#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/46/7154666.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7154666
loop_
_publ_author_name
'Toledo, Hila'
'Amar, Michal'
'Bar, Sukanta'
'Iron, Mark A.'
'Fridman, Natalia'
'Tumanskii, Boris'
'Shimon, Linda J. W.'
'Botoshansky, Mark'
'Szpilman, Alex M.'
_publ_section_title
;
 Synthesis and stability of cyclic α-hydrogen nitroxides.
;
_journal_issue                   43
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              10726
_journal_page_last               10733
_journal_paper_doi               10.1039/c5ob01443c
_journal_volume                  13
_journal_year                    2015
_chemical_formula_moiety         '2(C48 H70 N O3 Si2), 0.5(C6 H14)'
_chemical_formula_sum            'C49.5 H73.5 N O3 Si2'
_chemical_formula_weight         786.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc11qvtf
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-12-04 deposited with the CCDC.
2015-08-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 131.6830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.8707(3)
_cell_length_b                   37.2414(7)
_cell_length_c                   21.2432(4)
_cell_measurement_reflns_used    80183
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.59
_cell_measurement_theta_min      2.09
_cell_volume                     9377.1(3)
_computing_cell_refinement       'Bruker Apex2'
_computing_data_collection       'Bruker Apex2'
_computing_data_reduction        'Bruker Apex2'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker KappaApexII CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_av_sigmaI/netI    0.0665
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            80183
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    0.115
_exptl_absorpt_correction_T_max  0.9908
_exptl_absorpt_correction_T_min  0.9829
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.115
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3436
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.071
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1103
_refine_ls_number_reflns         21575
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0619
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0819P)²+6.2093P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1528
_refine_ls_wR_factor_ref         0.1738
_reflns_number_gt                14626
_reflns_number_total             21575
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ob01443c2.cif
_cod_data_source_block           sa1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7154666--7154672.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C49.50 H73.50 N O3 Si2'
_cod_database_code               7154666
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si -0.39993(5) 0.138401(17) -0.27235(4) 0.02072(14) Uani 1 1 d . . .
Si2 Si -0.07594(5) 0.389001(17) -0.16619(4) 0.01985(14) Uani 1 1 d . . .
O1 O -0.41508(14) 0.18093(4) -0.30227(10) 0.0228(4) Uani 1 1 d . . .
O2 O -0.15873(14) 0.35307(4) -0.21394(10) 0.0220(3) Uani 1 1 d . . .
O3 O -0.46641(13) 0.29963(4) -0.41185(10) 0.0192(3) Uani 1 1 d . . .
N1 N -0.37852(15) 0.27698(5) -0.39553(11) 0.0158(4) Uani 1 1 d . . .
C1 C -0.37800(18) 0.21222(6) -0.25711(13) 0.0179(4) Uani 1 1 d . . .
C2 C -0.36245(19) 0.21462(6) -0.18356(14) 0.0206(5) Uani 1 1 d . . .
H2 H -0.3802 0.1946 -0.1665 0.025 Uiso 1 1 calc R . .
C3 C -0.32199(19) 0.24550(6) -0.13671(14) 0.0196(5) Uani 1 1 d . . .
H3 H -0.3164 0.2474 -0.0894 0.024 Uiso 1 1 calc R . .
C4 C -0.28847(18) 0.27464(6) -0.15864(13) 0.0175(4) Uani 1 1 d . . .
C5 C -0.30504(17) 0.27222(6) -0.23301(13) 0.0158(4) Uani 1 1 d . . .
C6 C -0.35983(18) 0.24154(6) -0.28651(13) 0.0160(4) Uani 1 1 d . . .
C7 C -0.23570(19) 0.30554(6) -0.10732(14) 0.0206(5) Uani 1 1 d . . .
H7 H -0.2277 0.3079 -0.0591 0.025 Uiso 1 1 calc R . .
C8 C -0.1961(2) 0.33201(6) -0.12620(14) 0.0224(5) Uani 1 1 d . . .
H8 H -0.1626 0.3529 -0.0920 0.027 Uiso 1 1 calc R . .
C9 C -0.20496(18) 0.32830(6) -0.19672(14) 0.0181(4) Uani 1 1 d . . .
C10 C -0.25850(17) 0.29912(6) -0.24969(13) 0.0159(4) Uani 1 1 d . . .
C11 C -0.4431(2) 0.11179(7) -0.36439(17) 0.0314(6) Uani 1 1 d . . .
H11 H -0.4404 0.0860 -0.3503 0.038 Uiso 1 1 calc R . .
C12 C -0.5640(3) 0.11911(8) -0.44665(17) 0.0411(7) Uani 1 1 d . . .
H12A H -0.5726 0.1447 -0.4605 0.062 Uiso 1 1 calc R . .
H12B H -0.6172 0.1123 -0.4397 0.062 Uiso 1 1 calc R . .
H12C H -0.5797 0.1049 -0.4923 0.062 Uiso 1 1 calc R . .
C13 C -0.3560(3) 0.11633(10) -0.3745(2) 0.0511(8) Uani 1 1 d . . .
H13A H -0.3777 0.1013 -0.4211 0.077 Uiso 1 1 calc R . .
H13B H -0.2813 0.1091 -0.3223 0.077 Uiso 1 1 calc R . .
H13C H -0.3537 0.1415 -0.3865 0.077 Uiso 1 1 calc R . .
C14 C -0.4962(2) 0.12936(7) -0.25053(17) 0.0297(6) Uani 1 1 d . . .
H14 H -0.4547 0.1371 -0.1912 0.036 Uiso 1 1 calc R . .
C15 C -0.5232(3) 0.08955(8) -0.2560(2) 0.0419(7) Uani 1 1 d . . .
H15A H -0.5617 0.0858 -0.2348 0.063 Uiso 1 1 calc R . .
H15B H -0.4529 0.0757 -0.2219 0.063 Uiso 1 1 calc R . .
H15C H -0.5722 0.0817 -0.3148 0.063 Uiso 1 1 calc R . .
C16 C -0.6048(2) 0.15139(8) -0.30744(18) 0.0374(7) Uani 1 1 d . . .
H16A H -0.6457 0.1456 -0.3665 0.056 Uiso 1 1 calc R . .
H16B H -0.5862 0.1770 -0.2977 0.056 Uiso 1 1 calc R . .
H16C H -0.6522 0.1457 -0.2945 0.056 Uiso 1 1 calc R . .
C17 C -0.2486(2) 0.12743(8) -0.17498(18) 0.0360(6) Uani 1 1 d . . .
H17 H -0.2327 0.1035 -0.1865 0.043 Uiso 1 1 calc R . .
C18 C -0.1634(2) 0.15286(8) -0.1609(2) 0.0436(7) Uani 1 1 d . . .
H18A H -0.1695 0.1763 -0.1433 0.065 Uiso 1 1 calc R . .
H18B H -0.1781 0.1555 -0.2133 0.065 Uiso 1 1 calc R . .
H18C H -0.0873 0.1432 -0.1168 0.065 Uiso 1 1 calc R . .
C19 C -0.2265(3) 0.12256(10) -0.0928(2) 0.0525(9) Uani 1 1 d . . .
H19A H -0.1480 0.1153 -0.0472 0.079 Uiso 1 1 calc R . .
H19B H -0.2770 0.1040 -0.1012 0.079 Uiso 1 1 calc R . .
H19C H -0.2405 0.1453 -0.0779 0.079 Uiso 1 1 calc R . .
C20 C -0.0044(2) 0.39320(7) -0.20902(17) 0.0305(6) Uani 1 1 d . . .
H20 H 0.0667 0.3789 -0.1705 0.037 Uiso 1 1 calc R . .
C21 C -0.0701(3) 0.37724(8) -0.29653(19) 0.0399(7) Uani 1 1 d . . .
H21A H -0.1423 0.3898 -0.3368 0.060 Uiso 1 1 calc R . .
H21B H -0.0840 0.3517 -0.2955 0.060 Uiso 1 1 calc R . .
H21C H -0.0264 0.3799 -0.3136 0.060 Uiso 1 1 calc R . .
C22 C 0.0327(3) 0.43208(8) -0.2065(2) 0.0446(8) Uani 1 1 d . . .
H22A H 0.0806 0.4318 -0.2203 0.067 Uiso 1 1 calc R . .
H22B H 0.0751 0.4421 -0.1499 0.067 Uiso 1 1 calc R . .
H22C H -0.0342 0.4469 -0.2477 0.067 Uiso 1 1 calc R . .
C23 C 0.03506(19) 0.38125(6) -0.04892(15) 0.0243(5) Uani 1 1 d . . .
H23 H -0.0027 0.3826 -0.0256 0.029 Uiso 1 1 calc R . .
C24 C 0.1262(2) 0.41054(7) -0.00574(17) 0.0325(6) Uani 1 1 d . . .
H24A H 0.1799 0.4068 0.0554 0.049 Uiso 1 1 calc R . .
H24B H 0.0907 0.4342 -0.0188 0.049 Uiso 1 1 calc R . .
H24C H 0.1661 0.4094 -0.0263 0.049 Uiso 1 1 calc R . .
C25 C 0.0895(2) 0.34399(7) -0.02769(17) 0.0358(6) Uani 1 1 d . . .
H25A H 0.1275 0.3420 -0.0497 0.054 Uiso 1 1 calc R . .
H25B H 0.0311 0.3255 -0.0535 0.054 Uiso 1 1 calc R . .
H25C H 0.1448 0.3407 0.0336 0.054 Uiso 1 1 calc R . .
