#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/62/1516267.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_1516267
loop_
_publ_author_name
'Pedrick, E. A.'
'Wu, G.'
'Kaltsoyannis, N.'
'Hayton, T. W.'
_publ_section_title
;
 Reductive silylation of a uranyl dibenzoylmethanate complex: an example
 of controlled uranyl oxo ligand cleavage
;
_journal_issue                   8
_journal_name_full               'Chemical Science'
_journal_page_first              3204
_journal_paper_doi               10.1039/c4sc00996g
_journal_volume                  5
_journal_year                    2014
_chemical_formula_sum            'C68 H52 B F15 O7 Si U'
_chemical_formula_weight         1543.03
_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                100.0090(10)
_cell_angle_beta                 103.5920(10)
_cell_angle_gamma                90.5930(10)
_cell_formula_units_Z            2
_cell_length_a                   12.8552(3)
_cell_length_b                   15.7463(3)
_cell_length_c                   16.5535(3)
_cell_measurement_temperature    100(2)
_cell_volume                     3202.79(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0174
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31034
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    2.650
_exptl_absorpt_correction_T_max  0.7775
_exptl_absorpt_correction_T_min  0.4171
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1524
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.493
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     829
_refine_ls_number_reflns         15762
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+0.5680P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0783
_reflns_number_gt                14311
_reflns_number_total             15762
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4sc00996g2.cif
_cod_data_source_block           complex_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 1516266--1516269.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1516267
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
F3 F 0.5486(2) 1.24187(14) 0.81940(16) 0.0560(7) Uani 1 1 d .
U1 U 0.841790(7) 0.807845(6) 0.651192(6) 0.01225(4) Uani 1 1 d .
O1 O 0.71488(15) 0.86050(13) 0.68038(12) 0.0157(4) Uani 1 1 d .
O2 O 0.97067(16) 0.75456(14) 0.61804(13) 0.0206(4) Uani 1 1 d .
O5 O 0.79936(16) 0.68563(12) 0.69303(12) 0.0171(4) Uani 1 1 d .
O3 O 0.74181(16) 0.71329(13) 0.53667(12) 0.0178(4) Uani 1 1 d .
O7 O 0.93902(16) 0.93956(13) 0.69053(12) 0.0182(4) Uani 1 1 d .
O6 O 0.93388(16) 0.82274(13) 0.78685(12) 0.0175(4) Uani 1 1 d .
O4 O 0.80855(16) 0.87848(13) 0.52915(12) 0.0202(4) Uani 1 1 d .
Si1 Si 1.08353(7) 0.70053(7) 0.63517(7) 0.0308(2) Uani 1 1 d .
F10 F 0.55986(14) 0.69506(11) 0.63277(11) 0.0222(4) Uani 1 1 d .
F15 F 0.77158(13) 0.92339(11) 0.85706(11) 0.0226(4) Uani 1 1 d .
F6 F 0.47028(16) 0.97446(11) 0.57968(12) 0.0304(4) Uani 1 1 d .
C47 C 0.5178(2) 0.83893(18) 0.61848(17) 0.0156(5) Uani 1 1 d .
C52 C 0.5006(2) 0.74985(19) 0.58887(19) 0.0180(6) Uani 1 1 d .
C4 C 1.0200(2) 0.84905(18) 0.93047(17) 0.0160(5) Uani 1 1 d .
C1 C 0.9938(2) 0.87697(18) 0.84710(17) 0.0152(5) Uani 1 1 d .
C18 C 0.7641(2) 0.60748(18) 0.66224(18) 0.0180(6) Uani 1 1 d .
C16 C 0.7131(2) 0.63272(18) 0.51651(18) 0.0166(5) Uani 1 1 d .
F7 F 0.32292(16) 0.90436(12) 0.44326(12) 0.0330(5) Uani 1 1 d .
F11 F 0.45018(14) 0.74888(13) 0.74207(12) 0.0285(4) Uani 1 1 d .
F14 F 0.79366(16) 0.86481(15) 1.00074(12) 0.0358(5) Uani 1 1 d .
F13 F 0.65262(19) 0.74035(17) 1.01434(14) 0.0463(6) Uani 1 1 d .
