#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:45:10 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178699 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/10/4081056.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_4081056
loop_
_publ_author_name
'Mansell, Stephen M.'
'Farnaby, Joy H.'
'Germeroth, Anne I.'
'Arnold, Polly L.'
_publ_section_title
;
 Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting
 Ligands
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4214
_journal_paper_doi               10.1021/om4003957
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety
'C108 H132 O4 Si4 U, 0.31(C14 H10), 3(C6 H14)'
_chemical_formula_sum            'C130.27 H177.06 O4 Si4 U'
_chemical_formula_weight         2157.46
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.417(2)
_cell_angle_beta                 95.6393(19)
_cell_angle_gamma                117.137(2)
_cell_formula_units_Z            2
_cell_length_a                   16.1405(4)
_cell_length_b                   17.1050(4)
_cell_length_c                   25.3526(6)
_cell_measurement_reflns_used    23754
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.4248
_cell_measurement_theta_min      2.8838
_cell_volume                     6052.6(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean 16.1042
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0672
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            113175
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.89
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.430
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85971
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2277
_exptl_crystal_size_max          0.4494
_exptl_crystal_size_mid          0.2480
_exptl_crystal_size_min          0.1224
_refine_diff_density_max         1.418
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1301
_refine_ls_number_reflns         27717
_refine_ls_number_restraints     160
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0511P)²+4.9202P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                22267
_reflns_number_total             27717
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4003957_si_002.cif
_cod_data_source_block           U{OSi(Mes)3}4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4081056
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.0538(3) 0.5309(3) 0.65795(15) 0.0304(9) Uani 1 1 d .
C2 C 0.0205(3) 0.4601(3) 0.61123(17) 0.0381(10) Uani 1 1 d .
C3 C 0.0619(4) 0.4745(4) 0.56548(18) 0.0484(12) Uani 1 1 d .
H3 H 0.0383 0.4261 0.5347 0.058 Uiso 1 1 calc R
C4 C 0.1362(4) 0.5566(4) 0.56303(18) 0.0469(12) Uani 1 1 d .
C5 C 0.1702(3) 0.6244(3) 0.60869(17) 0.0433(11) Uani 1 1 d .
H5 H 0.2218 0.6810 0.6081 0.052 Uiso 1 1 calc R
C6 C 0.1322(3) 0.6136(3) 0.65606(16) 0.0332(9) Uani 1 1 d .
C7 C -0.0567(4) 0.3652(3) 0.60880(19) 0.0516(13) Uani 1 1 d .
H7A H -0.1188 0.3628 0.6025 0.077 Uiso 1 1 calc R
H7B H -0.0476 0.3479 0.6432 0.077 Uiso 1 1 calc R
H7C H -0.0536 0.3235 0.5791 0.077 Uiso 1 1 calc R
C8 C 0.1806(4) 0.5707(4) 0.5126(2) 0.0695(17) Uani 1 1 d .
H8A H 0.2248 0.6348 0.5165 0.104 Uiso 1 1 calc R
H8B H 0.1307 0.5504 0.4806 0.104 Uiso 1 1 calc R
H8C H 0.2149 0.5361 0.5082 0.104 Uiso 1 1 calc R
C9 C 0.1798(3) 0.6927(3) 0.70376(18) 0.0407(11) Uani 1 1 d .
H9A H 0.2453 0.7312 0.7001 0.061 Uiso 1 1 calc R
H9B H 0.1799 0.6709 0.7374 0.061 Uiso 1 1 calc R
H9C H 0.1453 0.7273 0.7047 0.061 Uiso 1 1 calc R
C10 C -0.1187(3) 0.4209(3) 0.71531(15) 0.0304(9) Uani 1 1 d .
C11 C -0.1973(3) 0.4179(3) 0.68171(16) 0.0322(9) Uani 1 1 d .
C12 C -0.2890(3) 0.3505(3) 0.67846(19) 0.0411(11) Uani 1 1 d .
H12 H -0.3393 0.3503 0.6556 0.049 Uiso 1 1 calc R
C13 C -0.3099(3) 0.2830(3) 0.7075(2) 0.0485(12) Uani 1 1 d .
C14 C -0.2347(4) 0.2829(3) 0.7380(2) 0.0466(12) Uani 1 1 d .
H14 H -0.2471 0.2362 0.7573 0.056 Uiso 1 1 calc R
C15 C -0.1402(3) 0.3488(3) 0.74194(17) 0.0365(10) Uani 1 1 d .
C16 C -0.1829(3) 0.4862(3) 0.64769(17) 0.0399(10) Uani 1 1 d .
H16A H -0.2347 0.4600 0.6162 0.060 Uiso 1 1 calc R
H16B H -0.1224 0.5043 0.6353 0.060 Uiso 1 1 calc R
H16C H -0.1820 0.5390 0.6694 0.060 Uiso 1 1 calc R
C17 C -0.4108(4) 0.2116(4) 0.7042(3) 0.0734(18) Uani 1 1 d .
H17A H -0.4179 0.1935 0.7391 0.110 Uiso 1 1 calc R
H17B H -0.4259 0.1592 0.6756 0.110 Uiso 1 1 calc R
H17C H -0.4540 0.2356 0.6956 0.110 Uiso 1 1 calc R
C18 C -0.0651(4) 0.3351(3) 0.7740(2) 0.0517(13) Uani 1 1 d .
H18A H -0.0143 0.3442 0.7535 0.078 Uiso 1 1 calc R
H18B H -0.0937 0.2738 0.7804 0.078 Uiso 1 1 calc R
H18C H -0.0390 0.3784 0.8090 0.078 Uiso 1 1 calc R
C19 C 0.0932(3) 0.5291(3) 0.78069(15) 0.0295(9) Uani 1 1 d .
C20 C 0.0866(3) 0.5567(3) 0.83500(16) 0.0297(9) Uani 1 1 d .
C21 C 0.1580(3) 0.5746(3) 0.87810(17) 0.0397(10) Uani 1 1 d .
H21 H 0.1525 0.5940 0.9140 0.048 Uiso 1 1 calc R
C22 C 0.2362(3) 0.5650(3) 0.86999(19) 0.0466(12) Uani 1 1 d .
C23 C 0.2389(3) 0.5309(3) 0.8176(2) 0.0476(12) Uani 1 1 d .
H23 H 0.2902 0.5197 0.8118 0.057 Uiso 1 1 calc R
C24 C 0.1699(3) 0.5121(3) 0.77291(18) 0.0395(10) Uani 1 1 d .
C25 C 0.0018(3) 0.5640(3) 0.84915(16) 0.0383(10) Uani 1 1 d .
H25A H -0.0051 0.5542 0.8859 0.057 Uiso 1 1 calc R
H25B H -0.0552 0.5184 0.8233 0.057 Uiso 1 1 calc R
H25C H 0.0104 0.6240 0.8474 0.057 Uiso 1 1 calc R
C26 C 0.3166(4) 0.5900(5) 0.9168(2) 0.0774(19) Uani 1 1 d .
H26A H 0.2976 0.6024 0.9512 0.116 Uiso 1 1 calc R
H26B H 0.3731 0.6437 0.9132 0.116 Uiso 1 1 calc R
H26C H 0.3309 0.5400 0.9160 0.116 Uiso 1 1 calc R
C27 C 0.1776(4) 0.4679(4) 0.7189(2) 0.0571(14) Uani 1 1 d .
H27A H 0.1143 0.4225 0.6992 0.086 Uiso 1 1 calc R
H27B H 0.2171 0.4391 0.7249 0.086 Uiso 1 1 calc R
H27C H 0.2065 0.5135 0.6975 0.086 Uiso 1 1 calc R
C28 C 0.1823(3) 1.0446(3) 0.81275(15) 0.0287(9) Uani 1 1 d .
C29 C 0.2334(3) 1.1213(3) 0.79116(18) 0.0386(10) Uani 1 1 d .
C30 C 0.2062(4) 1.1888(3) 0.7947(2) 0.0515(13) Uani 1 1 d .
H30 H 0.2400 1.2390 0.7793 0.062 Uiso 1 1 calc R
C31 C 0.1329(4) 1.1856(3) 0.8195(2) 0.0559(14) Uani 1 1 d .
C32 C 0.0840(3) 1.1114(3) 0.84123(19) 0.0415(11) Uani 1 1 d .
H32 H 0.0327 1.1072 0.8582 0.050 Uiso 1 1 calc R
C33 C 0.1079(3) 1.0429(3) 0.83893(16) 0.0319(9) Uani 1 1 d .
C34 C 0.3203(4) 1.1382(3) 0.7664(2) 0.0526(13) Uani 1 1 d .
H34A H 0.3010 1.0973 0.7309 0.079 Uiso 1 1 calc R
H34B H 0.3639 1.1277 0.7903 0.079 Uiso 1 1 calc R
H34C H 0.3520 1.2006 0.7620 0.079 Uiso 1 1 calc R
C35 C 0.1066(6) 1.2618(4) 0.8235(3) 0.097(2) Uani 1 1 d .
H35A H 0.1456 1.3063 0.8038 0.146 Uiso 1 1 calc R
H35B H 0.1178 1.2907 0.8617 0.146 Uiso 1 1 calc R
H35C H 0.0395 1.2369 0.8075 0.146 Uiso 1 1 calc R
C36 C 0.0524(3) 0.9683(3) 0.86646(17) 0.0371(10) Uani 1 1 d .
H36A H 0.0247 0.9899 0.8940 0.056 Uiso 1 1 calc R
H36B H 0.0946 0.9488 0.8839 0.056 Uiso 1 1 calc R
H36C H 0.0016 0.9175 0.8395 0.056 Uiso 1 1 calc R
C37 C 0.2881(3) 0.9463(3) 0.75954(16) 0.0289(8) Uani 1 1 d .
C38 C 0.2486(3) 0.9220(3) 0.70352(16) 0.0340(9) Uani 1 1 d .
C39 C 0.3003(4) 0.9146(3) 0.66426(19) 0.0485(12) Uani 1 1 d .
H39 H 0.2715 0.8974 0.6270 0.058 Uiso 1 1 calc R
C40 C 0.3932(4) 0.9317(4) 0.6783(2) 0.0592(14) Uani 1 1 d .
