . . . . ?
C149 C150 C151 C146 -1.7(11) . . . . ?
C147 C146 C151 F40 179.4(7) . . . . ?
C135 C146 C151 F40 -2.1(10) . . . . ?
C147 C146 C151 C150 0.7(11) . . . . ?
C135 C146 C151 C150 179.2(6) . . . . ?
C129 C130 C152 C157 85.0(8) . . . . ?
C131 C130 C152 C157 -99.0(8) . . . . ?
C129 C130 C152 C153 -98.1(8) . . . . ?
C131 C130 C152 C153 78.0(8) . . . . ?
C157 C152 C153 O14 -179.9(6) . . . . ?
C130 C152 C153 O14 3.0(10) . . . . ?
C157 C152 C153 C154 -0.3(11) . . . . ?
C130 C152 C153 C154 -177.3(7) . . . . ?
O14 C153 C154 C155 179.9(7) . . . . ?
C152 C153 C154 C155 0.4(12) . . . . ?
C153 C154 C155 O15 178.9(7) . . . . ?
C153 C154 C155 C156 -1.6(11) . . . . ?
O15 C155 C156 C157 -177.9(6) . . . . ?
C154 C155 C156 C157 2.6(10) . . . . ?
C155 C156 C157 O16 178.7(6) . . . . ?
C155 C156 C157 C152 -2.5(10) . . . . ?
C153 C152 C157 O16 -179.8(6) . . . . ?
C130 C152 C157 O16 -2.7(9) . . . . ?
C153 C152 C157 C156 1.4(10) . . . . ?
C130 C152 C157 C156 178.4(6) . . . . ?
C154 C153 O14 C158 -5.3(13) . . . . ?
C152 C153 O14 C158 174.3(9) . . . . ?
C154 C155 O15 C159 -176.3(6) . . . . ?
C156 C155 O15 C159 4.2(9) . . . . ?
C156 C157 O16 C160 -4.9(10) . . . . ?
C152 C157 O16 C160 176.3(7) . . . . ?
N17 C161 C162 C163 -0.6(7) . . . . ?
C179 C161 C162 C163 -177.8(8) . . . . ?
C161 C162 C163 C164 0.3(7) . . . . ?
C162 C163 C164 N17 0.1(7) . . . . ?
C162 C163 C164 C165 -179.3(6) . . . . ?
N17 C164 C165 C166 -1.7(8) . . . . ?
C163 C164 C165 C166 177.6(6) . . . . ?
N17 C164 C165 C181 -176.3(5) . . . . ?
C163 C164 C165 C181 3.1(10) . . . . ?
C164 C165 C166 N18 1.8(9) . . . . ?
C181 C165 C166 N18 176.5(5) . . . . ?
C164 C165 C166 C167 -175.2(5) . . . . ?
C181 C165 C166 C167 -0.5(9) . . . . ?
C165 C166 C167 C168 177.4(6) . . . . ?
N18 C166 C167 C168 0.0(6) . . . . ?
C166 C167 C168 C169 -0.6(7) . . . . ?
C167 C168 C169 N18 1.0(6) . . . . ?
C167 C168 C169 C170 -178.3(5) . . . . ?
N18 C169 C170 C171 2.7(9) . . . . ?
C168 C169 C170 C171 -178.0(5) . . . . ?
N18 C169 C170 C193 -175.4(5) . . . . ?
C168 C169 C170 C193 3.8(8) . . . . ?
C169 C170 C171 N19 -0.6(9) . . . . ?
C193 C170 C171 N19 177.4(5) . . . . ?
C169 C170 C171 C172 177.8(6) . . . . ?
C193 C170 C171 C172 -4.2(9) . . . . ?
C170 C171 C172 C173 -178.4(6) . . . . ?
N19 C171 C172 C173 0.3(7) . . . . ?
C171 C172 C173 C174 -0.5(7) . . . . ?
C172 C173 C174 C175 -176.4(6) . . . . ?
C172 C173 C174 N19 0.6(7) . . . . ?
N19 C174 C175 C176 -3.6(11) . . . . ?
C173 C174 C175 C176 172.9(6) . . . . ?
N19 C174 C175 C187 177.3(6) . . . . ?
C173 C174 C175 C187 -6.3(11) . . . . ?
C174 C175 C176 N20 2.8(10) . . . . ?
