#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:00:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179435 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/32/4333268.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4333268
loop_
_publ_author_name
'Schelter, Eric J.'
'Yang, Ping'
'Scott, Brian L.'
'Thompson, J. D.'
'Martin, Richard L.'
'Hay, P. Jeffrey'
'Morris, David E.'
'Kiplinger, Jaqueline L.'
_publ_section_title
;
 Systematic Studies of Early Actinide Complexes:  Uranium(IV)
 Fluoroketimides
;
_journal_issue                   18
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7477
_journal_page_last               7488
_journal_paper_doi               10.1021/ic700455b
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C36 H36 F10 N2 U'
_chemical_formula_weight         924.70
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.9821(4)
_cell_length_b                   16.3139(4)
_cell_length_c                   26.9285(6)
_cell_measurement_temperature    141(2)
_cell_volume                     7021.1(3)
_computing_cell_refinement       'SAINT+, v. 7.06 (Bruker AXS, 2001)'
_computing_data_collection       'APEX II, v. 1.08 (Bruker AXS, 2003)'
_computing_data_reduction        'SAINT+, v. 7.06 (Bruker AXS, 2001)'
_computing_molecular_graphics    'SHELXTL, v. 6.10, (Bruker AXS, 2000)'
_computing_publication_material  'SHELXTL, v. 6.10, (Bruker AXS, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      141(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 with APEXII CCD'
_diffrn_measurement_method       'ω 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  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36815
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.31
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.705
_exptl_absorpt_correction_T_max  0.8341
_exptl_absorpt_correction_T_min  0.4847
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.03 (Sheldrick, 2001)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.750
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular plate'
_exptl_crystal_F_000             3584
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.387
_refine_diff_density_min         -1.367
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.559
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         6408
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.559
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0318
_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)+(0.0357P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.1002
_reflns_number_gt                4282
_reflns_number_total             6408
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700455bsup1.cif
_cod_data_source_block           apx034
_cod_original_sg_symbol_H-M      'P ccn'
_cod_database_code               4333268
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, 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
U1 U 0.2500 0.7500 0.428689(9) 0.01705(9) Uani 1 2 d S
U2 U -0.2500 0.7500 0.209106(9) 0.01622(9) Uani 1 2 d S
F1 F 0.02282(18) 0.62037(19) 0.55683(12) 0.0349(8) Uani 1 1 d .
F2 F 0.05306(19) 0.58373(18) 0.65256(12) 0.0377(8) Uani 1 1 d .
F3 F 0.1335(2) 0.6940(2) 0.71197(11) 0.0369(8) Uani 1 1 d .
F4 F 0.1915(2) 0.83603(19) 0.67319(11) 0.0380(9) Uani 1 1 d .
F5 F 0.1676(2) 0.87088(18) 0.57646(11) 0.0352(8) Uani 1 1 d .
F6 F -0.36907(19) 0.50787(18) 0.33473(11) 0.0345(8) Uani 1 1 d .
F7 F -0.40999(19) 0.5343(2) 0.43062(12) 0.0396(9) Uani 1 1 d .
F8 F -0.3083(2) 0.6267(2) 0.48947(11) 0.0423(9) Uani 1 1 d .
F9 F -0.1683(2) 0.6957(2) 0.45091(13) 0.0467(9) Uani 1 1 d .
F10 F -0.12999(19) 0.6749(2) 0.35456(12) 0.0389(9) Uani 1 1 d .
N1 N 0.1412(3) 0.7594(2) 0.47864(17) 0.0239(11) Uani 1 1 d .
N2 N -0.2327(3) 0.6436(3) 0.25820(17) 0.0261(11) Uani 1 1 d .
C1 C 0.15584(12) 0.61488(13) 0.39728(8) 0.0271(13) Uani 1 1 d G
C2 C 0.21049(14) 0.63372(13) 0.35730(7) 0.0238(12) Uani 1 1 d G
C3 C 0.29335(12) 0.61461(13) 0.37240(7) 0.0230(12) Uani 1 1 d G
C4 C 0.28991(13) 0.58395(13) 0.42171(7) 0.0229(12) Uani 1 1 d G
C5 C 0.20493(14) 0.58412(13) 0.43709(7) 0.0250(13) Uani 1 1 d G
C6 C 0.06203(12) 0.6256(2) 0.39743(12) 0.0391(16) Uani 1 1 d G
H6A H 0.0443 0.6475 0.3660 0.059 Uiso 1 1 calc R
H6B H 0.0464 0.6628 0.4235 0.059 Uiso 1 1 calc R
H6C H 0.0357 0.5735 0.4029 0.059 Uiso 1 1 calc R
C7 C 0.18497(19) 0.6680(2) 0.30750(8) 0.0362(15) Uani 1 1 d G
H7A H 0.1254 0.6754 0.3067 0.054 Uiso 1 1 calc R
H7B H 0.2013 0.6307 0.2817 0.054 Uiso 1 1 calc R
H7C H 0.2120 0.7199 0.3024 0.054 Uiso 1 1 calc R
C8 C 0.37139(15) 0.6251(2) 0.34146(10) 0.0287(13) Uani 1 1 d G
H8A H 0.4192 0.6077 0.3603 0.043 Uiso 1 1 calc R
H8B H 0.3777 0.6817 0.3325 0.043 Uiso 1 1 calc R
H8C H 0.3669 0.5925 0.3119 0.043 Uiso 1 1 calc R
C9 C 0.36366(16) 0.5561(2) 0.45239(10) 0.0342(15) Uani 1 1 d G
H9A H 0.4141 0.5622 0.4334 0.051 Uiso 1 1 calc R
H9B H 0.3565 0.4996 0.4613 0.051 Uiso 1 1 calc R
H9C H 0.3673 0.5888 0.4820 0.051 Uiso 1 1 calc R
C10 C 0.17246(19) 0.5565(2) 0.48699(8) 0.0397(16) Uani 1 1 d G
H10A H 0.1128 0.5628 0.4879 0.060 Uiso 1 1 calc R
H10B H 0.1974 0.5891 0.5127 0.060 Uiso 1 1 calc R
H10C H 0.1866 0.4999 0.4921 0.060 Uiso 1 1 calc R
C11 C 0.0811(3) 0.7642(3) 0.5078(2) 0.0254(13) Uani 1 1 d .