C41 C 0.4341(4) 0.9611(4) 0.7328(2) 0.0539(13) Uani 1 1 d .
H41 H 0.4985 0.9756 0.7430 0.065 Uiso 1 1 calc R
C42 C 0.3848(3) 0.9703(3) 0.77343(18) 0.0397(10) Uani 1 1 d .
C43 C 0.1511(3) 0.9092(3) 0.68335(17) 0.0441(11) Uani 1 1 d .
H43A H 0.1489 0.9243 0.6476 0.066 Uiso 1 1 calc R
H43B H 0.1374 0.9487 0.7089 0.066 Uiso 1 1 calc R
H43C H 0.1038 0.8464 0.6805 0.066 Uiso 1 1 calc R
C44 C 0.4496(5) 0.9224(6) 0.6356(3) 0.099(3) Uani 1 1 d .
H44A H 0.4389 0.8604 0.6273 0.149 Uiso 1 1 calc R
H44B H 0.5172 0.9635 0.6494 0.149 Uiso 1 1 calc R
H44C H 0.4292 0.9373 0.6026 0.149 Uiso 1 1 calc R
C45 C 0.4418(3) 1.0104(4) 0.8307(2) 0.0549(14) Uani 1 1 d .
H45A H 0.5096 1.0401 0.8294 0.082 Uiso 1 1 calc R
H45B H 0.4276 0.9624 0.8509 0.082 Uiso 1 1 calc R
H45C H 0.4251 1.0544 0.8488 0.082 Uiso 1 1 calc R
C46 C 0.2608(3) 0.9408(2) 0.87956(15) 0.0255(8) Uani 1 1 d .
C47 C 0.2683(3) 0.8626(3) 0.88384(16) 0.0296(9) Uani 1 1 d .
C48 C 0.3073(3) 0.8543(3) 0.93298(18) 0.0425(11) Uani 1 1 d .
H48 H 0.3108 0.8008 0.9346 0.051 Uiso 1 1 calc R
C49 C 0.3410(4) 0.9216(4) 0.97936(18) 0.0494(13) Uani 1 1 d .
C50 C 0.3354(3) 0.9991(3) 0.97512(18) 0.0485(12) Uani 1 1 d .
H50 H 0.3585 1.0463 1.0065 0.058 Uiso 1 1 calc R
C51 C 0.2973(3) 1.0108(3) 0.92681(16) 0.0344(9) Uani 1 1 d .
C52 C 0.2388(3) 0.7861(3) 0.83616(17) 0.0375(10) Uani 1 1 d .
H52A H 0.2707 0.7508 0.8437 0.056 Uiso 1 1 calc R
H52B H 0.2566 0.8100 0.8038 0.056 Uiso 1 1 calc R
H52C H 0.1700 0.7475 0.8299 0.056 Uiso 1 1 calc R
C53 C 0.3854(5) 0.9122(5) 1.0319(2) 0.081(2) Uani 1 1 d .
H53A H 0.3755 0.9467 1.0627 0.122 Uiso 1 1 calc R
H53B H 0.4535 0.9351 1.0331 0.122 Uiso 1 1 calc R
H53C H 0.3560 0.8486 1.0340 0.122 Uiso 1 1 calc R
C54 C 0.3019(4) 1.1011(3) 0.92897(19) 0.0477(12) Uani 1 1 d .
H54A H 0.3402 1.1416 0.9637 0.072 Uiso 1 1 calc R
H54B H 0.2377 1.0940 0.9256 0.072 Uiso 1 1 calc R
H54C H 0.3307 1.1264 0.8991 0.072 Uiso 1 1 calc R
C55 C -0.1989(3) 0.8391(3) 0.66189(16) 0.0326(9) Uani 1 1 d .
C56 C -0.1323(3) 0.9187(3) 0.69912(17) 0.0350(10) Uani 1 1 d .
C57 C -0.1584(3) 0.9805(3) 0.7241(2) 0.0465(12) Uani 1 1 d .
H57 H -0.1116 1.0334 0.7490 0.056 Uiso 1 1 calc R
C58 C -0.2500(4) 0.9671(4) 0.7138(3) 0.0640(16) Uani 1 1 d .
C59 C -0.3149(4) 0.8914(4) 0.6750(2) 0.0643(16) Uani 1 1 d .
H59 H -0.3778 0.8819 0.6660 0.077 Uiso 1 1 calc R
C60 C -0.2915(3) 0.8286(3) 0.6487(2) 0.0463(12) Uani 1 1 d .
C61 C -0.0288(3) 0.9441(3) 0.71211(19) 0.0418(11) Uani 1 1 d .
H61A H 0.0092 1.0096 0.7240 0.063 Uiso 1 1 calc R
H61B H -0.0097 0.9235 0.6796 0.063 Uiso 1 1 calc R
H61C H -0.0188 0.9155 0.7412 0.063 Uiso 1 1 calc R
C62 C -0.2777(5) 1.0330(4) 0.7427(3) 0.097(3) Uani 1 1 d .
H62A H -0.3280 1.0018 0.7625 0.145 Uiso 1 1 calc R
H62B H -0.3005 1.0582 0.7161 0.145 Uiso 1 1 calc R
H62C H -0.2224 1.0817 0.7683 0.145 Uiso 1 1 calc R
C63 C -0.3673(4) 0.7543(3) 0.6036(2) 0.0646(17) Uani 1 1 d .
H63A H -0.3402 0.7501 0.5711 0.097 Uiso 1 1 calc R
H63B H -0.4194 0.7678 0.5954 0.097 Uiso 1 1 calc R
H63C H -0.3915 0.6969 0.6153 0.097 Uiso 1 1 calc R
C64 C -0.2653(3) 0.6383(3) 0.60200(16) 0.0326(9) Uani 1 1 d .
C65 C -0.2888(3) 0.5996(3) 0.54556(17) 0.0443(11) Uani 1 1 d .
C66 C -0.3647(4) 0.5134(3) 0.5255(2) 0.0535(14) Uani 1 1 d .
H66 H -0.3788 0.4888 0.4877 0.064 Uiso 1 1 calc R
C67 C -0.4193(4) 0.4631(3) 0.5579(2) 0.0560(14) Uani 1 1 d .
C68 C -0.4001(3) 0.5009(3) 0.61231(19) 0.0426(11) Uani 1 1 d .
H68 H -0.4390 0.4674 0.6353 0.051 Uiso 1 1 calc R
C69 C -0.3252(3) 0.5870(3) 0.63491(16) 0.0345(10) Uani 1 1 d .
C70 C -0.2387(4) 0.6480(4) 0.50364(18) 0.0649(16) Uani 1 1 d .
H70A H -0.2764 0.6153 0.4673 0.097 Uiso 1 1 calc R
H70B H -0.1763 0.6510 0.5060 0.097 Uiso 1 1 calc R
H70C H -0.2308 0.7091 0.5104 0.097 Uiso 1 1 calc R
C71 C -0.5019(5) 0.3688(4) 0.5353(3) 0.092(2) Uani 1 1 d .
H71A H -0.5556 0.3731 0.5170 0.138 Uiso 1 1 calc R
H71B H -0.5207 0.3377 0.5650 0.138 Uiso 1 1 calc R
H71C H -0.4825 0.3351 0.5092 0.138 Uiso 1 1 calc R
C72 C -0.3134(3) 0.6227(3) 0.69422(17) 0.0430(11) Uani 1 1 d .
H72A H -0.3737 0.5909 0.7062 0.064 Uiso 1 1 calc R
H72B H -0.2936 0.6871 0.7007 0.064 Uiso 1 1 calc R
H72C H -0.2650 0.6133 0.7146 0.064 Uiso 1 1 calc R
C73 C -0.0709(3) 0.7930(3) 0.58975(16) 0.0328(9) Uani 1 1 d .
C74 C -0.0179(3) 0.7475(3) 0.57848(16) 0.0376(10) Uani 1 1 d .
C75 C 0.0522(4) 0.7771(3) 0.54773(18) 0.0478(12) Uani 1 1 d .
H75 H 0.0861 0.7447 0.5411 0.057 Uiso 1 1 calc R
C76 C 0.0745(4) 0.8536(4) 0.5262(2) 0.0575(14) Uani 1 1 d .
C77 C 0.0199(4) 0.8949(4) 0.5352(2) 0.0603(15) Uani 1 1 d .
H77 H 0.0321 0.9458 0.5200 0.072 Uiso 1 1 calc R
C78 C -0.0516(4) 0.8670(3) 0.56483(18) 0.0462(12) Uani 1 1 d .
C79 C -0.0375(3) 0.6617(3) 0.59755(17) 0.0396(10) Uani 1 1 d .
H79A H -0.0077 0.6768 0.6358 0.059 Uiso 1 1 calc R
H79B H -0.0114 0.6293 0.5757 0.059 Uiso 1 1 calc R
H79C H -0.1061 0.6237 0.5935 0.059 Uiso 1 1 calc R
C80 C 0.1531(5) 0.8863(5) 0.4939(3) 0.087(2) Uani 1 1 d .
H80A H 0.1337 0.9067 0.4631 0.130 Uiso 1 1 calc R
H80B H 0.1661 0.8371 0.4805 0.130 Uiso 1 1 calc R
H80C H 0.2105 0.9364 0.5172 0.130 Uiso 1 1 calc R
C81 C -0.1099(5) 0.9167(4) 0.5665(2) 0.0679(17) Uani 1 1 d .
H81A H -0.0973 0.9524 0.5385 0.102 Uiso 1 1 calc R
H81B H -0.0922 0.9566 0.6023 0.102 Uiso 1 1 calc R
H81C H -0.1774 0.8730 0.5598 0.102 Uiso 1 1 calc R
C82 C -0.1634(3) 0.8152(3) 0.89670(15) 0.0268(8) Uani 1 1 d .
C83 C -0.1382(3) 0.8671(3) 0.95041(16) 0.0344(9) Uani 1 1 d .
C84 C -0.1355(3) 0.9504(3) 0.95964(17) 0.0397(11) Uani 1 1 d .
H84 H -0.1167 0.9846 0.9959 0.048 Uiso 1 1 calc R
C85 C -0.1591(3) 0.9863(3) 0.91834(18) 0.0397(10) Uani 1 1 d .