C187 C175 C176 N20 -178.0(6) . . . . ?
C174 C175 C176 C177 -176.1(7) . . . . ?
C187 C175 C176 C177 3.0(12) . . . . ?
C175 C176 C177 C178 178.4(7) . . . . ?
N20 C176 C177 C178 -0.6(8) . . . . ?
C176 C177 C178 C179 0.5(8) . . . . ?
N17 C161 C179 N20 -0.8(7) . . . . ?
C162 C161 C179 N20 176.4(7) . . . . ?
N17 C161 C179 C178 -176.7(7) . . . . ?
C162 C161 C179 C178 0.4(15) . . . . ?
C177 C178 C179 N20 -0.3(7) . . . . ?
C177 C178 C179 C161 175.8(8) . . . . ?
C179 C161 N17 C164 178.7(5) . . . . ?
C162 C161 N17 C164 0.6(6) . . . . ?
C179 C161 N17 Si5 12.3(7) . . . . ?
C162 C161 N17 Si5 -165.7(4) . . . . ?
C165 C164 N17 C161 179.0(5) . . . . ?
C163 C164 N17 C161 -0.5(6) . . . . ?
C165 C164 N17 Si5 -17.8(8) . . . . ?
C163 C164 N17 Si5 162.7(4) . . . . ?
C168 C169 N18 C166 -1.0(6) . . . . ?
C170 C169 N18 C166 178.3(5) . . . . ?
C168 C169 N18 Si5 166.3(4) . . . . ?
C170 C169 N18 Si5 -14.4(8) . . . . ?
C165 C166 N18 C169 -176.8(6) . . . . ?
C167 C166 N18 C169 0.6(6) . . . . ?
C165 C166 N18 Si5 15.8(8) . . . . ?
C167 C166 N18 Si5 -166.8(4) . . . . ?
C170 C171 N19 C174 178.7(6) . . . . ?
C172 C171 N19 C174 0.1(6) . . . . ?
C170 C171 N19 Si5 10.3(8) . . . . ?
C172 C171 N19 Si5 -168.4(4) . . . . ?
C175 C174 N19 C171 176.6(6) . . . . ?
C173 C174 N19 C171 -0.4(7) . . . . ?
C175 C174 N19 Si5 -14.6(9) . . . . ?
C173 C174 N19 Si5 168.4(4) . . . . ?
C161 C179 N20 C176 -177.3(5) . . . . ?
C178 C179 N20 C176 -0.1(7) . . . . ?
C161 C179 N20 Si5 -11.2(7) . . . . ?
C178 C179 N20 Si5 166.0(4) . . . . ?
C175 C176 N20 C179 -178.7(6) . . . . ?
C177 C176 N20 C179 0.5(7) . . . . ?
C175 C176 N20 Si5 18.1(9) . . . . ?
C177 C176 N20 Si5 -162.7(5) . . . . ?
C179 N20 Si5 O26 -86.1(5) . . . . ?
C176 N20 Si5 O26 75.7(6) . . . . ?
C179 N20 Si5 N18 78.1(7) . . . . ?
C176 N20 Si5 N18 -120.1(7) . . . . ?
C179 N20 Si5 N17 14.1(4) . . . . ?
C176 N20 Si5 N17 175.9(6) . . . . ?
C179 N20 Si5 N19 170.9(4) . . . . ?
C176 N20 Si5 N19 -27.3(6) . . . . ?
C169 N18 Si5 O26 -86.0(5) . . . . ?
C166 N18 Si5 O26 78.8(5) . . . . ?
C169 N18 Si5 N20 109.5(6) . . . . ?
C166 N18 Si5 N20 -85.6(7) . . . . ?
C169 N18 Si5 N17 171.9(5) . . . . ?
C166 N18 Si5 N17 -23.3(5) . . . . ?
C169 N18 Si5 N19 17.6(5) . . . . ?
C166 N18 Si5 N19 -177.5(5) . . . . ?
C161 N17 Si5 O26 87.8(5) . . . . ?
C164 N17 Si5 O26 -74.0(6) . . . . ?
C161 N17 Si5 N20 -14.6(4) . . . . ?
C164 N17 Si5 N20 -176.4(6) . . . . ?
C161 N17 Si5 N18 -171.7(4) . . . . ?
C164 N17 Si5 N18 26.5(5) . . . . ?