C26 C -0.1647(2) 0.42909(6) -0.19185(15) 0.0256(5) Uani 1 1 d . . .
H26 H -0.1131 0.4503 -0.1642 0.031 Uiso 1 1 calc R . .
C27 C -0.2241(2) 0.42642(8) -0.15726(19) 0.0353(6) Uani 1 1 d . . .
H27A H -0.2651 0.4488 -0.1693 0.053 Uiso 1 1 calc R . .
H27B H -0.1678 0.4225 -0.0962 0.053 Uiso 1 1 calc R . .
H27C H -0.2773 0.4063 -0.1842 0.053 Uiso 1 1 calc R . .
C28 C -0.2534(2) 0.43707(7) -0.28694(17) 0.0350(6) Uani 1 1 d . . .
H28A H -0.3025 0.4161 -0.3167 0.053 Uiso 1 1 calc R . .
H28B H -0.2154 0.4424 -0.3079 0.053 Uiso 1 1 calc R . .
H28C H -0.2989 0.4578 -0.2968 0.053 Uiso 1 1 calc R . .
C29 C -0.38696(18) 0.24116(6) -0.36979(13) 0.0163(4) Uani 1 1 d . . .
H29 H -0.3270 0.2262 -0.3601 0.020 Uiso 1 1 calc R . .
C30 C -0.49933(19) 0.22509(6) -0.44731(13) 0.0185(5) Uani 1 1 d . . .
C31 C -0.4999(2) 0.20958(6) -0.50844(14) 0.0223(5) Uani 1 1 d . . .
C32 C -0.6004(2) 0.19596(6) -0.58275(15) 0.0280(6) Uani 1 1 d . . .
H32 H -0.6001 0.1857 -0.6235 0.034 Uiso 1 1 calc R . .
C33 C -0.7001(2) 0.19694(7) -0.59909(15) 0.0306(6) Uani 1 1 d . . .
C34 C -0.6991(2) 0.21272(6) -0.53975(15) 0.0266(5) Uani 1 1 d . . .
H34 H -0.7676 0.2138 -0.5506 0.032 Uiso 1 1 calc R . .
C35 C -0.60081(19) 0.22719(6) -0.46395(14) 0.0208(5) Uani 1 1 d . . .
C36 C -0.3957(2) 0.20819(7) -0.49744(17) 0.0296(6) Uani 1 1 d . . .
H36A H -0.4156 0.1987 -0.5489 0.044 Uiso 1 1 calc R . .
H36B H -0.3394 0.1925 -0.4498 0.044 Uiso 1 1 calc R . .
H36C H -0.3646 0.2324 -0.4865 0.044 Uiso 1 1 calc R . .
C37 C -0.8076(3) 0.18170(9) -0.68013(18) 0.0473(8) Uani 1 1 d . . .
H37A H -0.8001 0.1556 -0.6809 0.071 Uiso 1 1 calc R . .
H37B H -0.8212 0.1925 -0.7283 0.071 Uiso 1 1 calc R . .
H37C H -0.8711 0.1871 -0.6837 0.071 Uiso 1 1 calc R . .
C38 C -0.6143(2) 0.24479(7) -0.40708(15) 0.0247(5) Uani 1 1 d . . .
H38A H -0.5873 0.2284 -0.3608 0.037 Uiso 1 1 calc R . .
H38B H -0.6941 0.2503 -0.4395 0.037 Uiso 1 1 calc R . .
H38C H -0.5702 0.2670 -0.3840 0.037 Uiso 1 1 calc R . .
C39 C -0.27206(17) 0.29580(6) -0.32682(13) 0.0155(4) Uani 1 1 d . . .
H39 H -0.2812 0.3209 -0.3474 0.019 Uiso 1 1 calc R . .
C40 C -0.18004(18) 0.27863(6) -0.32210(13) 0.0170(4) Uani 1 1 d . . .
C41 C -0.09377(19) 0.25569(6) -0.25797(14) 0.0211(5) Uani 1 1 d . . .
C42 C -0.0224(2) 0.23975(7) -0.26694(15) 0.0248(5) Uani 1 1 d . . .
H42 H 0.0350 0.2240 -0.2240 0.030 Uiso 1 1 calc R . .
C43 C -0.0315(2) 0.24591(7) -0.33542(16) 0.0250(5) Uani 1 1 d . . .
C44 C -0.1148(2) 0.26944(6) -0.39679(15) 0.0226(5) Uani 1 1 d . . .
H44 H -0.1216 0.2745 -0.4438 0.027 Uiso 1 1 calc R . .
C45 C -0.18845(18) 0.28578(6) -0.39162(14) 0.0184(5) Uani 1 1 d . . .
C46 C -0.0707(2) 0.24662(7) -0.17825(15) 0.0273(5) Uani 1 1 d . . .
H46A H -0.0589 0.2688 -0.1485 0.041 Uiso 1 1 calc R . .
H46B H -0.0031 0.2316 -0.1418 0.041 Uiso 1 1 calc R . .
H46C H -0.1354 0.2336 -0.1928 0.041 Uiso 1 1 calc R . .
C47 C 0.0477(2) 0.22829(8) -0.34242(19) 0.0378(7) Uani 1 1 d . . .
H47A H 0.0053 0.2208 -0.4009 0.057 Uiso 1 1 calc R . .
H47B H 0.0825 0.2072 -0.3055 0.057 Uiso 1 1 calc R . .
H47C H 0.1066 0.2454 -0.3254 0.057 Uiso 1 1 calc R . .
C48 C -0.2769(2) 0.31091(6) -0.46244(15) 0.0229(5) Uani 1 1 d . . .
H48A H -0.2663 0.3130 -0.5028 0.034 Uiso 1 1 calc R . .
H48B H -0.2692 0.3346 -0.4392 0.034 Uiso 1 1 calc R . .
H48C H -0.3522 0.3013 -0.4911 0.034 Uiso 1 1 calc R . .
Si3 Si -0.89462(6) 0.074298(19) -1.25233(4) 0.02495(16) Uani 1 1 d . B .
Si4 Si -0.50081(7) 0.03969(2) -0.65938(5) 0.03461(19) Uani 1 1 d D . .
O4 O -0.76405(13) 0.08018(4) -1.15974(9) 0.0224(4) Uani 1 1 d . . .
O5 O -0.48951(14) 0.05693(4) -0.72578(10) 0.0240(4) Uani 1 1 d . C .
O6 O -0.45759(13) 0.12508(4) -0.88271(10) 0.0238(4) Uani 1 1 d . . .
N2 N -0.56988(15) 0.12797(5) -0.91343(11) 0.0192(4) Uani 1 1 d . C .
C49 C -0.7016(2) 0.05904(6) -1.08858(14) 0.0210(5) Uani 1 1 d . . .
C50 C -0.6910(2) 0.02199(6) -1.09529(15) 0.0268(5) Uani 1 1 d . . .
H50 H -0.7258 0.0118 -1.1487 0.032 Uiso 1 1 calc R . .
C51 C -0.6311(2) 0.00066(7) -1.02565(16) 0.0280(5) Uani 1 1 d . . .
H51 H -0.6212 -0.0241 -1.0303 0.034 Uiso 1 1 calc R . .
C52 C -0.5839(2) 0.01501(6) -0.94685(15) 0.0225(5) Uani 1 1 d . . .
C53 C -0.59292(19) 0.05246(6) -0.93956(14) 0.0188(5) Uani 1 1 d . . .
C54 C -0.64625(18) 0.07514(6) -1.01176(14) 0.0175(4) Uani 1 1 d . . .
C55 C -0.5332(2) -0.00701(6) -0.87552(16) 0.0268(5) Uani 1 1 d . . .
H55 H -0.5217 -0.0318 -0.8783 0.032 Uiso 1 1 calc R . .
C56 C -0.5006(2) 0.00673(7) -0.80278(16) 0.0259(5) Uani 1 1 d . C .
H56 H -0.4666 -0.0085 -0.7554 0.031 Uiso 1 1 calc R . .
C57 C -0.51713(19) 0.04338(6) -0.79754(14) 0.0206(5) Uani 1 1 d . . .
C58 C -0.55975(18) 0.06667(6) -0.86344(14) 0.0174(4) Uani 1 1 d . C .
C59 C -0.8941(2) 0.03751(7) -1.31304(16) 0.0307(6) Uani 1 1 d . . .
H59 H -0.8956 0.0143 -1.2900 0.037 Uiso 1 1 calc R . .
C60 C -0.9990(3) 0.03743(10) -1.40780(19) 0.0536(9) Uani 1 1 d . . .
H60A H -1.0014 0.0597 -1.4334 0.080 Uiso 1 1 calc R . .
H60B H -1.0671 0.0356 -1.4156 0.080 Uiso 1 1 calc R . .
H60C H -0.9954 0.0169 -1.4348 0.080 Uiso 1 1 calc R . .
C61 C -0.7887(3) 0.03646(8) -1.30185(19) 0.0404(7) Uani 1 1 d . . .
H61A H -0.7886 0.0144 -1.3268 0.061 Uiso 1 1 calc R . .
H61B H -0.7214 0.0371 -1.2416 0.061 Uiso 1 1 calc R . .
H61C H -0.7884 0.0573 -1.3299 0.061 Uiso 1 1 calc R . .
C62 C -0.9280(2) 0.12011(7) -1.29997(16) 0.0310(6) Uani 1 1 d . . .
H62 H -0.9104 0.1373 -1.2564 0.037 Uiso 1 1 calc R . .