C86 C -0.1884(3) 0.9332(3) 0.86605(17) 0.0366(10) Uani 1 1 d .
H86 H -0.2072 0.9545 0.8370 0.044 Uiso 1 1 calc R
C87 C -0.1910(3) 0.8498(3) 0.85513(16) 0.0303(9) Uani 1 1 d .
C88 C -0.1166(4) 0.8352(3) 0.99979(16) 0.0432(11) Uani 1 1 d .
H88A H -0.0541 0.8386 1.0018 0.065 Uiso 1 1 calc R
H88B H -0.1649 0.7729 0.9972 0.065 Uiso 1 1 calc R
H88C H -0.1168 0.8736 1.0325 0.065 Uiso 1 1 calc R
C89 C -0.1552(4) 1.0771(3) 0.9289(2) 0.0539(13) Uani 1 1 d .
H89A H -0.1865 1.0821 0.9595 0.081 Uiso 1 1 calc R
H89B H -0.1877 1.0838 0.8965 0.081 Uiso 1 1 calc R
H89C H -0.0889 1.1245 0.9376 0.081 Uiso 1 1 calc R
C90 C -0.2270(3) 0.7992(3) 0.79633(16) 0.0400(11) Uani 1 1 d .
H90A H -0.2669 0.8202 0.7780 0.060 Uiso 1 1 calc R
H90B H -0.2643 0.7346 0.7948 0.060 Uiso 1 1 calc R
H90C H -0.1731 0.8101 0.7782 0.060 Uiso 1 1 calc R
C91 C -0.2949(3) 0.6108(3) 0.84745(16) 0.0303(9) Uani 1 1 d .
C92 C -0.3114(3) 0.5310(3) 0.81162(16) 0.0321(9) Uani 1 1 d .
C93 C -0.4027(3) 0.4684(3) 0.78398(18) 0.0421(11) Uani 1 1 d .
H93 H -0.4116 0.4160 0.7598 0.050 Uiso 1 1 calc R
C94 C -0.4803(3) 0.4801(3) 0.7906(2) 0.0467(12) Uani 1 1 d .
C95 C -0.4655(3) 0.5534(3) 0.8284(2) 0.0502(13) Uani 1 1 d .
H95 H -0.5187 0.5607 0.8351 0.060 Uiso 1 1 calc R
C96 C -0.3759(3) 0.6178(3) 0.85762(19) 0.0399(10) Uani 1 1 d .
C97 C -0.2317(3) 0.5086(3) 0.80424(19) 0.0399(10) Uani 1 1 d .
H97A H -0.2575 0.4431 0.7957 0.060 Uiso 1 1 calc R
H97B H -0.1842 0.5345 0.8378 0.060 Uiso 1 1 calc R
H97C H -0.2021 0.5337 0.7745 0.060 Uiso 1 1 calc R
C98 C -0.5783(4) 0.4129(4) 0.7582(3) 0.0765(19) Uani 1 1 d .
H98A H -0.6251 0.4020 0.7820 0.115 Uiso 1 1 calc R
H98B H -0.5792 0.3563 0.7435 0.115 Uiso 1 1 calc R
H98C H -0.5940 0.4372 0.7284 0.115 Uiso 1 1 calc R
C99 C -0.3719(4) 0.6914(4) 0.9016(2) 0.0608(15) Uani 1 1 d .
H99A H -0.3268 0.7018 0.9341 0.091 Uiso 1 1 calc R
H99B H -0.4349 0.6725 0.9107 0.091 Uiso 1 1 calc R
H99C H -0.3514 0.7471 0.8883 0.091 Uiso 1 1 calc R
C100 C -0.1073(3) 0.6708(3) 0.93172(15) 0.0283(8) Uani 1 1 d .
C101 C -0.0065(3) 0.7204(3) 0.94714(15) 0.0292(9) Uani 1 1 d .
C102 C 0.0414(3) 0.6996(3) 0.98693(17) 0.0386(10) Uani 1 1 d .
H102 H 0.1086 0.7327 0.9959 0.046 Uiso 1 1 calc R
C103 C -0.0064(4) 0.6320(3) 1.0137(2) 0.0516(13) Uani 1 1 d .
C104 C -0.1039(4) 0.5859(3) 0.9998(2) 0.0562(14) Uani 1 1 d .
H104 H -0.1377 0.5399 1.0182 0.067 Uiso 1 1 calc R
C105 C -0.1554(3) 0.6031(3) 0.96015(17) 0.0405(10) Uani 1 1 d .
C106 C 0.0519(3) 0.7987(3) 0.92333(17) 0.0368(10) Uani 1 1 d .
H10A H 0.1136 0.8364 0.9474 0.055 Uiso 1 1 calc R
H10B H 0.0191 0.8341 0.9193 0.055 Uiso 1 1 calc R
H10C H 0.0613 0.7766 0.8877 0.055 Uiso 1 1 calc R
C107 C 0.0469(5) 0.6112(4) 1.0573(3) 0.083(2) Uani 1 1 d .
H10D H 0.0052 0.5838 1.0824 0.124 Uiso 1 1 calc R
H10E H 0.1024 0.6671 1.0773 0.124 Uiso 1 1 calc R
H10F H 0.0675 0.5695 1.0404 0.124 Uiso 1 1 calc R
C108 C -0.2619(4) 0.5484(4) 0.9513(2) 0.0623(15) Uani 1 1 d .
H10G H -0.2797 0.5143 0.9799 0.093 Uiso 1 1 calc R
H10H H -0.2854 0.5067 0.9158 0.093 Uiso 1 1 calc R
H10I H -0.2899 0.5887 0.9524 0.093 Uiso 1 1 calc R
C109 C 0.3791(13) 0.3836(10) 0.9336(6) 0.298(12) Uani 1 1 d DU
H10J H 0.3619 0.4020 0.9674 0.447 Uiso 1 1 calc R
H10K H 0.3232 0.3319 0.9102 0.447 Uiso 1 1 calc R
H10L H 0.4028 0.4336 0.9149 0.447 Uiso 1 1 calc R
C110 C 0.4577(10) 0.3567(8) 0.9467(5) 0.229(7) Uani 1 1 d DU
H11A H 0.5093 0.4075 0.9741 0.275 Uiso 1 1 calc R
H11B H 0.4306 0.3051 0.9646 0.275 Uiso 1 1 calc R
C111 C 0.5028(9) 0.3319(6) 0.9031(5) 0.169(5) Uani 1 1 d DU
H11C H 0.5382 0.3869 0.8892 0.203 Uiso 1 1 calc R
H11D H 0.4506 0.2883 0.8731 0.203 Uiso 1 1 calc R
C112 C 0.5697(9) 0.2926(7) 0.9129(5) 0.183(5) Uani 1 1 d DU
H11E H 0.6238 0.3343 0.9425 0.220 Uiso 1 1 calc R
H11F H 0.5357 0.2346 0.9240 0.220 Uiso 1 1 calc R
C113 C 0.6054(9) 0.2785(9) 0.8616(5) 0.181(5) Uani 1 1 d DU
H11G H 0.5554 0.2253 0.8349 0.217 Uiso 1 1 calc R
H11H H 0.6254 0.3319 0.8452 0.217 Uiso 1 1 calc R
C114 C 0.6877(10) 0.2641(12) 0.8786(7) 0.287(9) Uani 1 1 d DU
H11I H 0.7142 0.2538 0.8467 0.430 Uiso 1 1 calc R
H11J H 0.6667 0.2116 0.8952 0.430 Uiso 1 1 calc R
H11K H 0.7364 0.3175 0.9049 0.430 Uiso 1 1 calc R
C115 C 0.3581(12) 0.1469(12) 0.5909(9) 0.311(9) Uani 1 1 d DU
H11L H 0.3605 0.0907 0.5801 0.466 Uiso 1 1 calc R
H11M H 0.4033 0.1824 0.6248 0.466 Uiso 1 1 calc R
H11N H 0.3747 0.1814 0.5624 0.466 Uiso 1 1 calc R
C116 C 0.2612(13) 0.1262(12) 0.5990(8) 0.282(7) Uani 1 1 d DU
H11O H 0.2473 0.0918 0.6281 0.339 Uiso 1 1 calc R
H11P H 0.2171 0.0849 0.5654 0.339 Uiso 1 1 calc R
C117 C 0.2348(13) 0.2004(9) 0.6132(8) 0.284(7) Uani 1 1 d DU
H11Q H 0.2334 0.2281 0.5817 0.341 Uiso 1 1 calc R
H11R H 0.2818 0.2477 0.6440 0.341 Uiso 1 1 calc R
C118 C 0.1361(12) 0.1569(10) 0.6285(8) 0.275(6) Uani 1 1 d DU
H11S H 0.0919 0.1041 0.5995 0.330 Uiso 1 1 calc R
H11T H 0.1401 0.1358 0.6625 0.330 Uiso 1 1 calc R
C119 C 0.0991(13) 0.2224(10) 0.6360(8) 0.282(7) Uani 1 1 d DU
H11U H 0.0823 0.2347 0.6006 0.339 Uiso 1 1 calc R
H11V H 0.1472 0.2798 0.6603 0.339 Uiso 1 1 calc R
C120 C 0.0121(13) 0.1786(8) 0.6610(6) 0.253(7) Uani 1 1 d DU
H12A H -0.0187 0.2165 0.6640 0.379 Uiso 1 1 calc R
H12B H 0.0308 0.1716 0.6973 0.379 Uiso 1 1 calc R
H12C H -0.0322 0.1194 0.6381 0.379 Uiso 1 1 calc R
C121 C 0.5287(8) 0.8452(7) 0.8626(5) 0.178(5) Uani 1 1 d DU
H12D H 0.5229 0.8325 0.8989 0.267 Uiso 1 1 calc R
H12E H 0.5068 0.8889 0.8577 0.267 Uiso 1 1 calc R
H12F H 0.5952 0.8700 0.8587 0.267 Uiso 1 1 calc R
C122 C 0.4678(11) 0.7572(10) 0.8194(6) 0.242(6) Uani 1 1 d DU
H12G H 0.4758 0.7071 0.8296 0.291 Uiso 1 1 calc R
H12H H 0.3999 0.7409 0.8151 0.291 Uiso 1 1 calc R
C123 C 0.5018(11) 0.7762(11) 0.7706(6) 0.227(5) Uani 1 1 d DU
H12I H 0.5660 0.7819 0.7741 0.273 Uiso 1 1 calc R
H12J H 0.5077 0.8351 0.7664 0.273 Uiso 1 1 calc R
C124 C 0.4404(11) 0.7066(10) 0.7195(6) 0.222(5) Uani 1 1 d DU
H12K H 0.3744 0.6896 0.7239 0.266 Uiso 1 1 calc R
H12L H 0.4520 0.7402 0.6900 0.266 Uiso 1 1 calc R
C125 C 0.4383(11) 0.6243(10) 0.6974(5) 0.211(5) Uani 1 1 d DU
H12M H 0.4068 0.5818 0.7205 0.253 Uiso 1 1 calc R
H12N H 0.5049 0.6361 0.7020 0.253 Uiso 1 1 calc R
C126 C 0.3919(7) 0.5742(8) 0.6383(4) 0.159(4) Uani 1 1 d DU
H12O H 0.3969 0.5188 0.6311 0.238 Uiso 1 1 calc R
H12P H 0.4243 0.6126 0.6138 0.238 Uiso 1 1 calc R
H12Q H 0.3250 0.5592 0.6323 0.238 Uiso 1 1 calc R
O1 O -0.01177(18) 0.61291(17) 0.73934(10) 0.0262(6) Uani 1 1 d .