C161 N17 Si5 N19 -79.8(7) . . . . ?
C164 N17 Si5 N19 118.4(7) . . . . ?
C171 N19 Si5 O26 85.7(5) . . . . ?
C174 N19 Si5 O26 -80.7(5) . . . . ?
C171 N19 Si5 N20 -170.1(5) . . . . ?
C174 N19 Si5 N20 23.5(5) . . . . ?
C171 N19 Si5 N18 -15.7(5) . . . . ?
C174 N19 Si5 N18 177.8(5) . . . . ?
C171 N19 Si5 N17 -106.7(7) . . . . ?
C174 N19 Si5 N17 86.9(7) . . . . ?
C166 C165 C181 C186 81.3(8) . . . . ?
C164 C165 C181 C186 -104.0(7) . . . . ?
C166 C165 C181 C182 -97.1(7) . . . . ?
C164 C165 C181 C182 77.6(8) . . . . ?
C186 C181 C182 F41 179.0(6) . . . . ?
C165 C181 C182 F41 -2.6(9) . . . . ?
C186 C181 C182 C183 -3.8(10) . . . . ?
C165 C181 C182 C183 174.7(7) . . . . ?
F41 C182 C183 C184 178.0(8) . . . . ?
C181 C182 C183 C184 0.7(12) . . . . ?
F41 C182 C183 F42 -0.5(11) . . . . ?
C181 C182 C183 F42 -177.8(7) . . . . ?
F42 C183 C184 C185 -179.0(9) . . . . ?
C182 C183 C184 C185 2.5(15) . . . . ?
F42 C183 C184 F43 1.8(14) . . . . ?
C182 C183 C184 F43 -176.6(8) . . . . ?
C183 C184 C185 F44 -179.5(9) . . . . ?
F43 C184 C185 F44 -0.3(14) . . . . ?
C183 C184 C185 C186 -2.4(15) . . . . ?
F43 C184 C185 C186 176.7(8) . . . . ?
C182 C181 C186 F45 -178.3(6) . . . . ?
C165 C181 C186 F45 3.2(10) . . . . ?
C182 C181 C186 C185 3.9(10) . . . . ?
C165 C181 C186 C185 -174.6(7) . . . . ?
F44 C185 C186 F45 -1.6(12) . . . . ?
C184 C185 C186 F45 -178.7(8) . . . . ?
F44 C185 C186 C181 176.2(7) . . . . ?
C184 C185 C186 C181 -0.9(12) . . . . ?
C176 C175 C187 C188 104.0(8) . . . . ?
C174 C175 C187 C188 -76.8(10) . . . . ?
C176 C175 C187 C192 -72.8(11) . . . . ?
C174 C175 C187 C192 106.4(10) . . . . ?
C192 C187 C188 F46 179.0(8) . . . . ?
C175 C187 C188 F46 2.1(11) . . . . ?
C192 C187 C188 C189 -2.1(13) . . . . ?
C175 C187 C188 C189 -179.0(7) . . . . ?
F46 C188 C189 F47 0.4(11) . . . . ?
C187 C188 C189 F47 -178.6(7) . . . . ?
F46 C188 C189 C190 179.6(8) . . . . ?
C187 C188 C189 C190 0.6(13) . . . . ?
F47 C189 C190 C191 -179.4(12) . . . . ?
C188 C189 C190 C191 1.3(17) . . . . ?
F47 C189 C190 F48 -1.4(14) . . . . ?
C188 C189 C190 F48 179.3(8) . . . . ?
F48 C190 C191 F49 -1(2) . . . . ?
C189 C190 C191 F49 176.9(14) . . . . ?
F48 C190 C191 C192 -179.6(12) . . . . ?
C189 C190 C191 C192 -2(2) . . . . ?
C188 C187 C192 F50 -178.3(10) . . . . ?
C175 C187 C192 F50 -1.3(16) . . . . ?
C188 C187 C192 C191 1.8(17) . . . . ?
C175 C187 C192 C191 178.7(12) . . . . ?
F49 C191 C192 F50 2(2) . . . . ?
C190 C191 C192 F50 -179.9(14) . . . . ?
F49 C191 C192 C187 -178.5(14) . . . . ?
C190 C191 C192 C187 0(2) . . . . ?
C171 C170 C193 C198 73.3(9) . . . . ?
C169 C170 C193 C198 -108.6(7) . . . . ?