C25 C 0.6605(2) 0.60102(19) 0.42589(18) 0.0202(6) Uani 1 1 d .
C15 C 0.9681(3) 1.1154(2) 0.69198(19) 0.0224(6) Uani 1 1 d .
H15 H 0.9021 1.0883 0.6582 0.027 Uiso 1 1 calc R
C10 C 1.0349(2) 1.07165(18) 0.74903(17) 0.0177(6) Uani 1 1 d .
C17 C 0.7269(2) 0.57732(18) 0.57535(18) 0.0193(6) Uani 1 1 d .
H17 H 0.7104 0.5172 0.5556 0.023 Uiso 1 1 calc R
C3 C 0.9996(2) 0.98394(18) 0.75692(18) 0.0170(5) Uani 1 1 d .
C9 C 1.0770(2) 0.9020(2) 1.00458(18) 0.0205(6) Uani 1 1 d .
H9 H 1.1022 0.9584 1.0029 0.025 Uiso 1 1 calc R
C2 C 1.0300(2) 0.95603(18) 0.83468(18) 0.0176(5) Uani 1 1 d .
H2 H 1.0772 0.9926 0.8807 0.021 Uiso 1 1 calc R
F9 F 0.41278(17) 0.62723(12) 0.49288(13) 0.0331(5) Uani 1 1 d .
F8 F 0.28947(16) 0.73044(13) 0.39837(12) 0.0328(4) Uani 1 1 d .
C48 C 0.4571(2) 0.88767(19) 0.56450(18) 0.0195(6) Uani 1 1 d .
C51 C 0.4258(2) 0.71337(19) 0.5165(2) 0.0216(6) Uani 1 1 d .
C49 C 0.3807(2) 0.8530(2) 0.49149(19) 0.0217(6) Uani 1 1 d .
C50 C 0.3644(2) 0.7648(2) 0.46803(19) 0.0221(6) Uani 1 1 d .
F1 F 0.75880(15) 1.03353(12) 0.70981(13) 0.0285(4) Uani 1 1 d .
F5 F 0.43291(15) 0.95022(14) 0.76553(14) 0.0353(5) Uani 1 1 d .
F12 F 0.48343(18) 0.68225(15) 0.88158(15) 0.0418(5) Uani 1 1 d .
C53 C 0.6141(2) 0.83519(19) 0.78888(18) 0.0174(5) Uani 1 1 d .
C54 C 0.6981(2) 0.8618(2) 0.85919(18) 0.0198(6) Uani 1 1 d .
C58 C 0.5414(2) 0.7761(2) 0.80194(19) 0.0223(6) Uani 1 1 d .
C11 C 1.1328(2) 1.11194(19) 0.79657(18) 0.0207(6) Uani 1 1 d .
H11 H 1.1791 1.0830 0.8354 0.025 Uiso 1 1 calc R
C12 C 1.1627(3) 1.1935(2) 0.7874(2) 0.0253(7) Uani 1 1 d .
H12 H 1.2300 1.2199 0.8193 0.030 Uiso 1 1 calc R
C13 C 1.0951(3) 1.2373(2) 0.7320(2) 0.0273(7) Uani 1 1 d .
H13 H 1.1156 1.2938 0.7267 0.033 Uiso 1 1 calc R
C8 C 1.0969(3) 0.8728(2) 1.08034(19) 0.0243(6) Uani 1 1 d .
H8 H 1.1362 0.9091 1.1305 0.029 Uiso 1 1 calc R
B1 B 0.6105(2) 0.8784(2) 0.7044(2) 0.0157(6) Uani 1 1 d .
C41 C 0.5978(2) 0.98227(19) 0.73535(17) 0.0182(6) Uani 1 1 d .
C46 C 0.5092(2) 1.0099(2) 0.7653(2) 0.0262(7) Uani 1 1 d .
C57 C 0.5550(3) 0.7423(2) 0.8748(2) 0.0293(7) Uani 1 1 d .
C5 C 0.9837(3) 0.7665(2) 0.9346(2) 0.0250(6) Uani 1 1 d .
H5 H 0.9452 0.7296 0.8845 0.030 Uiso 1 1 calc R
C7 C 1.0598(3) 0.7906(2) 1.0838(2) 0.0292(7) Uani 1 1 d .