O2 O 0.10535(17) 0.85126(16) 0.78857(9) 0.0252(6) Uani 1 1 d .
O3 O -0.10494(18) 0.73964(17) 0.69045(10) 0.0269(6) Uani 1 1 d .
O4 O -0.10714(19) 0.71103(16) 0.82469(10) 0.0269(6) Uani 1 1 d .
Si1 Si 0.00311(8) 0.52330(7) 0.72316(4) 0.0256(2) Uani 1 1 d .
Si2 Si 0.20753(7) 0.94514(7) 0.80999(4) 0.0238(2) Uani 1 1 d .
Si3 Si -0.15955(8) 0.75259(7) 0.63614(4) 0.0283(2) Uani 1 1 d .
Si4 Si -0.16710(7) 0.70157(7) 0.87544(4) 0.0255(2) Uani 1 1 d .
U1 U -0.028128(10) 0.730386(9) 0.760904(5) 0.02185(5) Uani 1 1 d .
C127 C 0.5685(5) 0.9869(5) 0.5272(3) 0.089(3) Uani 0.611(7) 1 d PGU
C128 C 0.5747(6) 1.0716(6) 0.5343(3) 0.088(3) Uani 0.611(7) 1 d PGU
C129 C 0.6478(7) 1.1433(5) 0.5722(4) 0.116(4) Uani 0.611(7) 1 d PGU
H129 H 0.6520 1.2013 0.5770 0.139 Uiso 0.611(7) 1 calc PR
C130 C 0.7147(5) 1.1303(6) 0.6030(3) 0.122(4) Uani 0.611(7) 1 d PGU
H130 H 0.7646 1.1793 0.6289 0.146 Uiso 0.611(7) 1 calc PR
C131 C 0.7085(6) 1.0456(7) 0.5960(3) 0.118(4) Uani 0.611(7) 1 d PGU
H131 H 0.7542 1.0367 0.6171 0.142 Uiso 0.611(7) 1 calc PR
C132 C 0.6354(7) 0.9738(5) 0.5581(4) 0.104(3) Uani 0.611(7) 1 d PGU
H132 H 0.6312 0.9159 0.5533 0.125 Uiso 0.611(7) 1 calc PR
C133 C 0.4861(9) 0.9115(9) 0.4896(4) 0.088(3) Uani 0.611(7) 1 d PU
H133 H 0.4787 0.8523 0.4835 0.105 Uiso 0.611(7) 1 calc PR
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'
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'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C6 C1 C2 116.8(4) .
C6 C1 Si1 117.5(3) .
C2 C1 Si1 125.6(3) .
C3 C2 C1 120.4(4) .
C3 C2 C7 116.3(4) .
C1 C2 C7 123.2(4) .
C4 C3 C2 122.6(4) .
C4 C3 H3 118.7 .
C2 C3 H3 118.7 .
C5 C4 C3 117.2(4) .
C5 C4 C8 121.1(5) .
C3 C4 C8 121.7(4) .
C4 C5 C6 122.8(5) .
C4 C5 H5 118.6 .
C6 C5 H5 118.6 .
C5 C6 C1 120.2(4) .
C5 C6 C9 116.8(4) .
C1 C6 C9 123.0(4) .
C2 C7 H7A 109.5 .
C2 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C2 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C4 C8 H8A 109.5 .
C4 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C4 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C6 C9 H9A 109.5 .
C6 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C6 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C15 C10 C11 116.0(4) .
C15 C10 Si1 125.9(3) .
C11 C10 Si1 118.0(3) .
C12 C11 C10 121.2(4) .
C12 C11 C16 117.7(4) .
C10 C11 C16 121.1(4) .
C11 C12 C13 122.3(4) .
C11 C12 H12 118.8 .
C13 C12 H12 118.8 .
C14 C13 C12 117.1(4) .
C14 C13 C17 121.7(5) .
C12 C13 C17 121.2(5) .
C13 C14 C15 122.7(4) .
C13 C14 H14 118.6 .
C15 C14 H14 118.6 .
C14 C15 C10 120.5(4) .
C14 C15 C18 116.1(4) .
C10 C15 C18 123.4(4) .
C11 C16 H16A 109.5 .
C11 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
C11 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
C13 C17 H17A 109.5 .
C13 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C13 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C15 C18 H18A 109.5 .
C15 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C15 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C20 C19 C24 117.1(4) .
C20 C19 Si1 118.4(3) .
C24 C19 Si1 124.4(3) .
C21 C20 C19 120.6(4) .
C21 C20 C25 117.0(4) .
C19 C20 C25 122.3(4) .
C22 C21 C20 121.9(4) .
C22 C21 H21 119.1 .
C20 C21 H21 119.1 .
C21 C22 C23 117.5(4) .
C21 C22 C26 121.5(5) .
C23 C22 C26 121.0(5) .
C22 C23 C24 123.2(4) .
C22 C23 H23 118.4 .
C24 C23 H23 118.4 .
C23 C24 C19 119.3(4) .
C23 C24 C27 117.3(4) .
C19 C24 C27 123.3(4) .
C20 C25 H25A 109.5 .
C20 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
C20 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C22 C26 H26A 109.5 .
C22 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C22 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C24 C27 H27A 109.5 .
C24 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C24 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
C29 C28 C33 116.8(4) .
C29 C28 Si2 125.0(3) .
C33 C28 Si2 118.2(3) .
C30 C29 C28 119.3(4) .
C30 C29 C34 116.7(4) .
C28 C29 C34 123.9(4) .
C31 C30 C29 123.2(5) .
C31 C30 H30 118.4 .
C29 C30 H30 118.4 .
C30 C31 C32 117.4(4) .
C30 C31 C35 121.6(5) .
C32 C31 C35 121.0(5) .
C31 C32 C33 121.8(5) .
C31 C32 H32 119.1 .
C33 C32 H32 119.1 .
C32 C33 C28 121.4(4) .
C32 C33 C36 116.6(4) .
C28 C33 C36 122.1(3) .
C29 C34 H34A 109.5 .
C29 C34 H34B 109.5 .
H34A C34 H34B 109.5 .
C29 C34 H34C 109.5 .
H34A C34 H34C 109.5 .
H34B C34 H34C 109.5 .
C31 C35 H35A 109.5 .
C31 C35 H35B 109.5 .
H35A C35 H35B 109.5 .
C31 C35 H35C 109.5 .
H35A C35 H35C 109.5 .
H35B C35 H35C 109.5 .
C33 C36 H36A 109.5 .
C33 C36 H36B 109.5 .
H36A C36 H36B 109.5 .
C33 C36 H36C 109.5 .
H36A C36 H36C 109.5 .
H36B C36 H36C 109.5 .
C42 C37 C38 116.9(4) .
C42 C37 Si2 125.3(3) .
C38 C37 Si2 117.8(3) .
C39 C38 C37 121.4(4) .
C39 C38 C43 116.6(4) .
C37 C38 C43 121.9(4) .
C40 C39 C38 121.3(4) .
C40 C39 H39 119.3 .
C38 C39 H39 119.3 .
C41 C40 C39 117.5(4) .
C41 C40 C44 120.9(5) .
C39 C40 C44 121.6(5) .
C40 C41 C42 122.8(5) .
C40 C41 H41 118.6 .
C42 C41 H41 118.6 .
C41 C42 C37 119.8(4) .
C41 C42 C45 116.4(4) .
C37 C42 C45 123.8(4) .
C38 C43 H43A 109.5 .
C38 C43 H43B 109.5 .
H43A C43 H43B 109.5 .
C38 C43 H43C 109.5 .
H43A C43 H43C 109.5 .
H43B C43 H43C 109.5 .
C40 C44 H44A 109.5 .
C40 C44 H44B 109.5 .
H44A C44 H44B 109.5 .
C40 C44 H44C 109.5 .
H44A C44 H44C 109.5 .
H44B C44 H44C 109.5 .
C42 C45 H45A 109.5 .
C42 C45 H45B 109.5 .
H45A C45 H45B 109.5 .
C42 C45 H45C 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 109.5 .
C47 C46 C51 117.0(3) .
C47 C46 Si2 117.3(3) .
C51 C46 Si2 125.7(3) .
C48 C47 C46 121.0(4) .
C48 C47 C52 116.3(4) .
C46 C47 C52 122.7(3) .
C49 C48 C47 122.1(4) .
C49 C48 H48 118.9 .
C47 C48 H48 118.9 .
C48 C49 C50 117.1(4) .
C48 C49 C53 121.2(5) .
C50 C49 C53 121.6(5) .
C49 C50 C51 123.0(4) .
C49 C50 H50 118.5 .
C51 C50 H50 118.5 .
C50 C51 C46 119.8(4) .
C50 C51 C54 115.7(4) .
C46 C51 C54 124.5(4) .
C47 C52 H52A 109.5 .