C171 C170 C193 C194 -106.1(7) . . . . ?
C169 C170 C193 C194 72.0(8) . . . . ?
C198 C193 C194 O17 -174.0(6) . . . . ?
C170 C193 C194 O17 5.5(10) . . . . ?
C198 C193 C194 C195 7.4(11) . . . . ?
C170 C193 C194 C195 -173.2(7) . . . . ?
O17 C194 C195 C196 178.9(7) . . . . ?
C193 C194 C195 C196 -2.6(11) . . . . ?
C194 C195 C196 O18 177.9(7) . . . . ?
C194 C195 C196 C197 -3.3(12) . . . . ?
O18 C196 C197 C198 -177.4(7) . . . . ?
C195 C196 C197 C198 4.0(12) . . . . ?
C194 C193 C198 O19 176.0(6) . . . . ?
C170 C193 C198 O19 -3.4(10) . . . . ?
C194 C193 C198 C197 -6.8(11) . . . . ?
C170 C193 C198 C197 173.8(7) . . . . ?
C196 C197 C198 O19 178.3(7) . . . . ?
C196 C197 C198 C193 1.3(11) . . . . ?
C195 C194 O17 C199 -15.0(11) . . . . ?
C193 C194 O17 C199 166.4(7) . . . . ?
C197 C196 O18 C200 -4.7(12) . . . . ?
C195 C196 O18 C200 174.1(7) . . . . ?
C193 C198 O19 C201 -161.7(7) . . . . ?
C197 C198 O19 C201 21.0(11) . . . . ?
N21 C202 C203 C204 2.4(9) . . . . ?
C220 C202 C203 C204 -177.0(9) . . . . ?
C202 C203 C204 C205 -1.7(10) . . . . ?
C203 C204 C205 C206 -178.0(12) . . . . ?
C203 C204 C205 N21 0.5(11) . . . . ?
N21 C205 C206 C207 -1.2(18) . . . . ?
C204 C205 C206 C207 177.2(12) . . . . ?
N21 C205 C206 C251 -149.1(11) . . . . ?
C204 C205 C206 C251 29.3(18) . . . . ?
N21 C205 C206 C245 171.2(9) . . . . ?
C204 C205 C206 C245 -10(2) . . . . ?
C205 C206 C207 N22 3(2) . . . . ?
C251 C206 C207 N22 144.1(14) . . . . ?
C245 C206 C207 N22 -169.8(10) . . . . ?
C205 C206 C207 C208 -173.2(14) . . . . ?
C251 C206 C207 C208 -32(2) . . . . ?
C245 C206 C207 C208 14(2) . . . . ?
C206 C207 C208 C209 179.2(13) . . . . ?
N22 C207 C208 C209 2.3(17) . . . . ?
C207 C208 C209 C210 -3.0(16) . . . . ?
C208 C209 C210 C211 -176.7(11) . . . . ?
C208 C209 C210 N22 2.6(14) . . . . ?
N22 C210 C211 C212 -0.1(14) . . . . ?
C209 C210 C211 C212 179.1(10) . . . . ?
N22 C210 C211 C227 -178.5(8) . . . . ?
C209 C210 C211 C227 0.7(14) . . . . ?
C210 C211 C212 N23 1.3(12) . . . . ?
C227 C211 C212 N23 179.6(7) . . . . ?
C210 C211 C212 C213 179.9(8) . . . . ?
C227 C211 C212 C213 -1.7(12) . . . . ?
N23 C212 C213 C214 -0.4(9) . . . . ?
C211 C212 C213 C214 -179.2(7) . . . . ?
C212 C213 C214 C215 0.4(8) . . . . ?
C213 C214 C215 C216 -178.3(7) . . . . ?
C213 C214 C215 N23 -0.2(8) . . . . ?
N23 C215 C216 C217 -4.0(11) . . . . ?
C214 C215 C216 C217 173.7(7) . . . . ?
N23 C215 C216 C221 177.9(6) . . . . ?
C214 C215 C216 C221 -4.3(11) . . . . ?
C215 C216 C217 N24 1.2(10) . . . . ?
C221 C216 C217 N24 179.3(6) . . . . ?
C215 C216 C217 C218 -178.7(7) . . . . ?
C221 C216 C217 C218 -0.7(12) . . . . ?
C216 C217 C218 C219 179.6(8) . . . . ?