H7 H 1.0734 0.7709 1.1362 0.035 Uiso 1 1 calc R
C6 C 1.0031(3) 0.7376(2) 1.0107(2) 0.0306(7) Uani 1 1 d .
H6 H 0.9775 0.6815 1.0128 0.037 Uiso 1 1 calc R
F2 F 0.7265(2) 1.19697(13) 0.76177(16) 0.0454(6) Uani 1 1 d .
F4 F 0.40209(19) 1.11589(16) 0.82003(16) 0.0521(7) Uani 1 1 d .
C19 C 0.7589(3) 0.5526(2) 0.72537(19) 0.0267(7) Uani 1 1 d .
C26 C 0.6816(3) 0.6466(2) 0.3661(2) 0.0256(7) Uani 1 1 d .
H26 H 0.7290 0.6965 0.3837 0.031 Uiso 1 1 calc R
C42 C 0.6689(2) 1.0494(2) 0.73609(19) 0.0229(6) Uani 1 1 d .
C30 C 0.5898(3) 0.5285(2) 0.3990(2) 0.0282(7) Uani 1 1 d .
H30 H 0.5745 0.4970 0.4392 0.034 Uiso 1 1 calc R
C24 C 0.7553(3) 0.5930(2) 0.8065(2) 0.0295(7) Uani 1 1 d .
H24 H 0.7579 0.6543 0.8201 0.035 Uiso 1 1 calc R
C34 C 0.7029(3) 0.8875(2) 0.4760(2) 0.0259(7) Uani 1 1 d .
H34A H 0.6647 0.9334 0.5043 0.031 Uiso 1 1 calc R
H34B H 0.6589 0.8326 0.4624 0.031 Uiso 1 1 calc R
C31 C 0.8915(3) 0.9124(3) 0.4949(2) 0.0350(8) Uani 1 1 d .
H31A H 0.9287 0.8649 0.4678 0.042 Uiso 1 1 calc R
H31B H 0.9450 0.9503 0.5399 0.042 Uiso 1 1 calc R
C33 C 0.7260(3) 0.9116(3) 0.3968(2) 0.0420(10) Uani 1 1 d .
H33A H 0.7322 0.8595 0.3554 0.050 Uiso 1 1 calc R
H33B H 0.6696 0.9470 0.3699 0.050 Uiso 1 1 calc R
C32 C 0.8320(4) 0.9628(3) 0.4308(3) 0.0461(11) Uani 1 1 d .
H32A H 0.8699 0.9650 0.3855 0.055 Uiso 1 1 calc R
H32B H 0.8221 1.0225 0.4576 0.055 Uiso 1 1 calc R
C39 C 1.0523(3) 0.5987(3) 0.6685(3) 0.0427(10) Uani 1 1 d .
H39A H 1.0307 0.6129 0.7226 0.051 Uiso 1 1 calc R
H39B H 0.9908 0.5672 0.6257 0.051 Uiso 1 1 calc R
C35 C 1.1244(4) 0.6813(3) 0.5337(3) 0.0542(12) Uani 1 1 d .
H35A H 1.1396 0.7377 0.5190 0.065 Uiso 1 1 calc R
H35B H 1.1915 0.6501 0.5410 0.065 Uiso 1 1 calc R
C36 C 1.0398(5) 0.6292(3) 0.4608(3) 0.0687(17) Uani 1 1 d .
H36A H 1.0257 0.5726 0.4742 0.103 Uiso 1 1 calc R
H36B H 1.0660 0.6214 0.4091 0.103 Uiso 1 1 calc R
H36C H 0.9735 0.6602 0.4524 0.103 Uiso 1 1 calc R
C14 C 0.9978(3) 1.1981(2) 0.6845(2) 0.0265(7) Uani 1 1 d .
H14 H 0.9512 1.2279 0.6467 0.032 Uiso 1 1 calc R
C43 C 0.6537(3) 1.1360(2) 0.7635(2) 0.0310(8) Uani 1 1 d .
C27 C 0.6337(3) 0.6195(2) 0.2808(2) 0.0361(8) Uani 1 1 d .
H27 H 0.6488 0.6506 0.2402 0.043 Uiso 1 1 calc R
C29 C 0.5415(3) 0.5021(3) 0.3136(2) 0.0393(9) Uani 1 1 d .