C47 C52 H52B 109.5 .
H52A C52 H52B 109.5 .
C47 C52 H52C 109.5 .
H52A C52 H52C 109.5 .
H52B C52 H52C 109.5 .
C49 C53 H53A 109.5 .
C49 C53 H53B 109.5 .
H53A C53 H53B 109.5 .
C49 C53 H53C 109.5 .
H53A C53 H53C 109.5 .
H53B C53 H53C 109.5 .
C51 C54 H54A 109.5 .
C51 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C51 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
C56 C55 C60 116.3(4) .
C56 C55 Si3 118.0(3) .
C60 C55 Si3 125.6(3) .
C57 C56 C55 121.3(4) .
C57 C56 C61 116.5(4) .
C55 C56 C61 122.1(4) .
C58 C57 C56 122.2(4) .
C58 C57 H57 118.9 .
C56 C57 H57 118.9 .
C57 C58 C59 116.9(5) .
C57 C58 C62 121.4(5) .
C59 C58 C62 121.8(5) .
C58 C59 C60 122.7(5) .
C58 C59 H59 118.6 .
C60 C59 H59 118.6 .
C59 C60 C55 120.4(4) .
C59 C60 C63 116.4(4) .
C55 C60 C63 123.0(4) .
C56 C61 H61A 109.5 .
C56 C61 H61B 109.5 .
H61A C61 H61B 109.5 .
C56 C61 H61C 109.5 .
H61A C61 H61C 109.5 .
H61B C61 H61C 109.5 .
C58 C62 H62A 109.5 .
C58 C62 H62B 109.5 .
H62A C62 H62B 109.5 .
C58 C62 H62C 109.5 .
H62A C62 H62C 109.5 .
H62B C62 H62C 109.5 .
C60 C63 H63A 109.5 .
C60 C63 H63B 109.5 .
H63A C63 H63B 109.5 .
C60 C63 H63C 109.5 .
H63A C63 H63C 109.5 .
H63B C63 H63C 109.5 .
C69 C64 C65 116.6(4) .
C69 C64 Si3 118.3(3) .
C65 C64 Si3 125.1(3) .
C66 C65 C64 120.1(5) .
C66 C65 C70 115.9(4) .
C64 C65 C70 124.0(4) .
C67 C66 C65 122.8(4) .
C67 C66 H66 118.6 .
C65 C66 H66 118.6 .
C66 C67 C68 117.9(4) .
C66 C67 C71 122.1(5) .
C68 C67 C71 120.0(6) .
C67 C68 C69 122.1(5) .
C67 C68 H68 119.0 .
C69 C68 H68 119.0 .
C68 C69 C64 120.4(4) .
C68 C69 C72 117.4(4) .
C64 C69 C72 122.2(4) .
C65 C70 H70A 109.5 .
C65 C70 H70B 109.5 .
H70A C70 H70B 109.5 .
C65 C70 H70C 109.5 .
H70A C70 H70C 109.5 .
H70B C70 H70C 109.5 .
C67 C71 H71A 109.5 .
C67 C71 H71B 109.5 .
H71A C71 H71B 109.5 .
C67 C71 H71C 109.5 .
H71A C71 H71C 109.5 .
H71B C71 H71C 109.5 .
C69 C72 H72A 109.5 .
C69 C72 H72B 109.5 .
H72A C72 H72B 109.5 .
C69 C72 H72C 109.5 .
H72A C72 H72C 109.5 .
H72B C72 H72C 109.5 .
C78 C73 C74 115.9(4) .
C78 C73 Si3 125.3(3) .
C74 C73 Si3 118.8(3) .
C75 C74 C73 121.7(4) .
C75 C74 C79 116.3(4) .
C73 C74 C79 121.9(4) .
C74 C75 C76 121.7(5) .
C74 C75 H75 119.2 .
C76 C75 H75 119.2 .
C77 C76 C75 116.2(5) .
C77 C76 C80 122.8(6) .
C75 C76 C80 120.9(6) .
C76 C77 C78 124.0(5) .
C76 C77 H77 118.0 .
C78 C77 H77 118.0 .
C77 C78 C73 120.3(5) .
C77 C78 C81 116.4(5) .
C73 C78 C81 123.2(5) .
C74 C79 H79A 109.5 .
C74 C79 H79B 109.5 .
H79A C79 H79B 109.5 .
C74 C79 H79C 109.5 .
H79A C79 H79C 109.5 .
H79B C79 H79C 109.5 .
C76 C80 H80A 109.5 .
C76 C80 H80B 109.5 .
H80A C80 H80B 109.5 .
C76 C80 H80C 109.5 .
H80A C80 H80C 109.5 .
H80B C80 H80C 109.5 .
C78 C81 H81A 109.5 .
C78 C81 H81B 109.5 .
H81A C81 H81B 109.5 .
C78 C81 H81C 109.5 .
H81A C81 H81C 109.5 .
H81B C81 H81C 109.5 .
C87 C82 C83 116.7(3) .
C87 C82 Si4 116.8(3) .
C83 C82 Si4 126.4(3) .
C84 C83 C82 120.1(4) .
C84 C83 C88 116.6(3) .
C82 C83 C88 123.2(4) .
C83 C84 C85 123.1(4) .
C83 C84 H84 118.4 .
C85 C84 H84 118.4 .
C86 C85 C84 116.7(4) .
C86 C85 C89 120.8(4) .
C84 C85 C89 122.5(4) .
C85 C86 C87 121.9(4) .
C85 C86 H86 119.1 .
C87 C86 H86 119.1 .
C86 C87 C82 121.4(3) .
C86 C87 C90 115.5(4) .
C82 C87 C90 123.1(3) .
C83 C88 H88A 109.5 .
C83 C88 H88B 109.5 .
H88A C88 H88B 109.5 .
C83 C88 H88C 109.5 .
H88A C88 H88C 109.5 .
H88B C88 H88C 109.5 .
C85 C89 H89A 109.5 .
C85 C89 H89B 109.5 .
H89A C89 H89B 109.5 .
C85 C89 H89C 109.5 .
H89A C89 H89C 109.5 .
H89B C89 H89C 109.5 .
C87 C90 H90A 109.5 .
C87 C90 H90B 109.5 .
H90A C90 H90B 109.5 .
C87 C90 H90C 109.5 .
H90A C90 H90C 109.5 .
H90B C90 H90C 109.5 .
C96 C91 C92 116.4(4) .
C96 C91 Si4 125.1(3) .
C92 C91 Si4 118.5(3) .
C93 C92 C91 120.7(4) .
C93 C92 C97 117.8(4) .
C91 C92 C97 121.4(4) .
C94 C93 C92 122.1(4) .
C94 C93 H93 119.0 .
C92 C93 H93 119.0 .
C95 C94 C93 117.2(4) .
C95 C94 C98 121.7(5) .
C93 C94 C98 121.1(5) .
C94 C95 C96 123.1(4) .
C94 C95 H95 118.5 .
C96 C95 H95 118.5 .
C95 C96 C91 120.0(4) .
C95 C96 C99 116.8(4) .
C91 C96 C99 123.1(4) .
C92 C97 H97A 109.5 .
C92 C97 H97B 109.5 .
H97A C97 H97B 109.5 .
C92 C97 H97C 109.5 .
H97A C97 H97C 109.5 .
H97B C97 H97C 109.5 .
C94 C98 H98A 109.5 .
C94 C98 H98B 109.5 .
H98A C98 H98B 109.5 .
C94 C98 H98C 109.5 .
H98A C98 H98C 109.5 .
H98B C98 H98C 109.5 .
C96 C99 H99A 109.5 .
C96 C99 H99B 109.5 .
H99A C99 H99B 109.5 .
C96 C99 H99C 109.5 .
H99A C99 H99C 109.5 .
H99B C99 H99C 109.5 .
C105 C100 C101 116.8(4) .
C105 C100 Si4 125.0(3) .
C101 C100 Si4 118.1(3) .
C102 C101 C100 120.9(4) .
C102 C101 C106 117.1(4) .
C100 C101 C106 122.0(4) .
C103 C102 C101 121.6(4) .
C103 C102 H102 119.2 .
C101 C102 H102 119.2 .
C104 C103 C102 117.4(4) .
C104 C103 C107 121.8(5) .
C102 C103 C107 120.8(5) .
C103 C104 C105 123.5(5) .
C103 C104 H104 118.2 .
C105 C104 H104 118.2 .
C104 C105 C100 119.7(4) .
C104 C105 C108 116.6(4) .
C100 C105 C108 123.6(4) .
C101 C106 H10A 109.5 .
C101 C106 H10B 109.5 .
H10A C106 H10B 109.5 .
C101 C106 H10C 109.5 .
H10A C106 H10C 109.5 .
H10B C106 H10C 109.5 .
C103 C107 H10D 109.5 .
C103 C107 H10E 109.5 .
H10D C107 H10E 109.5 .
C103 C107 H10F 109.5 .
H10D C107 H10F 109.5 .
H10E C107 H10F 109.5 .
C105 C108 H10G 109.5 .
C105 C108 H10H 109.5 .
H10G C108 H10H 109.5 .
C105 C108 H10I 109.5 .
H10G C108 H10I 109.5 .
H10H C108 H10I 109.5 .
C110 C109 H10J 109.5 .
C110 C109 H10K 109.5 .
H10J C109 H10K 109.5 .
C110 C109 H10L 109.5 .
H10J C109 H10L 109.5 .
H10K C109 H10L 109.5 .
C111 C110 C109 121.2(13) .
C111 C110 H11A 107.0 .
C109 C110 H11A 107.0 .
C111 C110 H11B 107.0 .
C109 C110 H11B 107.0 .
H11A C110 H11B 106.8 .
C110 C111 C112 122.6(12) .
C110 C111 H11C 106.7 .
C112 C111 H11C 106.7 .
C110 C111 H11D 106.7 .
C112 C111 H11D 106.7 .
H11C C111 H11D 106.6 .
C113 C112 C111 109.3(11) .
C113 C112 H11E 109.8 .
C111 C112 H11E 109.8 .
C113 C112 H11F 109.8 .
C111 C112 H11F 109.8 .
H11E C112 H11F 108.3 .
C114 C113 C112 105.3(12) .