N24 C217 C218 C219 -0.3(8) . . . . ?
C217 C218 C219 C220 0.7(8) . . . . ?
N21 C202 C220 N24 1.6(8) . . . . ?
C203 C202 C220 N24 -179.0(9) . . . . ?
N21 C202 C220 C219 -177.1(8) . . . . ?
C203 C202 C220 C219 2.3(17) . . . . ?
C218 C219 C220 N24 -0.9(8) . . . . ?
C218 C219 C220 C202 177.9(8) . . . . ?
C220 C202 N21 C205 177.6(7) . . . . ?
C203 C202 N21 C205 -2.0(9) . . . . ?
C220 C202 N21 Si6 12.7(8) . . . . ?
C203 C202 N21 Si6 -166.9(5) . . . . ?
C206 C205 N21 C202 179.6(10) . . . . ?
C204 C205 N21 C202 0.9(10) . . . . ?
C206 C205 N21 Si6 -18.9(14) . . . . ?
C204 C205 N21 Si6 162.4(7) . . . . ?
C211 C210 N22 C207 178.2(10) . . . . ?
C209 C210 N22 C207 -1.1(12) . . . . ?
C211 C210 N22 Si6 -12.4(14) . . . . ?
C209 C210 N22 Si6 168.2(8) . . . . ?
C206 C207 N22 C210 -177.6(12) . . . . ?
C208 C207 N22 C210 -0.7(14) . . . . ?
C206 C207 N22 Si6 13.2(19) . . . . ?
C208 C207 N22 Si6 -169.9(9) . . . . ?
C211 C212 N23 C215 179.1(7) . . . . ?
C213 C212 N23 C215 0.2(8) . . . . ?
C211 C212 N23 Si6 10.4(11) . . . . ?
C213 C212 N23 Si6 -168.4(5) . . . . ?
C216 C215 N23 C212 178.0(7) . . . . ?
C214 C215 N23 C212 0.0(7) . . . . ?
C216 C215 N23 Si6 -13.1(10) . . . . ?
C214 C215 N23 Si6 168.9(5) . . . . ?
C202 C220 N24 C217 -178.4(6) . . . . ?
C219 C220 N24 C217 0.7(7) . . . . ?
C202 C220 N24 Si6 -15.3(7) . . . . ?
C219 C220 N24 Si6 163.8(5) . . . . ?
C216 C217 N24 C220 179.8(6) . . . . ?
C218 C217 N24 C220 -0.2(8) . . . . ?
C216 C217 N24 Si6 20.5(10) . . . . ?
C218 C217 N24 Si6 -159.5(5) . . . . ?
C212 N23 Si6 O20 87.5(6) . . . . ?
C215 N23 Si6 O20 -78.8(6) . . . . ?
C212 N23 Si6 N22 -16.7(7) . . . . ?
C215 N23 Si6 N22 177.0(6) . . . . ?
C212 N23 Si6 N24 -170.9(6) . . . . ?
C215 N23 Si6 N24 22.8(6) . . . . ?
C212 N23 Si6 N21 -107.5(9) . . . . ?
C215 N23 Si6 N21 86.2(9) . . . . ?
C210 N22 Si6 O20 -84.7(8) . . . . ?
C207 N22 Si6 O20 82.4(10) . . . . ?
C210 N22 Si6 N23 17.3(8) . . . . ?
C207 N22 Si6 N23 -175.6(10) . . . . ?
C210 N22 Si6 N24 108.6(9) . . . . ?
C207 N22 Si6 N24 -84.3(12) . . . . ?
C210 N22 Si6 N21 171.0(8) . . . . ?
C207 N22 Si6 N21 -21.9(10) . . . . ?
C220 N24 Si6 O20 -85.2(5) . . . . ?
C217 N24 Si6 O20 72.5(7) . . . . ?
C220 N24 Si6 N23 173.8(5) . . . . ?
C217 N24 Si6 N23 -28.5(6) . . . . ?
C220 N24 Si6 N22 81.6(8) . . . . ?
C217 N24 Si6 N22 -120.7(8) . . . . ?
C220 N24 Si6 N21 17.5(5) . . . . ?
C217 N24 Si6 N21 175.3(7) . . . . ?
C202 N21 Si6 O20 83.0(6) . . . . ?
C205 N21 Si6 O20 -77.0(8) . . . . ?