C63 C -0.8506(2) 0.13027(7) -1.31634(17) 0.0339(6) Uani 1 1 d . . .
H63A H -0.8684 0.1153 -1.3618 0.051 Uiso 1 1 calc R . .
H63B H -0.7718 0.1264 -1.2650 0.051 Uiso 1 1 calc R . .
H63C H -0.8619 0.1556 -1.3327 0.051 Uiso 1 1 calc R . .
C64 C -1.0524(3) 0.12652(9) -1.3793(2) 0.0497(8) Uani 1 1 d . . .
H64A H -1.0625 0.1515 -1.3975 0.075 Uiso 1 1 calc R . .
H64B H -1.1003 0.1216 -1.3665 0.075 Uiso 1 1 calc R . .
H64C H -1.0736 0.1105 -1.4245 0.075 Uiso 1 1 calc R . .
C65 C -0.9889(3) 0.06188(11) -1.2314(3) 0.0583(10) Uani 1 1 d . . .
H65 H -0.9406 0.0442 -1.1844 0.070 Uiso 1 1 calc R A 1
C66 C -0.9982(3) 0.09210(10) -1.1875(2) 0.0529(9) Uani 1 1 d . B .
H66A H -1.0382 0.0833 -1.1701 0.079 Uiso 1 1 calc R . .
H66B H -1.0400 0.1123 -1.2266 0.079 Uiso 1 1 calc R . .
H66C H -0.9225 0.1001 -1.1378 0.079 Uiso 1 1 calc R . .
C67A C -1.0919(4) 0.04036(16) -1.2941(4) 0.0547(17) Uani 0.628(7) 1 d P B 1
H67A H -1.0725 0.0190 -1.3092 0.082 Uiso 0.628(7) 1 calc PR B 1
H67B H -1.1470 0.0549 -1.3446 0.082 Uiso 0.628(7) 1 calc PR B 1
H67C H -1.1244 0.0329 -1.2699 0.082 Uiso 0.628(7) 1 calc PR B 1
C67B C -0.9930(7) 0.0304(2) -1.2085(5) 0.042(2) Uiso 0.372(7) 1 d P B 2
H67D H -0.9220 0.0255 -1.1511 0.064 Uiso 0.372(7) 1 calc PR B 2
H67E H -1.0041 0.0124 -1.2470 0.064 Uiso 0.372(7) 1 calc PR B 2
H67F H -1.0558 0.0293 -1.2098 0.064 Uiso 0.372(7) 1 calc PR B 2
C68A C -0.6638(3) 0.02707(11) -0.7308(2) 0.0350(10) Uani 0.720(5) 1 d P C 1
H68A H -0.7068 0.0458 -0.7759 0.042 Uiso 0.720(5) 1 calc PR C 1
C69A C -0.6907(9) -0.0056(3) -0.7722(7) 0.086(3) Uani 0.720(5) 1 d P C 1
H69A H -0.6445 -0.0247 -0.7307 0.129 Uiso 0.720(5) 1 calc PR C 1
H69B H -0.6758 -0.0042 -0.8102 0.129 Uiso 0.720(5) 1 calc PR C 1
H69C H -0.7707 -0.0109 -0.8050 0.129 Uiso 0.720(5) 1 calc PR C 1
C70A C -0.7056(5) 0.02887(17) -0.6844(4) 0.0661(16) Uani 0.720(5) 1 d P C 1
H70A H -0.7877 0.0259 -0.7246 0.099 Uiso 0.720(5) 1 calc PR C 1
H70B H -0.6856 0.0522 -0.6563 0.099 Uiso 0.720(5) 1 calc PR C 1
H70C H -0.6705 0.0096 -0.6423 0.099 Uiso 0.720(5) 1 calc PR C 1
C68B C -0.5783(10) 0.0000(3) -0.6865(7) 0.042(3) Uani 0.280(5) 1 d P C 2
H68B H -0.5278 -0.0194 -0.6776 0.051 Uiso 0.280(5) 1 calc PR C 2
C69B C -0.699(2) -0.0093(5) -0.7754(17) 0.041(3) Uani 0.280(5) 1 d P C 2
H69D H -0.7310 -0.0300 -0.7692 0.061 Uiso 0.280(5) 1 calc PR C 2
H69E H -0.6908 -0.0150 -0.8162 0.061 Uiso 0.280(5) 1 calc PR C 2
H69F H -0.7492 0.0114 -0.7955 0.061 Uiso 0.280(5) 1 calc PR C 2
C70B C -0.5956(10) -0.0094(3) -0.6256(8) 0.041(3) Uani 0.280(5) 1 d P C 2
H70D H -0.6104 0.0126 -0.6090 0.061 Uiso 0.280(5) 1 calc PR C 2
H70E H -0.5275 -0.0211 -0.5755 0.061 Uiso 0.280(5) 1 calc PR C 2
H70F H -0.6599 -0.0258 -0.6535 0.061 Uiso 0.280(5) 1 calc PR C 2
C71A C -0.4191(3) -0.00180(10) -0.6060(2) 0.0303(9) Uani 0.703(4) 1 d PD C 1
H71 H -0.4614 -0.0215 -0.6486 0.036 Uiso 0.703(4) 1 calc PR C 1
C72A C -0.3021(10) -0.0020(3) -0.5746(12) 0.049(2) Uani 0.703(4) 1 d PD C 1
H72A H -0.2588 0.0179 -0.5351 0.073 Uiso 0.703(4) 1 calc PR C 1
H72B H -0.3060 0.0007 -0.6224 0.073 Uiso 0.703(4) 1 calc PR C 1
H72C H -0.2652 -0.0248 -0.5459 0.073 Uiso 0.703(4) 1 calc PR C 1
C73A C -0.4139(5) -0.01183(13) -0.5334(3) 0.0521(12) Uani 0.703(4) 1 d PD C 1
H73A H -0.3756 -0.0350 -0.5095 0.078 Uiso 0.703(4) 1 calc PR C 1
H73B H -0.4907 -0.0136 -0.5546 0.078 Uiso 0.703(4) 1 calc PR C 1
H73C H -0.3722 0.0067 -0.4896 0.078 Uiso 0.703(4) 1 calc PR C 1
C71B C -0.3451(7) 0.0269(3) -0.5642(5) 0.041(3) Uani 0.297(4) 1 d PD C 2
H71B H -0.3008 0.0468 -0.5618 0.049 Uiso 0.297(4) 1 calc PR C 2
C73B C -0.3055(11) 0.0273(3) -0.4731(6) 0.0521(12) Uani 0.297(4) 1 d PD C 2
H73D H -0.3517 0.0105 -0.4717 0.078 Uiso 0.297(4) 1 calc PR C 2
H73E H -0.3143 0.0516 -0.4603 0.078 Uiso 0.297(4) 1 calc PR C 2
H73F H -0.2261 0.0202 -0.4311 0.078 Uiso 0.297(4) 1 calc PR C 2
C72B C -0.292(3) -0.0065(7) -0.564(3) 0.049(2) Uani 0.297(4) 1 d PD C 2
H72D H -0.2172 -0.0100 -0.5080 0.073 Uiso 0.297(4) 1 calc PR C 2
H72E H -0.2834 -0.0040 -0.6057 0.073 Uiso 0.297(4) 1 calc PR C 2
H72F H -0.3396 -0.0273 -0.5786 0.073 Uiso 0.297(4) 1 calc PR C 2
C74A C -0.4680(4) 0.07738(13) -0.5919(3) 0.0313(12) Uani 0.666(4) 1 d PD C 1
H74A H -0.4712 0.0686 -0.5490 0.038 Uiso 0.666(4) 1 calc PR C 1
C75A C -0.5494(5) 0.10891(12) -0.6381(3) 0.0502(12) Uani 0.666(4) 1 d PD C 1
H75A H -0.5288 0.1275 -0.5974 0.075 Uiso 0.666(4) 1 calc PR C 1
H75B H -0.6265 0.1007 -0.6679 0.075 Uiso 0.666(4) 1 calc PR C 1
H75C H -0.5454 0.1188 -0.6788 0.075 Uiso 0.666(4) 1 calc PR C 1
C76A C -0.3483(4) 0.08983(14) -0.5452(3) 0.0505(11) Uani 0.666(4) 1 d PD C 1
H76A H -0.3442 0.1003 -0.5854 0.076 Uiso 0.666(4) 1 calc PR C 1
H76B H -0.2968 0.0693 -0.5170 0.076 Uiso 0.666(4) 1 calc PR C 1
H76C H -0.3266 0.1079 -0.5032 0.076 Uiso 0.666(4) 1 calc PR C 1
C74B C -0.5208(8) 0.0785(2) -0.6165(7) 0.043(3) Uani 0.334(4) 1 d PD C 2
H74B H -0.5070 0.0695 -0.5660 0.051 Uiso 0.334(4) 1 calc PR C 2
C75B C -0.6446(8) 0.0904(3) -0.6801(6) 0.0502(12) Uani 0.334(4) 1 d PD C 2
H75D H -0.6623 0.1043 -0.6510 0.075 Uiso 0.334(4) 1 calc PR C 2
H75E H -0.6934 0.0692 -0.7064 0.075 Uiso 0.334(4) 1 calc PR C 2
H75F H -0.6570 0.1054 -0.7236 0.075 Uiso 0.334(4) 1 calc PR C 2
C76B C -0.4405(9) 0.1097(3) -0.5863(7) 0.0505(11) Uani 0.334(4) 1 d PD C 2
H76D H -0.4482 0.1187 -0.6333 0.076 Uiso 0.334(4) 1 calc PR C 2
H76E H -0.3628 0.1016 -0.5408 0.076 Uiso 0.334(4) 1 calc PR C 2
H76F H -0.4586 0.1289 -0.5655 0.076 Uiso 0.334(4) 1 calc PR C 2
C77 C -0.65157(18) 0.11528(6) -1.00164(13) 0.0166(4) Uani 1 1 d . . .