C114 C113 H11G 110.7 .
C112 C113 H11G 110.7 .
C114 C113 H11H 110.7 .
C112 C113 H11H 110.7 .
H11G C113 H11H 108.8 .
C113 C114 H11I 109.5 .
C113 C114 H11J 109.5 .
H11I C114 H11J 109.5 .
C113 C114 H11K 109.5 .
H11I C114 H11K 109.5 .
H11J C114 H11K 109.5 .
C116 C115 H11L 109.5 .
C116 C115 H11M 109.5 .
H11L C115 H11M 109.5 .
C116 C115 H11N 109.5 .
H11L C115 H11N 109.5 .
H11M C115 H11N 109.5 .
C115 C116 C117 121.3(17) .
C115 C116 H11O 107.0 .
C117 C116 H11O 107.0 .
C115 C116 H11P 107.0 .
C117 C116 H11P 107.0 .
H11O C116 H11P 106.7 .
C116 C117 C118 107.2(11) .
C116 C117 H11Q 110.3 .
C118 C117 H11Q 110.3 .
C116 C117 H11R 110.3 .
C118 C117 H11R 110.3 .
H11Q C117 H11R 108.5 .
C119 C118 C117 110.8(14) .
C119 C118 H11S 109.5 .
C117 C118 H11S 109.5 .
C119 C118 H11T 109.5 .
C117 C118 H11T 109.5 .
H11S C118 H11T 108.1 .
C118 C119 C120 105.8(14) .
C118 C119 H11U 110.6 .
C120 C119 H11U 110.6 .
C118 C119 H11V 110.6 .
C120 C119 H11V 110.6 .
H11U C119 H11V 108.7 .
C119 C120 H12A 109.5 .
C119 C120 H12B 109.5 .
H12A C120 H12B 109.5 .
C119 C120 H12C 109.5 .
H12A C120 H12C 109.5 .
H12B C120 H12C 109.5 .
C122 C121 H12D 109.5 .
C122 C121 H12E 109.5 .
H12D C121 H12E 109.5 .
C122 C121 H12F 109.5 .
H12D C121 H12F 109.5 .
H12E C121 H12F 109.5 .
C123 C122 C121 105.0(13) .
C123 C122 H12G 110.7 .
C121 C122 H12G 110.7 .
C123 C122 H12H 110.7 .
C121 C122 H12H 110.7 .
H12G C122 H12H 108.8 .
C122 C123 C124 115.0(14) .
C122 C123 H12I 108.5 .
C124 C123 H12I 108.5 .
C122 C123 H12J 108.5 .
C124 C123 H12J 108.5 .
H12I C123 H12J 107.5 .
C125 C124 C123 129.1(14) .
C125 C124 H12K 105.0 .
C123 C124 H12K 105.0 .
C125 C124 H12L 105.0 .
C123 C124 H12L 105.0 .
H12K C124 H12L 105.9 .
C124 C125 C126 121.9(13) .
C124 C125 H12M 106.9 .
C126 C125 H12M 106.9 .
C124 C125 H12N 106.9 .
C126 C125 H12N 106.9 .
H12M C125 H12N 106.7 .
C125 C126 H12O 109.5 .
C125 C126 H12P 109.5 .
H12O C126 H12P 109.5 .
C125 C126 H12Q 109.5 .
H12O C126 H12Q 109.5 .
H12P C126 H12Q 109.5 .
Si1 O1 U1 178.89(17) .
Si2 O2 U1 179.31(16) .
Si3 O3 U1 176.79(17) .
Si4 O4 U1 177.04(15) .
O1 Si1 C1 107.29(16) .
O1 Si1 C10 106.26(15) .
C1 Si1 C10 113.58(18) .
O1 Si1 C19 107.66(15) .
C1 Si1 C19 109.48(18) .
C10 Si1 C19 112.25(18) .
O2 Si2 C37 107.53(15) .
O2 Si2 C46 107.30(15) .
C37 Si2 C46 109.91(17) .
O2 Si2 C28 107.90(15) .
C37 Si2 C28 111.37(18) .
C46 Si2 C28 112.60(16) .
O3 Si3 C73 106.96(16) .
O3 Si3 C64 107.94(16) .
C73 Si3 C64 110.83(18) .
O3 Si3 C55 106.37(15) .
C73 Si3 C55 112.63(19) .
C64 Si3 C55 111.77(18) .
O4 Si4 C91 107.67(16) .
O4 Si4 C82 105.93(16) .
C91 Si4 C82 109.48(17) .
O4 Si4 C100 107.77(15) .
C91 Si4 C100 112.07(18) .
C82 Si4 C100 113.56(16) .
O4 U1 O3 110.65(10) .
O4 U1 O1 107.16(10) .
O3 U1 O1 107.21(9) .
O4 U1 O2 108.86(9) .
O3 U1 O2 110.29(10) .
O1 U1 O2 112.64(10) .
C128 C127 C132 120.0 .
C128 C127 C133 118.1(9) .
C132 C127 C133 121.7(9) .
C133 C128 C127 124.3(10) 2_676
C133 C128 C129 115.6(10) 2_676
C127 C128 C129 120.0 .
C130 C129 C128 120.0 .
C130 C129 H129 120.0 .
C128 C129 H129 120.0 .
C131 C130 C129 120.0 .
C131 C130 H130 120.0 .
C129 C130 H130 120.0 .
C130 C131 C132 120.0 .
C130 C131 H131 120.0 .
C132 C131 H131 120.0 .
C131 C132 C127 120.0 .
C131 C132 H132 120.0 .
C127 C132 H132 120.0 .
C128 C133 C127 117.5(11) 2_676
C128 C133 H133 121.2 2_676
C127 C133 H133 121.2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.416(6) .
C1 C2 1.421(5) .
C1 Si1 1.910(4) .
C2 C3 1.392(6) .
C2 C7 1.518(7) .
C3 C4 1.385(7) .
C3 H3 0.9500 .
C4 C5 1.374(6) .
C4 C8 1.523(7) .
C5 C6 1.400(6) .
C5 H5 0.9500 .
C6 C9 1.507(5) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C15 1.413(6) .
C10 C11 1.432(6) .
C10 Si1 1.912(4) .
C11 C12 1.384(6) .
C11 C16 1.501(6) .
C12 C13 1.388(7) .
C12 H12 0.9500 .
C13 C14 1.377(7) .
C13 C17 1.510(7) .
C14 C15 1.405(7) .
C14 H14 0.9500 .
C15 C18 1.519(6) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C20 1.420(5) .
C19 C24 1.421(6) .
C19 Si1 1.913(4) .
C20 C21 1.397(6) .
C20 C25 1.501(6) .
C21 C22 1.376(6) .
C21 H21 0.9500 .
C22 C23 1.382(7) .
C22 C26 1.521(6) .
C23 C24 1.395(6) .
C23 H23 0.9500 .
C24 C27 1.509(6) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.419(6) .
C28 C33 1.420(6) .
C28 Si2 1.914(4) .
C29 C30 1.405(6) .
C29 C34 1.516(7) .
C30 C31 1.376(7) .
C30 H30 0.9500 .
C31 C32 1.385(7) .
C31 C35 1.537(7) .
C32 C33 1.385(6) .
C32 H32 0.9500 .
C33 C36 1.503(6) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 C42 1.413(6) .
C37 C38 1.416(5) .
C37 Si2 1.907(4) .
C38 C39 1.388(6) .
C38 C43 1.510(6) .
C39 C40 1.387(7) .
C39 H39 0.9500 .
C40 C41 1.382(7) .
C40 C44 1.518(7) .
C41 C42 1.395(6) .
C41 H41 0.9500 .
C42 C45 1.515(6) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 C47 1.416(5) .
C46 C51 1.419(5) .
C46 Si2 1.911(4) .
C47 C48 1.395(6) .
C47 C52 1.502(6) .
C48 C49 1.382(7) .
C48 H48 0.9500 .
C49 C50 1.387(7) .
C49 C53 1.516(6) .
C50 C51 1.399(6) .
C50 H50 0.9500 .
C51 C54 1.504(6) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 C56 1.411(5) .
C55 C60 1.419(6) .
C55 Si3 1.918(4) .
C56 C57 1.399(6) .
C56 C61 1.508(6) .
C57 C58 1.380(7) .
C57 H57 0.9500 .
C58 C59 1.388(7) .
C58 C62 1.512(7) .
C59 C60 1.398(7) .
C59 H59 0.9500 .
C60 C63 1.516(6) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 C69 1.414(6) .
C64 C65 1.420(6) .
C64 Si3 1.912(4) .
C65 C66 1.394(7) .
C65 C70 1.512(7) .
C66 C67 1.359(8) .
C66 H66 0.9500 .
C67 C68 1.375(7) .
C67 C71 1.524(7) .
C68 C69 1.397(6) .
C68 H68 0.9500 .
C69 C72 1.496(6) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 C78 1.417(6) .
C73 C74 1.419(6) .
C73 Si3 1.891(5) .
C74 C75 1.382(7) .
C74 C79 1.516(6) .
C75 C76 1.399(7) .
C75 H75 0.9500 .
C76 C77 1.375(8) .
C76 C80 1.511(8) .
C77 C78 1.377(7) .
C77 H77 0.9500 .
C78 C81 1.529(7) .
C79 H79A 0.9800 .
C79 H79B 0.9800 .
C79 H79C 0.9800 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C82 C87 1.411(5) .
C82 C83 1.420(5) .
C82 Si4 1.911(4) .
C83 C84 1.391(6) .
C83 C88 1.507(6) .
C84 C85 1.392(6) .
C84 H84 0.9500 .
C85 C86 1.392(6) .
C85 C89 1.510(6) .
C86 C87 1.394(6) .
C86 H86 0.9500 .
C87 C90 1.517(5) .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C89 H89A 0.9800 .
C89 H89B 0.9800 .
C89 H89C 0.9800 .
C90 H90A 0.9800 .
C90 H90B 0.9800 .
C90 H90C 0.9800 .
C91 C96 1.411(6) .
C91 C92 1.420(5) .
C91 Si4 1.907(4) .
C92 C93 1.395(6) .
C92 C97 1.521(6) .
C93 C94 1.377(7) .
C93 H93 0.9500 .
C94 C95 1.371(7) .