C202 N21 Si6 N23 -81.9(8) . . . . ?
C205 N21 Si6 N23 118.1(10) . . . . ?
C202 N21 Si6 N22 -173.6(6) . . . . ?
C205 N21 Si6 N22 26.4(8) . . . . ?
C202 N21 Si6 N24 -16.7(6) . . . . ?
C205 N21 Si6 N24 -176.7(8) . . . . ?
C217 C216 C221 C226 -70.1(10) . . . . ?
C215 C216 C221 C226 108.0(9) . . . . ?
C217 C216 C221 C222 109.8(8) . . . . ?
C215 C216 C221 C222 -72.1(9) . . . . ?
C226 C221 C222 F51 -179.9(7) . . . . ?
C216 C221 C222 F51 0.2(11) . . . . ?
C226 C221 C222 C223 -0.1(12) . . . . ?
C216 C221 C222 C223 180.0(7) . . . . ?
F51 C222 C223 F52 0.6(12) . . . . ?
C221 C222 C223 F52 -179.2(7) . . . . ?
F51 C222 C223 C224 -178.8(8) . . . . ?
C221 C222 C223 C224 1.4(13) . . . . ?
F52 C223 C224 F53 -0.2(14) . . . . ?
C222 C223 C224 F53 179.2(8) . . . . ?
F52 C223 C224 C225 179.0(8) . . . . ?
C222 C223 C224 C225 -1.5(13) . . . . ?
F53 C224 C225 F54 -2.5(14) . . . . ?
C223 C224 C225 F54 178.2(9) . . . . ?
F53 C224 C225 C226 179.8(8) . . . . ?
C223 C224 C225 C226 0.5(14) . . . . ?
C222 C221 C226 C225 -1.0(13) . . . . ?
C216 C221 C226 C225 178.9(8) . . . . ?
C222 C221 C226 F55 -178.9(7) . . . . ?
C216 C221 C226 F55 1.0(12) . . . . ?
F54 C225 C226 C221 -176.8(9) . . . . ?
C224 C225 C226 C221 0.8(15) . . . . ?
F54 C225 C226 F55 1.2(14) . . . . ?
C224 C225 C226 F55 178.8(8) . . . . ?
C210 C211 C227 C228 -92.1(10) . . . . ?
C212 C211 C227 C228 89.5(10) . . . . ?
C210 C211 C227 C232 86.6(10) . . . . ?
C212 C211 C227 C232 -91.8(10) . . . . ?
C232 C227 C228 O21 179.8(7) . . . . ?
C211 C227 C228 O21 -1.5(11) . . . . ?
C232 C227 C228 C229 -1.3(12) . . . . ?
C211 C227 C228 C229 177.5(7) . . . . ?
C227 C228 C229 C230 0.6(11) . . . . ?
O21 C228 C229 C230 179.5(7) . . . . ?
C228 C229 C230 C231 -0.3(12) . . . . ?
C228 C229 C230 O22 -179.3(7) . . . . ?
O22 C230 C231 C232 179.8(8) . . . . ?
C229 C230 C231 C232 0.7(14) . . . . ?
C230 C231 C232 O23 176.5(10) . . . . ?
C230 C231 C232 C227 -1.4(15) . . . . ?
C228 C227 C232 O23 -176.5(8) . . . . ?
C211 C227 C232 O23 4.7(13) . . . . ?
C228 C227 C232 C231 1.6(13) . . . . ?
C211 C227 C232 C231 -177.1(9) . . . . ?
C227 C228 O21 C233 178.1(9) . . . . ?
C229 C228 O21 C233 -0.9(12) . . . . ?
C231 C230 O22 C234 179.3(8) . . . . ?
C229 C230 O22 C234 -1.6(10) . . . . ?
C231 C232 O23 C244 -4.2(19) . . . . ?
C227 C232 O23 C244 173.8(13) . . . . ?
C278 C277 C276 C275 -78.0(19) . . . . ?
C277 C276 C275 C274 173.0(15) . . . . ?
C276 C275 C274 C273 179.4(17) . . . . ?
C205 C206 C245 C246 -70.2(15) . . . . ?
C207 C206 C245 C246 102.6(11) . . . . ?
C205 C206 C245 C250 108.6(12) . . . . ?
C207 C206 C245 C250 -78.6(13) . . . . ?