H29 H 0.4929 0.4528 0.2957 0.047 Uiso 1 1 calc R
C44 C 0.5644(3) 1.1585(2) 0.7922(2) 0.0361(9) Uani 1 1 d .
C28 C 0.5640(4) 0.5470(3) 0.2551(2) 0.0437(10) Uani 1 1 d .
H28 H 0.5316 0.5283 0.1967 0.052 Uiso 1 1 calc R
C20 C 0.7551(4) 0.4633(2) 0.7064(2) 0.0548(14) Uani 1 1 d .
H20 H 0.7566 0.4349 0.6512 0.066 Uiso 1 1 calc R
C23 C 0.7480(4) 0.5444(3) 0.8673(2) 0.0505(12) Uani 1 1 d .
H23 H 0.7460 0.5724 0.9225 0.061 Uiso 1 1 calc R
C59 C 0.5174(4) 0.0468(4) 0.0123(3) 0.0717(18) Uani 1 1 d .
H59A H 0.5076 0.0680 0.0698 0.086 Uiso 1 1 calc R
H59B H 0.4695 0.0788 -0.0266 0.086 Uiso 1 1 calc R
C40 C 1.1476(5) 0.5390(4) 0.6797(4) 0.0694(16) Uani 1 1 d .
H40A H 1.1667 0.5217 0.6255 0.104 Uiso 1 1 calc R
H40B H 1.1271 0.4875 0.6993 0.104 Uiso 1 1 calc R
H40C H 1.2092 0.5699 0.7214 0.104 Uiso 1 1 calc R
C22 C 0.7436(6) 0.4566(3) 0.8481(3) 0.082(2) Uani 1 1 d .
H22 H 0.7368 0.4234 0.8896 0.099 Uiso 1 1 calc R
C21 C 0.7489(6) 0.4155(3) 0.7679(3) 0.094(3) Uani 1 1 d .
H21 H 0.7484 0.3543 0.7552 0.113 Uiso 1 1 calc R
C45 C 0.4910(3) 1.0949(2) 0.7931(2) 0.0353(9) Uani 1 1 d .
C37 C 1.1835(3) 0.7724(4) 0.7213(3) 0.0610(14) Uani 1 1 d .
H37A H 1.1545 0.7853 0.7722 0.073 Uiso 1 1 calc R
H37B H 1.2501 0.7416 0.7361 0.073 Uiso 1 1 calc R
C38 C 1.2094(4) 0.8552(4) 0.6962(5) 0.088(2) Uani 1 1 d .
H38A H 1.2494 0.8436 0.6522 0.132 Uiso 1 1 calc R
H38B H 1.2530 0.8942 0.7455 0.132 Uiso 1 1 calc R
H38C H 1.1428 0.8823 0.6744 0.132 Uiso 1 1 calc R
C55 C 0.7128(3) 0.8324(2) 0.93463(19) 0.0273(7) Uani 1 1 d .
C56 C 0.6398(3) 0.7704(2) 0.9415(2) 0.0317(8) Uani 1 1 d .
C60 C 0.6317(4) 0.0684(4) 0.0116(3) 0.0743(18) Uani 1 1 d .
H60A H 0.6426 0.0456 -0.0452 0.089 Uiso 1 1 calc R
H60B H 0.6801 0.0388 0.0525 0.089 Uiso 1 1 calc R
C61 C 0.6624(5) 0.1647(4) 0.0337(4) 0.093(2) Uani 1 1 d .