H77 H -0.7277 0.1195 -1.0205 0.020 Uiso 1 1 calc R . .
C78 C -0.64377(18) 0.14116(6) -1.05349(13) 0.0167(4) Uani 1 1 d . . .
C79 C -0.57232(18) 0.13622(6) -1.07022(13) 0.0183(5) Uani 1 1 d . . .
C80 C -0.56723(19) 0.16303(6) -1.11336(14) 0.0203(5) Uani 1 1 d . . .
H80 H -0.5197 0.1594 -1.1252 0.024 Uiso 1 1 calc R . .
C81 C -0.62822(19) 0.19476(6) -1.13979(14) 0.0206(5) Uani 1 1 d . . .
C82 C -0.69614(19) 0.19958(6) -1.12083(14) 0.0203(5) Uani 1 1 d . . .
H82 H -0.7376 0.2213 -1.1372 0.024 Uiso 1 1 calc R . .
C83 C -0.70495(18) 0.17350(6) -1.07859(13) 0.0173(4) Uani 1 1 d . . .
C84 C -0.4986(2) 0.10343(6) -1.04392(16) 0.0238(5) Uani 1 1 d . . .
H84A H -0.5437 0.0842 -1.0852 0.036 Uiso 1 1 calc R . .
H84B H -0.4682 0.0953 -0.9884 0.036 Uiso 1 1 calc R . .
H84C H -0.4362 0.1096 -1.0412 0.036 Uiso 1 1 calc R . .
C85 C -0.6203(2) 0.22288(7) -1.18700(17) 0.0294(6) Uani 1 1 d . . .
H85A H -0.5422 0.2245 -1.1631 0.044 Uiso 1 1 calc R . .
H85B H -0.6439 0.2462 -1.1819 0.044 Uiso 1 1 calc R . .
H85C H -0.6696 0.2162 -1.2466 0.044 Uiso 1 1 calc R . .
C86 C -0.77936(19) 0.18147(6) -1.05915(15) 0.0221(5) Uani 1 1 d . . .
H86A H -0.8032 0.2067 -1.0723 0.033 Uiso 1 1 calc R . .
H86B H -0.7370 0.1770 -0.9993 0.033 Uiso 1 1 calc R . .
H86C H -0.8460 0.1659 -1.0934 0.033 Uiso 1 1 calc R . .
C87 C -0.57137(18) 0.10623(6) -0.85601(14) 0.0180(4) Uani 1 1 d . . .
H87 H -0.5021 0.1132 -0.7976 0.022 Uiso 1 1 calc R C .
C88 C -0.67117(19) 0.12043(6) -0.86720(14) 0.0191(5) Uani 1 1 d . C .
C89 C -0.6554(2) 0.15443(6) -0.83070(14) 0.0225(5) Uani 1 1 d . . .
C90 C -0.7449(2) 0.17086(7) -0.84426(16) 0.0297(6) Uani 1 1 d . C .
H90 H -0.7337 0.1938 -0.8201 0.036 Uiso 1 1 calc R . .
C91 C -0.8499(2) 0.15489(8) -0.89171(16) 0.0337(6) Uani 1 1 d . . .
C92 C -0.8633(2) 0.12133(8) -0.92503(15) 0.0293(6) Uani 1 1 d . C .
H92 H -0.9344 0.1097 -0.9566 0.035 Uiso 1 1 calc R . .
C93 C -0.7768(2) 0.10371(7) -0.91430(14) 0.0226(5) Uani 1 1 d . . .
C94 C -0.5439(2) 0.17385(7) -0.77785(16) 0.0271(5) Uani 1 1 d . C .
H94A H -0.5510 0.1972 -0.7605 0.041 Uiso 1 1 calc R . .
H94B H -0.5219 0.1775 -0.8110 0.041 Uiso 1 1 calc R . .
H94C H -0.4862 0.1595 -0.7278 0.041 Uiso 1 1 calc R . .
C95 C -0.9478(3) 0.17376(10) -0.9090(2) 0.0502(9) Uani 1 1 d . C .
H95A H -0.9957 0.1848 -0.9650 0.075 Uiso 1 1 calc R . .
H95B H -0.9190 0.1924 -0.8664 0.075 Uiso 1 1 calc R . .
H95C H -0.9920 0.1563 -0.9069 0.075 Uiso 1 1 calc R . .
C96 C -0.8064(2) 0.06759(7) -0.95690(16) 0.0265(5) Uani 1 1 d . C .
H96A H -0.8856 0.0621 -0.9873 0.040 Uiso 1 1 calc R . .
H96B H -0.7581 0.0491 -0.9143 0.040 Uiso 1 1 calc R . .
H96C H -0.7946 0.0682 -0.9967 0.040 Uiso 1 1 calc R . .
C97 C -0.0042(5) 0.49200(11) -0.4705(3) 0.0799(14) Uani 1 1 d . . .
H97A H 0.0659 0.4781 -0.4287 0.096 Uiso 1 1 calc R . .
H97B H -0.0033 0.5121 -0.4395 0.096 Uiso 1 1 calc R . .
C98 C -0.0963(5) 0.46918(13) -0.4994(3) 0.0938(16) Uani 1 1 d . . .
H98A H -0.0987 0.4490 -0.5308 0.113 Uiso 1 1 calc R . .
H98B H -0.1671 0.4830 -0.5398 0.113 Uiso 1 1 calc R . .
C99 C -0.0947(6) 0.45367(17) -0.4324(4) 0.120(2) Uani 1 1 d . . .
H99A H -0.0251 0.4399 -0.3916 0.180 Uiso 1 1 calc R . .
H99B H -0.1599 0.4378 -0.4591 0.180 Uiso 1 1 calc R . .
H99C H -0.0981 0.4733 -0.4033 0.180 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1038/ncomms7070 2015
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
O1 Si1 C11 104.24(10) . .
O1 Si1 C17 112.20(11) . .
C11 Si1 C17 110.10(13) . .
O1 Si1 C14 109.07(10) . .
C11 Si1 C14 111.53(12) . .
C17 Si1 C14 109.63(13) . .
O2 Si2 C26 109.14(10) . .
O2 Si2 C20 104.98(10) . .
C26 Si2 C20 112.00(12) . .
O2 Si2 C23 110.31(10) . .
C26 Si2 C23 111.63(11) . .
C20 Si2 C23 108.58(12) . .
C1 O1 Si1 131.08(14) . .
C9 O2 Si2 136.34(15) . .
O3 N1 C29 107.52(15) . .
O3 N1 C39 104.12(15) . .
C29 N1 C39 112.72(16) . .
O1 C1 C6 118.56(19) . .
O1 C1 C2 120.43(19) . .
C6 C1 C2 121.0(2) . .
C3 C2 C1 120.6(2) . .
C3 C2 H2 119.7 . .
C1 C2 H2 119.7 . .
C2 C3 C4 120.1(2) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C7 C4 C3 121.9(2) . .
C7 C4 C5 119.0(2) . .
C3 C4 C5 119.0(2) . .
C4 C5 C10 119.29(19) . .
C4 C5 C6 120.0(2) . .
C10 C5 C6 120.51(19) . .
C1 C6 C5 118.22(19) . .
C1 C6 C29 122.51(19) . .
C5 C6 C29 119.08(19) . .
C8 C7 C4 120.9(2) . .
C8 C7 H7 119.5 . .
C4 C7 H7 119.5 . .
C7 C8 C9 120.0(2) . .
C7 C8 H8 120.0 . .
C9 C8 H8 120.0 . .
O2 C9 C10 117.50(19) . .
O2 C9 C8 121.5(2) . .
C10 C9 C8 121.0(2) . .
C9 C10 C5 119.5(2) . .
C9 C10 C39 121.10(19) . .
C5 C10 C39 119.34(18) . .
C12 C11 C13 112.4(2) . .
C12 C11 Si1 114.07(19) . .
C13 C11 Si1 110.40(19) . .
C12 C11 H11 106.5 . .
C13 C11 H11 106.5 . .
Si1 C11 H11 106.5 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 C16 110.5(2) . .
C15 C14 Si1 112.55(19) . .
C16 C14 Si1 112.28(18) . .
C15 C14 H14 107.1 . .
C16 C14 H14 107.1 . .
Si1 C14 H14 107.1 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 C19 110.4(3) . .
C18 C17 Si1 113.5(2) . .
C19 C17 Si1 115.4(2) . .
C18 C17 H17 105.5 . .
C19 C17 H17 105.5 . .
Si1 C17 H17 105.5 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 C22 110.1(2) . .
C21 C20 Si2 114.53(18) . .
C22 C20 Si2 113.52(19) . .
C21 C20 H20 106.0 . .
C22 C20 H20 106.0 . .
Si2 C20 H20 106.0 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C25 C23 C24 110.1(2) . .
C25 C23 Si2 112.04(17) . .
C24 C23 Si2 111.20(17) . .
C25 C23 H23 107.8 . .
C24 C23 H23 107.8 . .
Si2 C23 H23 107.8 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C27 C26 C28 108.9(2) . .