C94 C98 1.519(7) .
C95 C96 1.397(6) .
C95 H95 0.9500 .
C96 C99 1.528(6) .
C97 H97A 0.9800 .
C97 H97B 0.9800 .
C97 H97C 0.9800 .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 H98C 0.9800 .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
C100 C105 1.413(6) .
C100 C101 1.428(6) .
C100 Si4 1.912(4) .
C101 C102 1.395(6) .
C101 C106 1.498(6) .
C102 C103 1.383(7) .
C102 H102 0.9500 .
C103 C104 1.378(7) .
C103 C107 1.515(7) .
C104 C105 1.390(7) .
C104 H104 0.9500 .
C105 C108 1.510(7) .
C106 H10A 0.9800 .
C106 H10B 0.9800 .
C106 H10C 0.9800 .
C107 H10D 0.9800 .
C107 H10E 0.9800 .
C107 H10F 0.9800 .
C108 H10G 0.9800 .
C108 H10H 0.9800 .
C108 H10I 0.9800 .
C109 C110 1.556(9) .
C109 H10J 0.9800 .
C109 H10K 0.9800 .
C109 H10L 0.9800 .
C110 C111 1.496(9) .
C110 H11A 0.9900 .
C110 H11B 0.9900 .
C111 C112 1.530(9) .
C111 H11C 0.9900 .
C111 H11D 0.9900 .
C112 C113 1.504(9) .
C112 H11E 0.9900 .
C112 H11F 0.9900 .
C113 C114 1.493(9) .
C113 H11G 0.9900 .
C113 H11H 0.9900 .
C114 H11I 0.9800 .
C114 H11J 0.9800 .
C114 H11K 0.9800 .
C115 C116 1.481(9) .
C115 H11L 0.9800 .
C115 H11M 0.9800 .
C115 H11N 0.9800 .
C116 C117 1.520(9) .
C116 H11O 0.9900 .
C116 H11P 0.9900 .
C117 C118 1.538(9) .
C117 H11Q 0.9900 .
C117 H11R 0.9900 .
C118 C119 1.489(9) .
C118 H11S 0.9900 .
C118 H11T 0.9900 .
C119 C120 1.514(9) .
C119 H11U 0.9900 .
C119 H11V 0.9900 .
C120 H12A 0.9800 .
C120 H12B 0.9800 .
C120 H12C 0.9800 .
C121 C122 1.545(9) .
C121 H12D 0.9800 .
C121 H12E 0.9800 .
C121 H12F 0.9800 .
C122 C123 1.424(9) .
C122 H12G 0.9900 .
C122 H12H 0.9900 .
C123 C124 1.515(9) .
C123 H12I 0.9900 .
C123 H12J 0.9900 .
C124 C125 1.421(9) .
C124 H12K 0.9900 .
C124 H12L 0.9900 .
C125 C126 1.535(9) .
C125 H12M 0.9900 .
C125 H12N 0.9900 .
C126 H12O 0.9800 .
C126 H12P 0.9800 .
C126 H12Q 0.9800 .
O1 Si1 1.657(3) .
O1 U1 2.144(2) .
O2 Si2 1.657(3) .
O2 U1 2.150(2) .
O3 Si3 1.658(3) .
O3 U1 2.140(2) .
O4 Si4 1.668(3) .
O4 U1 2.128(3) .
C127 C128 1.3900 .
C127 C132 1.3900 .
C127 C133 1.472(14) .
C128 C133 1.268(14) 2_676
C128 C129 1.3900 .
C129 C130 1.3900 .
C129 H129 0.9500 .
C130 C131 1.3900 .
C130 H130 0.9500 .
C131 C132 1.3900 .
C131 H131 0.9500 .
C132 H132 0.9500 .
C133 C128 1.27(2) 2_676
C133 H133 0.9500 .
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_4
C6 C1 C2 C3 -2.6(6) . .
Si1 C1 C2 C3 178.5(3) . .
C6 C1 C2 C7 174.1(4) . .
Si1 C1 C2 C7 -4.8(6) . .
C1 C2 C3 C4 0.1(7) . .
C7 C2 C3 C4 -176.8(5) . .
C2 C3 C4 C5 1.6(7) . .
C2 C3 C4 C8 179.9(5) . .
C3 C4 C5 C6 -0.8(7) . .
C8 C4 C5 C6 -179.1(5) . .
C4 C5 C6 C1 -1.7(7) . .
C4 C5 C6 C9 177.3(4) . .
C2 C1 C6 C5 3.4(6) . .
Si1 C1 C6 C5 -177.6(3) . .
C2 C1 C6 C9 -175.5(4) . .
Si1 C1 C6 C9 3.4(5) . .
C15 C10 C11 C12 3.5(6) . .
Si1 C10 C11 C12 -173.5(3) . .
C15 C10 C11 C16 -174.9(4) . .
Si1 C10 C11 C16 8.2(5) . .
C10 C11 C12 C13 0.4(6) . .
C16 C11 C12 C13 178.9(4) . .
C11 C12 C13 C14 -3.2(7) . .
C11 C12 C13 C17 178.6(5) . .
C12 C13 C14 C15 2.0(7) . .
C17 C13 C14 C15 -179.7(5) . .
C13 C14 C15 C10 1.9(7) . .
C13 C14 C15 C18 -175.8(4) . .
C11 C10 C15 C14 -4.6(6) . .
Si1 C10 C15 C14 172.1(3) . .
C11 C10 C15 C18 173.0(4) . .
Si1 C10 C15 C18 -10.4(6) . .
C24 C19 C20 C21 6.1(6) . .
Si1 C19 C20 C21 -170.7(3) . .
C24 C19 C20 C25 -171.1(4) . .
Si1 C19 C20 C25 12.2(5) . .
C19 C20 C21 C22 -1.0(7) . .
C25 C20 C21 C22 176.2(4) . .
C20 C21 C22 C23 -4.3(7) . .
C20 C21 C22 C26 176.3(5) . .
C21 C22 C23 C24 4.6(8) . .
C26 C22 C23 C24 -176.0(5) . .
C22 C23 C24 C19 0.5(7) . .
C22 C23 C24 C27 -175.1(5) . .
C20 C19 C24 C23 -5.8(6) . .
Si1 C19 C24 C23 170.8(4) . .
C20 C19 C24 C27 169.6(4) . .
Si1 C19 C24 C27 -13.9(6) . .
C33 C28 C29 C30 -2.4(6) . .
Si2 C28 C29 C30 178.5(3) . .
C33 C28 C29 C34 174.4(4) . .
Si2 C28 C29 C34 -4.7(6) . .
C28 C29 C30 C31 1.5(7) . .
C34 C29 C30 C31 -175.5(5) . .
C29 C30 C31 C32 -0.6(8) . .
C29 C30 C31 C35 178.8(5) . .
C30 C31 C32 C33 0.6(7) . .
C35 C31 C32 C33 -178.7(5) . .
C31 C32 C33 C28 -1.7(7) . .
C31 C32 C33 C36 177.1(4) . .
C29 C28 C33 C32 2.6(6) . .
Si2 C28 C33 C32 -178.3(3) . .
C29 C28 C33 C36 -176.2(4) . .
Si2 C28 C33 C36 3.0(5) . .
C42 C37 C38 C39 5.4(6) . .
Si2 C37 C38 C39 -175.1(4) . .
C42 C37 C38 C43 -170.3(4) . .
Si2 C37 C38 C43 9.3(5) . .
C37 C38 C39 C40 -0.8(7) . .
C43 C38 C39 C40 175.1(5) . .
C38 C39 C40 C41 -3.3(8) . .
C38 C39 C40 C44 179.1(6) . .
C39 C40 C41 C42 2.7(9) . .
C44 C40 C41 C42 -179.7(6) . .
C40 C41 C42 C37 2.1(8) . .
C40 C41 C42 C45 -175.2(5) . .
C38 C37 C42 C41 -5.9(6) . .
Si2 C37 C42 C41 174.5(4) . .
C38 C37 C42 C45 171.1(4) . .
Si2 C37 C42 C45 -8.4(7) . .
C51 C46 C47 C48 2.0(6) . .
Si2 C46 C47 C48 179.3(3) . .
C51 C46 C47 C52 -175.6(4) . .
Si2 C46 C47 C52 1.7(5) . .
C46 C47 C48 C49 -0.6(7) . .
C52 C47 C48 C49 177.2(4) . .
C47 C48 C49 C50 -0.6(8) . .
C47 C48 C49 C53 -178.4(5) . .
C48 C49 C50 C51 0.4(8) . .
C53 C49 C50 C51 178.1(5) . .
C49 C50 C51 C46 1.0(7) . .
C49 C50 C51 C54 -176.8(5) . .
C47 C46 C51 C50 -2.2(6) . .
Si2 C46 C51 C50 -179.2(3) . .
C47 C46 C51 C54 175.5(4) . .
Si2 C46 C51 C54 -1.6(6) . .
C60 C55 C56 C57 4.1(6) . .
Si3 C55 C56 C57 -173.1(4) . .
C60 C55 C56 C61 -173.0(4) . .
Si3 C55 C56 C61 9.8(6) . .
C55 C56 C57 C58 0.0(8) . .
C61 C56 C57 C58 177.2(5) . .
C56 C57 C58 C59 -3.4(9) . .
C56 C57 C58 C62 177.8(6) . .
C57 C58 C59 C60 2.6(10) . .
C62 C58 C59 C60 -178.5(6) . .
C58 C59 C60 C55 1.5(9) . .
C58 C59 C60 C63 -174.4(6) . .
C56 C55 C60 C59 -4.8(7) . .
Si3 C55 C60 C59 172.2(4) . .
C56 C55 C60 C63 170.9(5) . .
Si3 C55 C60 C63 -12.2(7) . .
C69 C64 C65 C66 -3.2(6) . .
Si3 C64 C65 C66 176.4(4) . .
C69 C64 C65 C70 174.0(5) . .
Si3 C64 C65 C70 -6.4(7) . .
C64 C65 C66 C67 0.4(8) . .
C70 C65 C66 C67 -177.0(5) . .
C65 C66 C67 C68 2.3(8) . .
C65 C66 C67 C71 -179.9(5) . .
C66 C67 C68 C69 -2.2(7) . .