H61A H 0.6076 0.1958 0.0003 0.140 Uiso 1 1 calc R
H61B H 0.7317 0.1750 0.0210 0.140 Uiso 1 1 calc R
H61C H 0.6679 0.1852 0.0940 0.140 Uiso 1 1 calc R
C15A C 0.0039(7) 0.4267(8) 0.8538(9) 0.150(5) Uiso 0.618(5) 1 d PD
C16A C 0.1055(5) 0.4652(5) 0.8814(5) 0.0636(19) Uiso 0.618(5) 1 d PD
C17A C 0.1997(5) 0.4282(4) 0.9017(6) 0.0326(12) Uiso 0.618(5) 1 d PD
C18A C 0.2930(5) 0.4810(4) 0.9270(5) 0.0484(15) Uiso 0.618(5) 1 d PD
C19A C 0.2854(6) 0.5680(5) 0.9327(7) 0.074(2) Uiso 0.618(5) 1 d PD
C20A C 0.1883(7) 0.6018(5) 0.9156(7) 0.073(3) Uiso 0.618(5) 1 d PD
C21A C 0.0987(6) 0.5527(5) 0.8871(7) 0.084(3) Uiso 0.618(5) 1 d PD
C16B C 0.3478(7) 0.5466(6) 0.9431(7) 0.0636(19) Uiso 0.382(5) 1 d PD
C17B C 0.2687(7) 0.6013(5) 0.9281(6) 0.0326(12) Uiso 0.382(5) 1 d PD
C18B C 0.1634(7) 0.5750(7) 0.9018(9) 0.0484(15) Uiso 0.382(5) 1 d PD
C19B C 0.1399(8) 0.4892(7) 0.8970(11) 0.074(2) Uiso 0.382(5) 1 d PD
C20B C 0.2204(9) 0.4320(7) 0.9063(15) 0.073(3) Uiso 0.382(5) 1 d PD
C21B C 0.3227(9) 0.4614(7) 0.9332(13) 0.084(3) Uiso 0.382(5) 1 d PD
C15B C 0.4088(12) 0.4099(10) 0.9510(15) 0.150(5) Uiso 0.382(5) 1 d PD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
U U -9.6767 9.6646 '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'
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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_
_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
O1 U1 O2 178.43(8) .
O1 U1 O6 93.57(8) .
O2 U1 O6 87.89(8) .
O1 U1 O5 90.12(8) .
O2 U1 O5 90.80(8) .
O6 U1 O5 75.16(7) .
O1 U1 O3 93.18(8) .
O2 U1 O3 85.93(8) .
O6 U1 O3 145.03(7) .
O5 U1 O3 70.55(7) .
O1 U1 O7 91.77(8) .
O2 U1 O7 88.17(8) .
O6 U1 O7 70.72(7) .
O5 U1 O7 145.88(7) .
O3 U1 O7 143.23(7) .
O1 U1 O4 88.34(7) .
O2 U1 O4 90.15(8) .
O6 U1 O4 142.99(7) .
O5 U1 O4 141.84(7) .
O3 U1 O4 71.47(7) .
O7 U1 O4 72.28(7) .
B1 O1 U1 165.80(18) .
Si1 O2 U1 153.52(13) .
C18 O5 U1 140.49(18) .
C16 O3 U1 138.35(18) .
C3 O7 U1 137.99(18) .
C1 O6 U1 142.23(18) .
C31 O4 C34 110.2(2) .
C31 O4 U1 124.85(19) .
C34 O4 U1 124.81(17) .
O2 Si1 C39 107.92(15) .
O2 Si1 C35 105.99(17) .
C39 Si1 C35 112.4(2) .
O2 Si1 C37 106.27(17) .
C39 Si1 C37 111.3(2) .
C35 Si1 C37 112.5(2) .
C48 C47 C52 113.2(3) .
C48 C47 B1 125.1(3) .
C52 C47 B1 121.5(2) .
F10 C52 C51 116.8(3) .
F10 C52 C47 119.2(3) .
C51 C52 C47 123.9(3) .
C9 C4 C5 118.8(3) .
C9 C4 C1 123.1(3) .
C5 C4 C1 118.0(3) .
O6 C1 C2 122.0(2) .
O6 C1 C4 115.0(2) .
C2 C1 C4 123.0(2) .
O5 C18 C17 122.6(3) .
O5 C18 C19 115.2(3) .
C17 C18 C19 122.1(3) .
O3 C16 C17 123.0(3) .
O3 C16 C25 115.8(3) .
C17 C16 C25 121.1(3) .
C26 C25 C30 119.0(3) .
C26 C25 C16 118.6(3) .
C30 C25 C16 122.4(3) .
C14 C15 C10 120.5(3) .
C11 C10 C15 118.8(3) .
C11 C10 C3 122.1(3) .
C15 C10 C3 119.1(3) .
C16 C17 C18 122.2(3) .