C27 C26 Si2 113.10(17) . .
C28 C26 Si2 113.03(18) . .
C27 C26 H26 107.2 . .
C28 C26 H26 107.2 . .
Si2 C26 H26 107.2 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N1 C29 C6 113.38(17) . .
N1 C29 C30 106.36(16) . .
C6 C29 C30 118.82(18) . .
N1 C29 H29 105.8 . .
C6 C29 H29 105.8 . .
C30 C29 H29 105.8 . .
C35 C30 C31 119.1(2) . .
C35 C30 C29 124.8(2) . .
C31 C30 C29 116.0(2) . .
C32 C31 C30 119.4(2) . .
C32 C31 C36 118.3(2) . .
C30 C31 C36 122.3(2) . .
C33 C32 C31 122.2(2) . .
C33 C32 H32 118.9 . .
C31 C32 H32 118.9 . .
C32 C33 C34 117.9(2) . .
C32 C33 C37 120.9(3) . .
C34 C33 C37 121.2(3) . .
C33 C34 C35 122.6(2) . .
C33 C34 H34 118.7 . .
C35 C34 H34 118.7 . .
C30 C35 C34 118.7(2) . .
C30 C35 C38 124.9(2) . .
C34 C35 C38 116.3(2) . .
C31 C36 H36A 109.5 . .
C31 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C31 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C33 C37 H37A 109.5 . .
C33 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C33 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C35 C38 H38A 109.5 . .
C35 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C35 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
N1 C39 C10 110.74(17) . .
N1 C39 C40 106.20(16) . .
C10 C39 C40 121.38(18) . .
N1 C39 H39 105.8 . .
C10 C39 H39 105.8 . .
C40 C39 H39 105.8 . .
C41 C40 C45 118.7(2) . .
C41 C40 C39 126.0(2) . .
C45 C40 C39 115.30(19) . .
C42 C41 C40 118.7(2) . .
C42 C41 C46 116.3(2) . .
C40 C41 C46 125.0(2) . .
C43 C42 C41 123.0(2) . .
C43 C42 H42 118.5 . .
C41 C42 H42 118.5 . .
C42 C43 C44 117.5(2) . .
C42 C43 C47 121.3(2) . .
C44 C43 C47 121.2(2) . .
C45 C44 C43 122.0(2) . .
C45 C44 H44 119.0 . .
C43 C44 H44 119.0 . .
C44 C45 C40 120.0(2) . .
C44 C45 C48 117.7(2) . .
C40 C45 C48 122.3(2) . .
C41 C46 H46A 109.5 . .
C41 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C41 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C43 C47 H47A 109.5 . .
C43 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C43 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C45 C48 H48A 109.5 . .
C45 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C45 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
O4 Si3 C62 101.57(10) . .
O4 Si3 C65 108.26(14) . .
C62 Si3 C65 111.62(16) . .
O4 Si3 C59 109.56(10) . .
C62 Si3 C59 114.90(12) . .
C65 Si3 C59 110.41(14) . .
O5 Si4 C68B 119.6(3) . .
O5 Si4 C74A 103.6(2) . .
C68B Si4 C74A 132.7(4) . .
O5 Si4 C71A 114.62(13) . .
C68B Si4 C71A 63.2(4) . .
C74A Si4 C71A 116.5(2) . .
O5 Si4 C74B 105.5(4) . .
C68B Si4 C74B 120.5(5) . .
C74A Si4 C74B 19.7(3) . .
C71A Si4 C74B 129.4(4) . .
O5 Si4 C71B 101.4(3) . .
C68B Si4 C71B 105.2(5) . .
C74A Si4 C71B 82.5(3) . .
C71A Si4 C71B 42.9(3) . .
C74B Si4 C71B 101.3(4) . .
O5 Si4 C68A 105.18(13) . .
C68B Si4 C68A 44.2(4) . .
C74A Si4 C68A 109.1(2) . .
C71A Si4 C68A 107.18(18) . .
C74B Si4 C68A 89.9(3) . .
C71B Si4 C68A 147.2(3) . .
C49 O4 Si3 129.92(15) . .
C57 O5 Si4 131.68(15) . .
O6 N2 C87 106.24(16) . .
O6 N2 C77 109.21(16) . .
C87 N2 C77 112.91(17) . .
C54 C49 O4 118.7(2) . .
C54 C49 C50 121.5(2) . .
O4 C49 C50 119.8(2) . .
C51 C50 C49 120.4(2) . .
C51 C50 H50 119.8 . .
C49 C50 H50 119.8 . .
C50 C51 C52 120.4(2) . .
C50 C51 H51 119.8 . .
C52 C51 H51 119.8 . .
C51 C52 C55 121.9(2) . .
C51 C52 C53 119.3(2) . .
C55 C52 C53 118.7(2) . .
C52 C53 C58 119.9(2) . .
C52 C53 C54 119.5(2) . .
C58 C53 C54 120.3(2) . .
C49 C54 C53 118.0(2) . .
C49 C54 C77 123.0(2) . .
C53 C54 C77 118.46(19) . .
C56 C55 C52 121.0(2) . .
C56 C55 H55 119.5 . .
C52 C55 H55 119.5 . .
C55 C56 C57 120.2(2) . .
C55 C56 H56 119.9 . .
C57 C56 H56 119.9 . .
O5 C57 C58 118.3(2) . .
O5 C57 C56 120.4(2) . .
C58 C57 C56 121.3(2) . .
C57 C58 C53 118.6(2) . .
C57 C58 C87 121.3(2) . .
C53 C58 C87 120.17(19) . .
C61 C59 C60 108.9(2) . .
C61 C59 Si3 114.52(19) . .
C60 C59 Si3 113.8(2) . .
C61 C59 H59 106.3 . .
C60 C59 H59 106.3 . .
Si3 C59 H59 106.3 . .
C59 C60 H60A 109.5 . .
C59 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C59 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C59 C61 H61A 109.5 . .
C59 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C59 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C63 C62 C64 110.6(2) . .
C63 C62 Si3 111.53(18) . .
C64 C62 Si3 115.4(2) . .
C63 C62 H62 106.2 . .
C64 C62 H62 106.2 . .
Si3 C62 H62 106.2 . .
C62 C63 H63A 109.5 . .
C62 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C62 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C62 C64 H64A 109.5 . .
C62 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C62 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C67B C65 C67A 62.9(5) . .
C67B C65 C66 112.9(5) . .
C67A C65 C66 116.7(4) . .
C67B C65 Si3 124.2(5) . .
C67A C65 Si3 119.8(3) . .
C66 C65 Si3 112.2(2) . .
C67B C65 H65 38.8 . .
C67A C65 H65 101.3 . .
C66 C65 H65 101.3 . .
Si3 C65 H65 101.3 . .
C65 C66 H66A 109.5 . .
C65 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C65 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C65 C67A H67A 109.5 . .
C65 C67A H67B 109.5 . .
C65 C67A H67C 109.5 . .
C65 C67B H67D 109.5 . .
C65 C67B H67E 109.5 . .
H67D C67B H67E 109.5 . .
C65 C67B H67F 109.5 . .
H67D C67B H67F 109.5 . .
H67E C67B H67F 109.5 . .
C69A C68A C70A 111.6(6) . .
C69A C68A Si4 112.5(5) . .
C70A C68A Si4 113.7(3) . .
C69A C68A H68A 106.1 . .
C70A C68A H68A 106.1 . .
Si4 C68A H68A 106.1 . .
C70B C68B C69B 101.7(11) . .
C70B C68B Si4 113.3(7) . .
C69B C68B Si4 126.7(10) . .
C70B C68B H68B 104.3 . .
C69B C68B H68B 104.3 . .
Si4 C68B H68B 104.3 . .
C68B C69B H69D 109.5 . .
C68B C69B H69E 109.5 . .
H69D C69B H69E 109.5 . .
C68B C69B H69F 109.5 . .
H69D C69B H69F 109.5 . .
H69E C69B H69F 109.5 . .
C68B C70B H70D 109.5 . .
C68B C70B H70E 109.5 . .
H70D C70B H70E 109.5 . .
C68B C70B H70F 109.5 . .
H70D C70B H70F 109.5 . .
H70E C70B H70F 109.5 . .
C72A C71A C73A 109.2(8) . .
C72A C71A Si4 115.7(5) . .
C73A C71A Si4 111.6(3) . .
C72A C71A H71 106.6 . .
C73A C71A H71 106.6 . .
Si4 C71A H71 106.6 . .
C72B C71B C73B 104(2) . .
C72B C71B Si4 122.0(18) . .
C73B C71B Si4 117.7(6) . .
C72B C71B H71B 103.6 . .
C73B C71B H71B 103.6 . .
Si4 C71B H71B 103.6 . .
C71B C73B H73D 109.5 . .
C71B C73B H73E 109.5 . .
H73D C73B H73E 109.5 . .
C71B C73B H73F 109.5 . .
H73D C73B H73F 109.5 . .
H73E C73B H73F 109.5 . .
C71B C72B H72D 109.5 . .
C71B C72B H72E 109.5 . .
H72D C72B H72E 109.5 . .
C71B C72B H72F 109.5 . .
H72D C72B H72F 109.5 . .
H72E C72B H72F 109.5 . .
C76A C74A C75A 110.0(4) . .
C76A C74A Si4 109.2(3) . .
C75A C74A Si4 114.2(3) . .
C76A C74A H74A 107.7 . .
C75A C74A H74A 107.7 . .
Si4 C74A H74A 107.7 . .