C71 C67 C68 C69 180.0(5) . .
C67 C68 C69 C64 -0.7(7) . .
C67 C68 C69 C72 177.6(4) . .
C65 C64 C69 C68 3.3(6) . .
Si3 C64 C69 C68 -176.3(3) . .
C65 C64 C69 C72 -174.9(4) . .
Si3 C64 C69 C72 5.4(5) . .
C78 C73 C74 C75 3.8(6) . .
Si3 C73 C74 C75 -175.8(3) . .
C78 C73 C74 C79 -173.8(4) . .
Si3 C73 C74 C79 6.7(5) . .
C73 C74 C75 C76 0.1(7) . .
C79 C74 C75 C76 177.7(4) . .
C74 C75 C76 C77 -3.0(7) . .
C74 C75 C76 C80 178.4(5) . .
C75 C76 C77 C78 2.0(8) . .
C80 C76 C77 C78 -179.4(6) . .
C76 C77 C78 C73 1.9(8) . .
C76 C77 C78 C81 -175.2(5) . .
C74 C73 C78 C77 -4.7(6) . .
Si3 C73 C78 C77 174.9(4) . .
C74 C73 C78 C81 172.2(4) . .
Si3 C73 C78 C81 -8.2(7) . .
C87 C82 C83 C84 -4.1(6) . .
Si4 C82 C83 C84 177.8(3) . .
C87 C82 C83 C88 173.7(4) . .
Si4 C82 C83 C88 -4.4(6) . .
C82 C83 C84 C85 1.7(7) . .
C88 C83 C84 C85 -176.3(4) . .
C83 C84 C85 C86 1.5(7) . .
C83 C84 C85 C89 -179.6(5) . .
C84 C85 C86 C87 -2.2(7) . .
C89 C85 C86 C87 178.9(4) . .
C85 C86 C87 C82 -0.3(7) . .
C85 C86 C87 C90 178.5(4) . .
C83 C82 C87 C86 3.5(6) . .
Si4 C82 C87 C86 -178.2(3) . .
C83 C82 C87 C90 -175.3(4) . .
Si4 C82 C87 C90 3.0(5) . .
C96 C91 C92 C93 6.6(6) . .
Si4 C91 C92 C93 -170.8(3) . .
C96 C91 C92 C97 -170.3(4) . .
Si4 C91 C92 C97 12.4(5) . .
C91 C92 C93 C94 -0.9(7) . .
C97 C92 C93 C94 176.0(4) . .
C92 C93 C94 C95 -4.3(7) . .
C92 C93 C94 C98 177.4(5) . .
C93 C94 C95 C96 3.7(8) . .
C98 C94 C95 C96 -178.0(5) . .
C94 C95 C96 C91 2.1(8) . .
C94 C95 C96 C99 -175.2(5) . .
C92 C91 C96 C95 -7.1(6) . .
Si4 C91 C96 C95 170.0(4) . .
C92 C91 C96 C99 170.0(4) . .
Si4 C91 C96 C99 -12.8(7) . .
C105 C100 C101 C102 2.5(5) . .
Si4 C100 C101 C102 -178.3(3) . .
C105 C100 C101 C106 -174.9(4) . .
Si4 C100 C101 C106 4.2(5) . .
C100 C101 C102 C103 -1.4(6) . .
C106 C101 C102 C103 176.1(4) . .
C101 C102 C103 C104 -0.3(7) . .
C101 C102 C103 C107 -179.3(5) . .
C102 C103 C104 C105 0.9(8) . .
C107 C103 C104 C105 179.8(5) . .
C103 C104 C105 C100 0.3(8) . .
C103 C104 C105 C108 -178.0(5) . .
C101 C100 C105 C104 -2.0(6) . .
Si4 C100 C105 C104 178.9(4) . .
C101 C100 C105 C108 176.2(4) . .
Si4 C100 C105 C108 -2.9(6) . .
C109 C110 C111 C112 -171.2(12) . .
C110 C111 C112 C113 -177.9(10) . .
C111 C112 C113 C114 165.3(11) . .
C115 C116 C117 C118 -170.1(19) . .
C116 C117 C118 C119 -172.6(15) . .
C117 C118 C119 C120 -169.5(15) . .
C121 C122 C123 C124 -168.2(13) . .
C122 C123 C124 C125 -83(3) . .
C123 C124 C125 C126 -163.2(15) . .
U1 O1 Si1 C1 -79(8) . .
U1 O1 Si1 C10 160(8) . .
U1 O1 Si1 C19 39(8) . .
C6 C1 Si1 O1 48.8(3) . .
C2 C1 Si1 O1 -132.3(3) . .
C6 C1 Si1 C10 165.9(3) . .
C2 C1 Si1 C10 -15.2(4) . .
C6 C1 Si1 C19 -67.8(3) . .
C2 C1 Si1 C19 111.1(4) . .
C15 C10 Si1 O1 -126.6(3) . .
C11 C10 Si1 O1 50.0(3) . .
C15 C10 Si1 C1 115.7(3) . .
C11 C10 Si1 C1 -67.7(3) . .
C15 C10 Si1 C19 -9.2(4) . .
C11 C10 Si1 C19 167.4(3) . .
C20 C19 Si1 O1 41.4(4) . .
C24 C19 Si1 O1 -135.1(3) . .
C20 C19 Si1 C1 157.7(3) . .
C24 C19 Si1 C1 -18.8(4) . .
C20 C19 Si1 C10 -75.2(3) . .
C24 C19 Si1 C10 108.3(4) . .
U1 O2 Si2 C37 -131(12) . .
U1 O2 Si2 C46 111(12) . .
U1 O2 Si2 C28 -10(13) . .
C42 C37 Si2 O2 -135.9(4) . .
C38 C37 Si2 O2 44.6(3) . .
C42 C37 Si2 C46 -19.4(4) . .
C38 C37 Si2 C46 161.0(3) . .
C42 C37 Si2 C28 106.1(4) . .
C38 C37 Si2 C28 -73.5(3) . .
C47 C46 Si2 O2 51.7(3) . .
C51 C46 Si2 O2 -131.3(3) . .
C47 C46 Si2 C37 -64.9(3) . .
C51 C46 Si2 C37 112.1(4) . .
C47 C46 Si2 C28 170.3(3) . .
C51 C46 Si2 C28 -12.7(4) . .
C29 C28 Si2 O2 -132.3(3) . .
C33 C28 Si2 O2 48.6(3) . .
C29 C28 Si2 C37 -14.5(4) . .
C33 C28 Si2 C37 166.4(3) . .
C29 C28 Si2 C46 109.5(3) . .
C33 C28 Si2 C46 -69.6(3) . .
U1 O3 Si3 C73 51(3) . .
U1 O3 Si3 C64 170(3) . .
U1 O3 Si3 C55 -70(3) . .
C78 C73 Si3 O3 -131.6(4) . .
C74 C73 Si3 O3 47.9(3) . .
C78 C73 Si3 C64 111.0(4) . .
C74 C73 Si3 C64 -69.5(3) . .
C78 C73 Si3 C55 -15.1(4) . .
C74 C73 Si3 C55 164.4(3) . .
C69 C64 Si3 O3 46.5(4) . .
C65 C64 Si3 O3 -133.1(4) . .
C69 C64 Si3 C73 163.4(3) . .
C65 C64 Si3 C73 -16.3(4) . .
C69 C64 Si3 C55 -70.1(4) . .
C65 C64 Si3 C55 110.3(4) . .
C56 C55 Si3 O3 47.2(4) . .
C60 C55 Si3 O3 -129.7(4) . .
C56 C55 Si3 C73 -69.6(4) . .
C60 C55 Si3 C73 113.4(4) . .
C56 C55 Si3 C64 164.8(3) . .
C60 C55 Si3 C64 -12.1(5) . .
U1 O4 Si4 C91 128(3) . .
U1 O4 Si4 C82 11(3) . .
U1 O4 Si4 C100 -111(3) . .
C96 C91 Si4 O4 -135.0(4) . .
C92 C91 Si4 O4 42.1(4) . .
C96 C91 Si4 C82 -20.3(4) . .
C92 C91 Si4 C82 156.8(3) . .
C96 C91 Si4 C100 106.7(4) . .
C92 C91 Si4 C100 -76.2(3) . .
C87 C82 Si4 O4 51.2(3) . .
C83 C82 Si4 O4 -130.7(4) . .
C87 C82 Si4 C91 -64.6(3) . .
C83 C82 Si4 C91 113.5(4) . .
C87 C82 Si4 C100 169.3(3) . .
C83 C82 Si4 C100 -12.6(4) . .
C105 C100 Si4 O4 -134.4(3) . .
C101 C100 Si4 O4 46.5(3) . .
C105 C100 Si4 C91 -16.1(4) . .
C101 C100 Si4 C91 164.8(3) . .
C105 C100 Si4 C82 108.6(4) . .
C101 C100 Si4 C82 -70.5(3) . .
Si4 O4 U1 O3 -81(3) . .
Si4 O4 U1 O1 162(3) . .
Si4 O4 U1 O2 40(3) . .
Si3 O3 U1 O4 119(3) . .
Si3 O3 U1 O1 -125(3) . .
Si3 O3 U1 O2 -2(3) . .
Si1 O1 U1 O4 -112(8) . .
Si1 O1 U1 O3 129(8) . .
Si1 O1 U1 O2 8(8) . .
Si2 O2 U1 O4 -63(13) . .
Si2 O2 U1 O3 59(13) . .
Si2 O2 U1 O1 178(100) . .
C132 C127 C128 C133 -175.6(9) . 2_676
C133 C127 C128 C133 -0.1(12) . 2_676
C132 C127 C128 C129 0.0 . .
C133 C127 C128 C129 175.5(7) . .
C133 C128 C129 C130 176.0(8) 2_676 .
C127 C128 C129 C130 0.0 . .
C128 C129 C130 C131 0.0 . .
C129 C130 C131 C132 0.0 . .
C130 C131 C132 C127 0.0 . .
C128 C127 C132 C131 0.0 . .
C133 C127 C132 C131 -175.3(7) . .
C128 C127 C133 C128 0.1(11) . 2_676
C132 C127 C133 C128 175.5(12) . 2_676