O7 C3 C2 124.2(3) .
O7 C3 C10 115.7(2) .
C2 C3 C10 120.1(3) .
C8 C9 C4 120.3(3) .
C1 C2 C3 122.6(3) .
F6 C48 C49 114.8(3) .
F6 C48 C47 121.0(3) .
C49 C48 C47 124.1(3) .
F9 C51 C50 119.4(3) .
F9 C51 C52 120.5(3) .
C50 C51 C52 120.1(3) .
F7 C49 C50 119.6(3) .
F7 C49 C48 120.9(3) .
C50 C49 C48 119.6(3) .
F8 C50 C51 120.9(3) .
F8 C50 C49 120.2(3) .
C51 C50 C49 118.9(3) .
C58 C53 C54 113.2(3) .
C58 C53 B1 129.0(3) .
C54 C53 B1 117.8(3) .
F15 C54 C55 115.3(3) .
F15 C54 C53 119.5(3) .
C55 C54 C53 125.1(3) .
F11 C58 C57 115.6(3) .
F11 C58 C53 120.7(3) .
C57 C58 C53 123.7(3) .
C12 C11 C10 120.4(3) .
C11 C12 C13 120.6(3) .
C14 C13 C12 119.6(3) .
C9 C8 C7 120.4(3) .
O1 B1 C47 104.8(2) .
O1 B1 C41 112.4(2) .
C47 B1 C41 111.2(2) .
O1 B1 C53 106.6(2) .
C47 B1 C53 117.1(2) .
C41 B1 C53 104.8(2) .
C42 C41 C46 113.3(3) .
C42 C41 B1 126.7(3) .
C46 C41 B1 120.1(3) .
F5 C46 C45 116.6(3) .
F5 C46 C41 118.6(3) .
C45 C46 C41 124.8(3) .
F12 C57 C56 119.3(3) .
F12 C57 C58 120.4(3) .
C56 C57 C58 120.3(3) .
C6 C5 C4 120.7(3) .
C6 C7 C8 119.8(3) .
C5 C6 C7 120.0(3) .
C20 C19 C24 119.1(3) .
C20 C19 C18 122.6(3) .
C24 C19 C18 118.2(3) .
C27 C26 C25 120.4(3) .
F1 C42 C41 120.7(3) .
F1 C42 C43 115.5(3) .
C41 C42 C43 123.9(3) .
C29 C30 C25 120.3(3) .
C23 C24 C19 120.4(3) .
O4 C34 C33 104.2(3) .
O4 C31 C32 104.4(3) .
C32 C33 C34 102.4(3) .
C31 C32 C33 102.5(3) .
C40 C39 Si1 113.3(3) .
C36 C35 Si1 113.4(3) .
C13 C14 C15 120.2(3) .
F2 C43 C44 120.3(3) .
F2 C43 C42 120.0(3) .
C44 C43 C42 119.7(3) .
C28 C27 C26 119.9(3) .
C28 C29 C30 120.1(3) .
F3 C44 C43 120.6(4) .
F3 C44 C45 120.3(3) .
C43 C44 C45 119.1(3) .
C29 C28 C27 120.3(3) .
C21 C20 C19 120.0(4) .
C22 C23 C24 120.2(4) .
C59 C59 C60 115.4(5) 2_655
C23 C22 C21 119.9(4) .
C20 C21 C22 120.4(4) .
F4 C45 C44 120.0(3) .
F4 C45 C46 120.8(4) .
C44 C45 C46 119.2(3) .
C38 C37 Si1 112.3(4) .
F14 C55 C54 121.1(3) .
F14 C55 C56 120.6(3) .
C54 C55 C56 118.3(3) .
F13 C56 C57 121.3(3) .
F13 C56 C55 119.5(3) .
C57 C56 C55 119.3(3) .
C59 C60 C61 113.8(4) .
C17A C16A C15A 128.9(7) .
C17A C16A C21A 122.4(5) .
C15A C16A C21A 108.8(7) .
C16A C17A C18A 118.3(5) .
C19A C18A C17A 118.9(5) .
C20A C19A C18A 120.0(6) .
C21A C20A C19A 122.1(6) .
C20A C21A C16A 118.0(6) .
C17B C16B C21B 119.3(7) .