C76B C74B C75B 112.0(8) . .
C76B C74B Si4 115.9(7) . .
C75B C74B Si4 109.4(6) . .
C76B C74B H74B 106.3 . .
C75B C74B H74B 106.3 . .
Si4 C74B H74B 106.3 . .
C74B C75B H75D 109.5 . .
C74B C75B H75E 109.5 . .
H75D C75B H75E 109.5 . .
C74B C75B H75F 109.5 . .
H75D C75B H75F 109.5 . .
H75E C75B H75F 109.5 . .
C74B C76B H76D 109.5 . .
C74B C76B H76E 109.5 . .
H76D C76B H76E 109.5 . .
C74B C76B H76F 109.5 . .
H76D C76B H76F 109.5 . .
H76E C76B H76F 109.5 . .
N2 C77 C54 114.17(18) . .
N2 C77 C78 106.77(17) . .
C54 C77 C78 118.62(18) . .
N2 C77 H77 105.4 . .
C54 C77 H77 105.4 . .
C78 C77 H77 105.4 . .
C79 C78 C83 118.9(2) . .
C79 C78 C77 124.33(19) . .
C83 C78 C77 116.44(19) . .
C80 C79 C78 118.7(2) . .
C80 C79 C84 116.8(2) . .
C78 C79 C84 124.5(2) . .
C81 C80 C79 123.1(2) . .
C81 C80 H80 118.4 . .
C79 C80 H80 118.4 . .
C80 C81 C82 117.3(2) . .
C80 C81 C85 121.0(2) . .
C82 C81 C85 121.7(2) . .
C81 C82 C83 121.8(2) . .
C81 C82 H82 119.1 . .
C83 C82 H82 119.1 . .
C82 C83 C78 120.1(2) . .
C82 C83 C86 118.0(2) . .
C78 C83 C86 121.9(2) . .
C79 C84 H84A 109.5 . .
C79 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C79 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
C81 C85 H85A 109.5 . .
C81 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C81 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
C83 C86 H86A 109.5 . .
C83 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C83 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
N2 C87 C58 112.29(18) . .
N2 C87 C88 105.38(17) . .
C58 C87 C88 120.52(19) . .
N2 C87 H87 105.9 . .
C58 C87 H87 105.9 . .
C88 C87 H87 105.9 . .
C93 C88 C89 118.6(2) . .
C93 C88 C87 125.4(2) . .
C89 C88 C87 115.8(2) . .
C90 C89 C88 119.7(2) . .
C90 C89 C94 118.4(2) . .
C88 C89 C94 121.9(2) . .
C91 C90 C89 122.1(2) . .
C91 C90 H90 118.9 . .
C89 C90 H90 118.9 . .
C92 C91 C90 117.6(2) . .
C92 C91 C95 120.9(3) . .
C90 C91 C95 121.5(3) . .
C91 C92 C93 122.8(2) . .
C91 C92 H92 118.6 . .
C93 C92 H92 118.6 . .
C92 C93 C88 119.1(2) . .
C92 C93 C96 116.1(2) . .
C88 C93 C96 124.8(2) . .
C89 C94 H94A 109.5 . .
C89 C94 H94B 109.5 . .
H94A C94 H94B 109.5 . .
C89 C94 H94C 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
C91 C95 H95A 109.5 . .
C91 C95 H95B 109.5 . .
H95A C95 H95B 109.5 . .
C91 C95 H95C 109.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
C93 C96 H96A 109.5 . .
C93 C96 H96B 109.5 . .
H96A C96 H96B 109.5 . .
C93 C96 H96C 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
C98 C97 C97 121.4(6) . 3_564
C98 C97 H97A 107.0 . .
C97 C97 H97A 107.0 3_564 .
C98 C97 H97B 107.0 . .
C97 C97 H97B 107.0 3_564 .
H97A C97 H97B 106.7 . .
C97 C98 C99 116.6(5) . .
C97 C98 H98A 108.1 . .
C99 C98 H98A 108.1 . .
C97 C98 H98B 108.1 . .
C99 C98 H98B 108.1 . .
H98A C98 H98B 107.3 . .
C98 C99 H99A 109.5 . .
C98 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
C98 C99 H99C 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O1 1.6636(17) .
Si1 C11 1.869(3) .
Si1 C17 1.899(3) .
Si1 C14 1.899(3) .
Si2 O2 1.6655(16) .
Si2 C26 1.868(3) .
Si2 C20 1.876(3) .
Si2 C23 1.886(2) .
O1 C1 1.369(3) .
O2 C9 1.371(3) .
O3 N1 1.461(2) .
N1 C29 1.481(3) .
N1 C39 1.482(3) .
C1 C6 1.380(3) .
C1 C2 1.413(3) .
C2 C3 1.369(3) .
C2 H2 0.9500 .
C3 C4 1.417(3) .
C3 H3 0.9500 .
C4 C7 1.414(3) .
C4 C5 1.421(3) .
C5 C10 1.422(3) .
C5 C6 1.428(3) .
C6 C29 1.517(3) .
C7 C8 1.365(3) .
C7 H7 0.9500 .
C8 C9 1.415(3) .
C8 H8 0.9500 .
C9 C10 1.377(3) .
C10 C39 1.509(3) .
C11 C12 1.534(4) .
C11 C13 1.542(4) .
C11 H11 1.0000 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.526(4) .
C14 C16 1.527(4) .
C14 H14 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.509(4) .
C17 C19 1.545(4) .
C17 H17 1.0000 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.522(4) .
C20 C22 1.550(4) .
C20 H20 1.0000 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C25 1.535(4) .
C23 C24 1.536(3) .
C23 H23 1.0000 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 C27 1.535(4) .
C26 C28 1.539(3) .
C26 H26 1.0000 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.531(3) .
C29 H29 1.0000 .
C30 C35 1.403(3) .
C30 C31 1.416(3) .
C31 C32 1.394(3) .
C31 C36 1.509(3) .
C32 C33 1.377(4) .
C32 H32 0.9500 .
C33 C34 1.381(4) .
C33 C37 1.513(3) .
C34 C35 1.406(3) .
C34 H34 0.9500 .
C35 C38 1.510(3) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C40 1.535(3) .
C39 H39 1.0000 .
C40 C41 1.407(3) .
C40 C45 1.417(3) .
C41 C42 1.399(3) .
C41 C46 1.514(3) .
C42 C43 1.382(4) .
C42 H42 0.9500 .
C43 C44 1.387(3) .
C43 C47 1.510(3) .
C44 C45 1.385(3) .
C44 H44 0.9500 .
C45 C48 1.517(3) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
Si3 O4 1.6702(17) .
Si3 C62 1.871(3) .
Si3 C65 1.879(3) .
Si3 C59 1.885(3) .
Si4 O5 1.6645(17) .
Si4 C68B 1.757(11) .
Si4 C74A 1.818(5) .
Si4 C71A 1.843(3) .
Si4 C74B 1.845(8) .
Si4 C71B 1.943(7) .
Si4 C68A 1.999(4) .
O4 C49 1.376(3) .
O5 C57 1.372(3) .
O6 N2 1.438(2) .
N2 C87 1.477(3) .
N2 C77 1.478(3) .
C49 C54 1.374(3) .
C49 C50 1.409(3) .
C50 C51 1.361(3) .
C50 H50 0.9500 .
C51 C52 1.407(3) .
C51 H51 0.9500 .
C52 C55 1.412(3) .
C52 C53 1.421(3) .
C53 C58 1.428(3) .
C53 C54 1.434(3) .
C54 C77 1.521(3) .
C55 C56 1.362(3) .
C55 H55 0.9500 .
C56 C57 1.408(3) .
C56 H56 0.9500 .
C57 C58 1.382(3) .
C58 C87 1.506(3) .
C59 C61 1.526(4) .
C59 C60 1.538(4) .
C59 H59 1.0000 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 C63 1.531(4) .
C62 C64 1.540(4) .
C62 H62 1.0000 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 C67B 1.288(9) .
C65 C67A 1.481(6) .
C65 C66 1.530(5) .
C65 H65 1.0000 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67A H67A 0.9800 .
C67A H67B 0.9800 .
C67A H67C 0.9800 .
C67B H67D 0.9800 .
C67B H67E 0.9800 .
C67B H67F 0.9800 .
C68A C69A 1.393(12) .
C68A C70A 1.510(6) .
C68A H68A 1.0000 .
C69A H69A 0.9800 .
C69A H69B 0.9800 .
C69A H69C 0.9800 .
C70A H70A 0.9800 .
C70A H70B 0.9800 .
C70A H70C 0.9800 .
C68B C70B 1.530(14) .
C68B C69B 1.59(3) .
C68B H68B 1.0000 .
C69B H69D 0.9800 .
C69B H69E 0.9800 .
C69B H69F 0.9800 .
C70B H70D 0.9800 .
C70B H70E 0.9800 .
C70B H70F 0.9800 .
C71A C72A 1.499(9) .
C71A C73A 1.536(5) .
C71A H71 1.0000 .
C72A H72A 0.9800 .
C72A H72B 0.9800 .
C72A H72C 0.9800 .
C73A H73A 0.9800 .
C73A H73B 0.9800 .
C73A H73C 0.9800 .
C71B C72B 1.505(10) .
C71B C73B 1.588(11) .
C71B H71B 1.0000 .
C73B H73D 0.9800 .
C73B H73E 0.9800 .
C73B H73F 0.9800 .
C72B H72D 0.9800 .
C72B H72E 0.9800 .