C250 C245 C246 F56 172.5(10) . . . . ?
C206 C245 C246 F56 -8.8(11) . . . . ?
C250 C245 C246 C247 0.0 . . . . ?
C206 C245 C246 C247 178.7(10) . . . . ?
F56 C246 C247 F57 3.8(11) . . . . ?
C245 C246 C247 F57 176.6(10) . . . . ?
F56 C246 C247 C248 -172.8(10) . . . . ?
C245 C246 C247 C248 0.0 . . . . ?
F57 C247 C248 F58 4.7(13) . . . . ?
C246 C247 C248 F58 -178.6(13) . . . . ?
F57 C247 C248 C249 -176.6(10) . . . . ?
C246 C247 C248 C249 0.0 . . . . ?
F58 C248 C249 F59 -1.5(14) . . . . ?
C247 C248 C249 F59 179.8(16) . . . . ?
F58 C248 C249 C250 178.6(13) . . . . ?
C247 C248 C249 C250 0.0 . . . . ?
F59 C249 C250 F60 1.4(16) . . . . ?
C248 C249 C250 F60 -178.7(12) . . . . ?
F59 C249 C250 C245 -179.8(16) . . . . ?
C248 C249 C250 C245 0.0 . . . . ?
C246 C245 C250 F60 178.7(12) . . . . ?
C206 C245 C250 F60 -0.1(13) . . . . ?
C246 C245 C250 C249 0.0 . . . . ?
C206 C245 C250 C249 -178.8(9) . . . . ?
C205 C206 C251 C252 52.3(19) . . . . ?
C207 C206 C251 C252 -94(2) . . . . ?
C205 C206 C251 C256 -132.0(11) . . . . ?
C207 C206 C251 C256 82.0(17) . . . . ?
C256 C251 C252 F61 179(2) . . . . ?
C206 C251 C252 F61 -6(2) . . . . ?
C256 C251 C252 C253 0.0 . . . . ?
C206 C251 C252 C253 175.1(19) . . . . ?
F61 C252 C253 C254 -179.4(18) . . . . ?
C251 C252 C253 C254 0.0 . . . . ?
F61 C252 C253 F62 -2.1(18) . . . . ?
C251 C252 C253 F62 177.3(18) . . . . ?
C252 C253 C254 F63 178.5(19) . . . . ?
F62 C253 C254 F63 1(2) . . . . ?
C252 C253 C254 C255 0.0 . . . . ?
F62 C253 C254 C255 -177.4(17) . . . . ?
F63 C254 C255 F65 -11(2) . . . . ?
C253 C254 C255 F65 168(2) . . . . ?
F63 C254 C255 C256 -178.6(18) . . . . ?
C253 C254 C255 C256 0.0 . . . . ?
F65 C255 C256 F64 4(2) . . . . ?
C254 C255 C256 F64 173(2) . . . . ?
F65 C255 C256 C251 -169(2) . . . . ?
C254 C255 C256 C251 0.0 . . . . ?
C252 C251 C256 F64 -172(2) . . . . ?
C206 C251 C256 F64 10.8(17) . . . . ?
C252 C251 C256 C255 0.0 . . . . ?
C206 C251 C256 C255 -176.8(12) . . . . ?
C267 C268 C269 C270 -148(4) . . . . ?
C268 C269 C270 C271 125(5) . . . . ?
C269 C270 C271 C272 53(7) . . . . ?
C261 C262 C263 C264 -140(3) . . . . ?
C262 C263 C264 C265 -158(3) . . . . ?
C266 C265 C264 C263 172(3) . . . . ?
C286 C287 C288 C289 -169.8(18) . . . . ?
C287 C288 C289 C290 168(2) . . . . ?
C288 C287 C286 C285 -153.1(19) . . . . ?
C291 C292 C293 C294 160(4) . . . . ?
C292 C293 C294 C295 145(4) . . . . ?
C293 C294 C295 C296 -14(4) . . . . ?
C297 C298 C299 C300 -16(55) . . . . ?
C298 C299 C300 C301 2(45) . . . . ?
C299 C300 C301 C302 41(53) . . . . ?
C303 C304 C305 C306 116(11) . . . . ?
C304 C305 C306 C307 -154(8) . . . . ?
C308 C307 C306 C305 27(16) . . . . ?

_refine_diff_density_max         1.032
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.110