C16B C17B C18B 123.2(7) .
C17B C18B C19B 116.2(7) .
C18B C19B C20B 120.6(7) .
C21B C20B C19B 120.0(7) .
C20B C21B C16B 119.8(7) .
C20B C21B C15B 124.6(8) .
C16B C21B C15B 115.5(8) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F3 C44 1.345(4) .
U1 O1 1.9600(19) .
U1 O2 2.011(2) .
U1 O6 2.2496(19) .
U1 O5 2.2583(19) .
U1 O3 2.3014(19) .
U1 O7 2.320(2) .
U1 O4 2.426(2) .
O1 B1 1.503(4) .
O2 Si1 1.681(2) .
O5 C18 1.281(3) .
O3 C16 1.282(3) .
O7 C3 1.274(3) .
O6 C1 1.283(3) .
O4 C31 1.457(4) .
O4 C34 1.458(4) .
Si1 C39 1.853(4) .
Si1 C35 1.852(4) .
Si1 C37 1.874(5) .
F10 C52 1.351(3) .
F15 C54 1.357(4) .
F6 C48 1.347(3) .
C47 C48 1.385(4) .
C47 C52 1.400(4) .
C47 B1 1.646(4) .
C52 C51 1.377(4) .
C4 C9 1.395(4) .
C4 C5 1.395(4) .
C4 C1 1.485(4) .
C1 C2 1.390(4) .
C18 C17 1.399(4) .
C18 C19 1.479(4) .
C16 C17 1.400(4) .
C16 C25 1.487(4) .
F7 C49 1.343(3) .
F11 C58 1.355(4) .
F14 C55 1.341(4) .
F13 C56 1.346(4) .
C25 C26 1.392(4) .
C25 C30 1.392(4) .
C15 C14 1.387(4) .
C15 C10 1.401(4) .
C10 C11 1.396(4) .
C10 C3 1.486(4) .
C3 C2 1.402(4) .
C9 C8 1.379(4) .
F9 C51 1.342(3) .
F8 C50 1.342(3) .
C48 C49 1.387(4) .
C51 C50 1.366(4) .
C49 C50 1.375(4) .
F1 C42 1.339(4) .
F5 C46 1.352(4) .
F12 C57 1.349(4) .
C53 C58 1.390(4) .
C53 C54 1.389(4) .
C53 B1 1.650(4) .
C54 C55 1.379(4) .
C58 C57 1.377(4) .
C11 C12 1.380(4) .
C12 C13 1.390(5) .
C13 C14 1.385(5) .
C8 C7 1.390(5) .
B1 C41 1.649(4) .
C41 C42 1.387(4) .
C41 C46 1.390(4) .
C46 C45 1.378(5) .
C57 C56 1.363(5) .
C5 C6 1.382(4) .
C7 C6 1.383(5) .
F2 C43 1.342(4) .
F4 C45 1.346(4) .
C19 C20 1.384(5) .
C19 C24 1.393(4) .
C26 C27 1.389(5) .
C42 C43 1.390(4) .
C30 C29 1.392(5) .
C24 C23 1.386(5) .
C34 C33 1.517(5) .
C31 C32 1.506(5) .
C33 C32 1.511(6) .
C39 C40 1.548(5) .
C35 C36 1.527(7) .
C43 C44 1.370(5) .
C27 C28 1.384(5) .
C29 C28 1.374(6) .
C44 C45 1.374(6) .
C20 C21 1.382(6) .
C23 C22 1.361(6) .
C59 C59 1.495(12) 2_655
C59 C60 1.507(8) .
C22 C21 1.390(7) .
C37 C38 1.492(8) .
C55 C56 1.385(5) .
C60 C61 1.522(9) .
C15A C16A 1.375(7) .
C16A C17A 1.345(7) .
C16A C21A 1.369(7) .
C17A C18A 1.388(6) .
C18A C19A 1.363(7) .
C19A C20A 1.350(7) .
C20A C21A 1.322(7) .
C16B C17B 1.345(8) .
C16B C21B 1.350(8) .
C17B C18B 1.358(8) .
C18B C19B 1.366(8) .
C19B C20B 1.377(8) .
C20B C21B 1.335(8) .
C21B C15B 1.384(8) .