C72B H72F 0.9800 .
C74A C76A 1.518(6) .
C74A C75A 1.525(5) .
C74A H74A 1.0000 .
C75A H75A 0.9800 .
C75A H75B 0.9800 .
C75A H75C 0.9800 .
C76A H76A 0.9800 .
C76A H76B 0.9800 .
C76A H76C 0.9800 .
C74B C76B 1.517(8) .
C74B C75B 1.533(8) .
C74B H74B 1.0000 .
C75B H75D 0.9800 .
C75B H75E 0.9800 .
C75B H75F 0.9800 .
C76B H76D 0.9800 .
C76B H76E 0.9800 .
C76B H76F 0.9800 .
C77 C78 1.529(3) .
C77 H77 1.0000 .
C78 C79 1.408(3) .
C78 C83 1.410(3) .
C79 C80 1.393(3) .
C79 C84 1.518(3) .
C80 C81 1.388(3) .
C80 H80 0.9500 .
C81 C82 1.391(3) .
C81 C85 1.512(3) .
C82 C83 1.391(3) .
C82 H82 0.9500 .
C83 C86 1.517(3) .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 C88 1.531(3) .
C87 H87 1.0000 .
C88 C93 1.403(3) .
C88 C89 1.417(3) .
C89 C90 1.390(3) .
C89 C94 1.508(3) .
C90 C91 1.382(4) .
C90 H90 0.9500 .
C91 C92 1.381(4) .
C91 C95 1.511(4) .
C92 C93 1.397(3) .
C92 H92 0.9500 .
C93 C96 1.511(3) .
C94 H94A 0.9800 .
C94 H94B 0.9800 .
C94 H94C 0.9800 .
C95 H95A 0.9800 .
C95 H95B 0.9800 .
C95 H95C 0.9800 .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 H96C 0.9800 .
C97 C98 1.429(7) .
C97 C97 1.472(8) 3_564
C97 H97A 0.9900 .
C97 H97B 0.9900 .
C98 C99 1.520(6) .
C98 H98A 0.9900 .
C98 H98B 0.9900 .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
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
C11 Si1 O1 C1 -166.6(2) .
C17 Si1 O1 C1 -47.5(2) .
C14 Si1 O1 C1 74.2(2) .
C26 Si2 O2 C9 -85.1(2) .
C20 Si2 O2 C9 154.7(2) .
C23 Si2 O2 C9 37.9(2) .
Si1 O1 C1 C6 153.29(17) .
Si1 O1 C1 C2 -28.8(3) .
O1 C1 C2 C3 177.9(2) .
C6 C1 C2 C3 -4.2(3) .
C1 C2 C3 C4 -4.0(3) .
C2 C3 C4 C7 -173.5(2) .
C2 C3 C4 C5 4.4(3) .
C7 C4 C5 C10 6.1(3) .
C3 C4 C5 C10 -171.8(2) .
C7 C4 C5 C6 -178.9(2) .
C3 C4 C5 C6 3.1(3) .
O1 C1 C6 C5 -170.53(19) .
C2 C1 C6 C5 11.6(3) .
O1 C1 C6 C29 4.3(3) .
C2 C1 C6 C29 -173.6(2) .
C4 C5 C6 C1 -11.0(3) .
C10 C5 C6 C1 163.9(2) .
C4 C5 C6 C29 174.03(19) .
C10 C5 C6 C29 -11.1(3) .
C3 C4 C7 C8 174.8(2) .
C5 C4 C7 C8 -3.1(3) .
C4 C7 C8 C9 -1.6(3) .
Si2 O2 C9 C10 -171.55(17) .
Si2 O2 C9 C8 7.1(3) .
C7 C8 C9 O2 -175.1(2) .
C7 C8 C9 C10 3.4(3) .
O2 C9 C10 C5 178.27(19) .
C8 C9 C10 C5 -0.3(3) .
O2 C9 C10 C39 -3.8(3) .
C8 C9 C10 C39 177.6(2) .
C4 C5 C10 C9 -4.4(3) .
C6 C5 C10 C9 -179.3(2) .
C4 C5 C10 C39 177.58(19) .
C6 C5 C10 C39 2.7(3) .
O1 Si1 C11 C12 -58.8(2) .
C17 Si1 C11 C12 -179.3(2) .
C14 Si1 C11 C12 58.7(2) .
O1 Si1 C11 C13 68.8(2) .
C17 Si1 C11 C13 -51.7(2) .
C14 Si1 C11 C13 -173.6(2) .
O1 Si1 C14 C15 157.90(19) .
C11 Si1 C14 C15 43.3(2) .
C17 Si1 C14 C15 -78.9(2) .
O1 Si1 C14 C16 32.5(2) .
C11 Si1 C14 C16 -82.1(2) .
C17 Si1 C14 C16 155.67(19) .
O1 Si1 C17 C18 -21.6(2) .
C11 Si1 C17 C18 94.0(2) .
C14 Si1 C17 C18 -142.9(2) .
O1 Si1 C17 C19 107.3(2) .
C11 Si1 C17 C19 -137.1(2) .
C14 Si1 C17 C19 -14.1(3) .
O2 Si2 C20 C21 26.4(2) .
C26 Si2 C20 C21 -91.9(2) .
C23 Si2 C20 C21 144.3(2) .
O2 Si2 C20 C22 154.0(2) .
C26 Si2 C20 C22 35.7(2) .
C23 Si2 C20 C22 -88.1(2) .
O2 Si2 C23 C25 44.9(2) .
C26 Si2 C23 C25 166.45(18) .
C20 Si2 C23 C25 -69.6(2) .
O2 Si2 C23 C24 168.64(17) .
C26 Si2 C23 C24 -69.8(2) .
C20 Si2 C23 C24 54.1(2) .
O2 Si2 C26 C27 64.4(2) .
C20 Si2 C26 C27 -179.82(18) .
C23 Si2 C26 C27 -57.8(2) .
O2 Si2 C26 C28 -60.0(2) .
C20 Si2 C26 C28 55.8(2) .
C23 Si2 C26 C28 177.84(17) .
O3 N1 C29 C6 -65.5(2) .
C39 N1 C29 C6 48.6(2) .
O3 N1 C29 C30 66.85(19) .
C39 N1 C29 C30 -178.98(17) .
C1 C6 C29 N1 170.62(19) .
C5 C6 C29 N1 -14.6(3) .
C1 C6 C29 C30 44.6(3) .
C5 C6 C29 C30 -140.6(2) .
N1 C29 C30 C35 -94.9(2) .
C6 C29 C30 C35 34.4(3) .
N1 C29 C30 C31 80.1(2) .
C6 C29 C30 C31 -150.5(2) .
C35 C30 C31 C32 -1.6(3) .
C29 C30 C31 C32 -176.9(2) .
C35 C30 C31 C36 176.5(2) .
C29 C30 C31 C36 1.2(3) .
C30 C31 C32 C33 -0.2(4) .
C36 C31 C32 C33 -178.3(2) .
C31 C32 C33 C34 1.3(4) .
C31 C32 C33 C37 -179.6(2) .
C32 C33 C34 C35 -0.8(4) .
C37 C33 C34 C35 -179.9(2) .
C31 C30 C35 C34 2.1(3) .
C29 C30 C35 C34 176.9(2) .
C31 C30 C35 C38 -176.4(2) .
C29 C30 C35 C38 -1.6(4) .
C33 C34 C35 C30 -0.9(3) .
C33 C34 C35 C38 177.7(2) .
O3 N1 C39 C10 60.1(2) .
C29 N1 C39 C10 -56.1(2) .
O3 N1 C39 C40 -166.27(15) .
C29 N1 C39 C40 77.5(2) .
C9 C10 C39 N1 -147.4(2) .
C5 C10 C39 N1 30.5(3) .
C9 C10 C39 C40 87.1(3) .
C5 C10 C39 C40 -94.9(2) .
N1 C39 C40 C41 -108.0(2) .
C10 C39 C40 C41 19.5(3) .
N1 C39 C40 C45 68.9(2) .
C10 C39 C40 C45 -163.57(19) .
C45 C40 C41 C42 -2.4(3) .
C39 C40 C41 C42 174.4(2) .
C45 C40 C41 C46 177.4(2) .
C39 C40 C41 C46 -5.7(4) .
C40 C41 C42 C43 1.0(4) .
C46 C41 C42 C43 -178.8(2) .
C41 C42 C43 C44 0.9(4) .
C41 C42 C43 C47 179.7(2) .
C42 C43 C44 C45 -1.4(4) .
C47 C43 C44 C45 179.8(2) .
C43 C44 C45 C40 0.0(3) .
C43 C44 C45 C48 -179.7(2) .
C41 C40 C45 C44 2.0(3) .
C39 C40 C45 C44 -175.2(2) .
C41 C40 C45 C48 -178.4(2) .
C39 C40 C45 C48 4.4(3) .
C62 Si3 O4 C49 164.7(2) .
C65 Si3 O4 C49 47.1(2) .
C59 Si3 O4 C49 -73.4(2) .
C68B Si4 O5 C57 -10.7(5) .
C74A Si4 O5 C57 -170.8(2) .
C71A Si4 O5 C57 61.2(3) .
C74B Si4 O5 C57 -150.5(3) .
C71B Si4 O5 C57 104.3(4) .
C68A Si4 O5 C57 -56.3(2) .
Si3 O4 C49 C54 -133.2(2) .
Si3 O4 C49 C50 49.9(3) .
C54 C49 C50 C51 4.4(4) .
O4 C49 C50 C51 -178.8(2) .
C49 C50 C51 C52 3.2(4) .
C50 C51 C52 C55 172.2(2) .
C50 C51 C52 C53 -4.1(4) .
C51 C52 C53 C58 171.2(2) .
C55 C52 C53 C58 -5.2(3) .
C51 C52 C53 C54 -2.3(3) .
C55 C52 C53 C54 -178.7(2) .
O4 C49 C54 C53 172.57(19) .
C50 C49 C54 C53 -10.6(3) .
O4 C49 C54 C77 0.5(3) .
C50 C49 C54 C77 177.3(2) .
C52 C53 C54 C49 9.5(3) .
C58 C53 C54 C49 -164.0(2) .
C52 C53 C54 C77 -178.1(2) .
C58 C53 C54 C77 8.4(3) .
C51 C52 C55 C56 -171.7(2) .
C53 C52 C55 C56 4.5(4) .
C52 C55 C56 C57 0.1(4) .
Si4 O5 C57 C58 143.58(19) .
Si4 O5 C57 C56 -37.3(3) .
C55 C56 C57 O5 176.8(2) .
C55 C56 C57 C58 -4.1(4) .
O5 C57 C58 C53 -177.50(19) .
C56 C57 C58 C53 3.4(3) .
O5 C57 C58 C87 2.5(3) .
C56 C57 C58 C87 -176.6(2) .
C52 C53 C58 C57 1.3(3) .
C54 C53 C58 C57 174.8(2) .
C52 C53 C58 C87 -178.8(2) .
C54 C53 C58 C87 -5.3(3) .
O4 Si3 C59 C61 -36.2(2) .
C62 Si3 C59 C61 77.4(2) .
C65 Si3 C59 C61 -155.3(2) .
O4 Si3 C59 C60 -162.3(2) .
C62 Si3 C59 C60 -48.8(3) .
C65 Si3 C59 C60 78.5(3) .
O4 Si3 C62 C63 64.43(19) .
C65 Si3 C62 C63 179.59(19) .
C59 Si3 C62 C63 -53.7(2) .
O4 Si3 C62 C64 -168.3(2) .
C65 Si3 C62 C64 -53.1(3) .
C59 Si3 C62 C64 73.6(3) .
O4 Si3 C65 C67B -77.7(6) .
C62 Si3 C65 C67B 171.3(5) .
C59 Si3 C65 C67B 42.2(6) .
O4 Si3 C65 C67A -153.5(4) .
C62 Si3 C65 C67A 95.5(4) .
C59 Si3 C65 C67A -33.6(4) .
O4 Si3 C65 C66 64.0(3) .
C62 Si3 C65 C66 -47.0(3) .
C59 Si3 C65 C66 -176.1(3) .
O5 Si4 C68A C69A 81.1(6) .
C68B Si4 C68A C69A -35.9(8) .
C74A Si4 C68A C69A -168.3(6) .
C71A Si4 C68A C69A -41.3(6) .
C74B Si4 C68A C69A -172.9(7) .
C71B Si4 C68A C69A -61.9(8) .
O5 Si4 C68A C70A -150.8(3) .
C68B Si4 C68A C70A 92.2(6) .
C74A Si4 C68A C70A -40.2(4) .
C71A Si4 C68A C70A 86.8(4) .
C74B Si4 C68A C70A -44.7(5) .
C71B Si4 C68A C70A 66.2(7) .
O5 Si4 C68B C70B -171.5(7) .
C74A Si4 C68B C70B -18.3(12) .
C71A Si4 C68B C70B 84.0(9) .
C74B Si4 C68B C70B -37.8(11) .
C71B Si4 C68B C70B 75.6(9) .
C68A Si4 C68B C70B -90.2(9) .
O5 Si4 C68B C69B -44.9(13) .
C74A Si4 C68B C69B 108.2(12) .
C71A Si4 C68B C69B -149.4(13) .
C74B Si4 C68B C69B 88.8(12) .
C71B Si4 C68B C69B -157.9(12) .
C68A Si4 C68B C69B 36.4(11) .
O5 Si4 C71A C72A 42.7(8) .
C68B Si4 C71A C72A 154.8(9) .
C74A Si4 C71A C72A -78.5(8) .
C74B Si4 C71A C72A -96.5(9) .
C71B Si4 C71A C72A -37.3(9) .
C68A Si4 C71A C72A 159.0(8) .
O5 Si4 C71A C73A 168.4(3) .
C68B Si4 C71A C73A -79.5(5) .
C74A Si4 C71A C73A 47.2(4) .
C74B Si4 C71A C73A 29.2(6) .
C71B Si4 C71A C73A 88.4(5) .
C68A Si4 C71A C73A -75.3(4) .
O5 Si4 C71B C72B -79(2) .
C68B Si4 C71B C72B 47(2) .
C74A Si4 C71B C72B 179(2) .
C71A Si4 C71B C72B 35(2) .
C74B Si4 C71B C72B 173(2) .
C68A Si4 C71B C72B 65(2) .
O5 Si4 C71B C73B 150.9(7) .
C68B Si4 C71B C73B -83.9(8) .
C74A Si4 C71B C73B 48.4(8) .
C71A Si4 C71B C73B -95.1(8) .
C74B Si4 C71B C73B 42.3(9) .
C68A Si4 C71B C73B -65.5(10) .
O5 Si4 C74A C76A -61.7(4) .
C68B Si4 C74A C76A 142.2(6) .
C71A Si4 C74A C76A 65.2(4) .
C74B Si4 C74A C76A -159.8(17) .
C71B Si4 C74A C76A 38.3(4) .
C68A Si4 C74A C76A -173.3(3) .
O5 Si4 C74A C75A 61.9(4) .
C68B Si4 C74A C75A -94.2(7) .
C71A Si4 C74A C75A -171.2(4) .
C74B Si4 C74A C75A -36.2(13) .
C71B Si4 C74A C75A 161.9(5) .
C68A Si4 C74A C75A -49.7(5) .
O5 Si4 C74B C76B -47.2(8) .
C68B Si4 C74B C76B 173.5(8) .
C74A Si4 C74B C76B 39.8(12) .
C71A Si4 C74B C76B 94.7(9) .
C71B Si4 C74B C76B 58.1(9) .
C68A Si4 C74B C76B -153.0(8) .
O5 Si4 C74B C75B 80.4(8) .
C68B Si4 C74B C75B -58.9(10) .
C74A Si4 C74B C75B 167(2) .
C71A Si4 C74B C75B -137.7(6) .
C71B Si4 C74B C75B -174.2(8) .
C68A Si4 C74B C75B -25.3(8) .
O6 N2 C77 C54 68.7(2) .
C87 N2 C77 C54 -49.3(2) .
O6 N2 C77 C78 -64.4(2) .
C87 N2 C77 C78 177.62(17) .
C49 C54 C77 N2 -169.1(2) .
C53 C54 C77 N2 18.9(3) .
C49 C54 C77 C78 -41.9(3) .
C53 C54 C77 C78 146.1(2) .
N2 C77 C78 C79 91.8(2) .
C54 C77 C78 C79 -38.9(3) .
N2 C77 C78 C83 -82.0(2) .
C54 C77 C78 C83 147.3(2) .
C83 C78 C79 C80 -1.9(3) .
C77 C78 C79 C80 -175.6(2) .
C83 C78 C79 C84 177.7(2) .
C77 C78 C79 C84 4.0(3) .
C78 C79 C80 C81 0.9(3) .
C84 C79 C80 C81 -178.7(2) .
C79 C80 C81 C82 0.7(3) .
C79 C80 C81 C85 -179.5(2) .
C80 C81 C82 C83 -1.3(3) .
C85 C81 C82 C83 179.0(2) .
C81 C82 C83 C78 0.2(3) .
C81 C82 C83 C86 178.8(2) .
C79 C78 C83 C82 1.4(3) .
C77 C78 C83 C82 175.53(19) .
C79 C78 C83 C86 -177.1(2) .
C77 C78 C83 C86 -3.0(3) .
O6 N2 C87 C58 -68.0(2) .
C77 N2 C87 C58 51.7(2) .
O6 N2 C87 C88 159.02(16) .
C77 N2 C87 C88 -81.3(2) .
C57 C58 C87 N2 155.1(2) .
C53 C58 C87 N2 -24.8(3) .
C57 C58 C87 C88 -79.8(3) .
C53 C58 C87 C88 100.3(2) .
N2 C87 C88 C93 102.4(2) .
C58 C87 C88 C93 -25.9(3) .
N2 C87 C88 C89 -73.4(2) .
C58 C87 C88 C89 158.3(2) .
C93 C88 C89 C90 -1.9(3) .
C87 C88 C89 C90 174.2(2) .
C93 C88 C89 C94 178.8(2) .
C87 C88 C89 C94 -5.1(3) .
C88 C89 C90 C91 0.9(4) .
C94 C89 C90 C91 -179.8(2) .
C89 C90 C91 C92 0.8(4) .
C89 C90 C91 C95 -177.3(3) .
C90 C91 C92 C93 -1.6(4) .
C95 C91 C92 C93 176.6(3) .
C91 C92 C93 C88 0.6(4) .
C91 C92 C93 C96 -178.3(2) .
C89 C88 C93 C92 1.2(3) .
C87 C88 C93 C92 -174.5(2) .
C89 C88 C93 C96 180.0(2) .
C87 C88 C93 C96 4.3(4) .
C97 C97 C98 C99 178.9(5) 3_564