C12 C -0.0064(3) 0.7886(4) 0.4949(2) 0.0387(15) Uani 1 1 d .
H12A H -0.0103 0.7983 0.4598 0.058 Uiso 1 1 calc R
H12B H -0.0209 0.8377 0.5126 0.058 Uiso 1 1 calc R
H12C H -0.0442 0.7454 0.5041 0.058 Uiso 1 1 calc R
C13 C 0.0945(3) 0.7468(3) 0.5633(2) 0.0233(12) Uani 1 1 d .
C14 C 0.0651(3) 0.6750(3) 0.5849(2) 0.0246(13) Uani 1 1 d .
C15 C 0.0783(3) 0.6559(3) 0.6337(2) 0.0262(13) Uani 1 1 d .
C16 C 0.1212(3) 0.7107(4) 0.6637(2) 0.0283(14) Uani 1 1 d .
C17 C 0.1503(3) 0.7834(4) 0.6437(2) 0.0265(13) Uani 1 1 d .
C18 C 0.1372(3) 0.7997(3) 0.5947(2) 0.0242(13) Uani 1 1 d .
C19 C -0.12133(14) 0.85043(12) 0.17874(10) 0.0336(16) Uani 1 1 d G
C20 C -0.13595(14) 0.79707(15) 0.13799(8) 0.0319(15) Uani 1 1 d G
C21 C -0.10892(14) 0.71735(14) 0.15180(8) 0.0263(13) Uani 1 1 d G
C22 C -0.07760(13) 0.72144(13) 0.20108(8) 0.0241(13) Uani 1 1 d G
C23 C -0.08526(14) 0.80368(14) 0.21773(9) 0.0282(14) Uani 1 1 d G
C24 C -0.1407(2) 0.94095(13) 0.18032(15) 0.076(3) Uani 1 1 d G
H24A H -0.1249 0.9627 0.2121 0.114 Uiso 1 1 calc R
H24B H -0.1996 0.9491 0.1753 0.114 Uiso 1 1 calc R
H24C H -0.1100 0.9685 0.1546 0.114 Uiso 1 1 calc R
C25 C -0.1736(2) 0.8209(2) 0.08865(10) 0.079(3) Uani 1 1 d G
H25A H -0.1865 0.8784 0.0888 0.118 Uiso 1 1 calc R
H25B H -0.2239 0.7901 0.0832 0.118 Uiso 1 1 calc R
H25C H -0.1344 0.8095 0.0626 0.118 Uiso 1 1 calc R
C26 C -0.1128(2) 0.64157(17) 0.11972(11) 0.0444(17) Uani 1 1 d G
H26A H -0.0907 0.5957 0.1378 0.067 Uiso 1 1 calc R
H26B H -0.0804 0.6501 0.0902 0.067 Uiso 1 1 calc R
H26C H -0.1699 0.6307 0.1108 0.067 Uiso 1 1 calc R
C27 C -0.0423(2) 0.65076(16) 0.23059(11) 0.0422(17) Uani 1 1 d G
H27A H -0.0255 0.6698 0.2628 0.063 Uiso 1 1 calc R
H27B H 0.0052 0.6285 0.2135 0.063 Uiso 1 1 calc R
H27C H -0.0843 0.6091 0.2342 0.063 Uiso 1 1 calc R
C28 C -0.0596(2) 0.8358(2) 0.26804(10) 0.062(2) Uani 1 1 d G
H28A H -0.0714 0.8934 0.2699 0.092 Uiso 1 1 calc R
H28B H -0.0007 0.8269 0.2728 0.092 Uiso 1 1 calc R
H28C H -0.0903 0.8075 0.2934 0.092 Uiso 1 1 calc R
C29 C -0.2279(3) 0.5827(3) 0.2861(2) 0.0249(14) Uani 1 1 d .
C30 C -0.2019(4) 0.4977(3) 0.2700(2) 0.0388(15) Uani 1 1 d .
H30A H -0.1909 0.4976 0.2350 0.058 Uiso 1 1 calc R
H30B H -0.2461 0.4596 0.2772 0.058 Uiso 1 1 calc R
H30C H -0.1523 0.4817 0.2876 0.058 Uiso 1 1 calc R
C31 C -0.2478(3) 0.5917(3) 0.3414(2) 0.0260(12) Uani 1 1 d .
C32 C -0.3182(3) 0.5557(3) 0.3626(2) 0.0265(13) Uani 1 1 d .
C33 C -0.3396(4) 0.5674(3) 0.4116(2) 0.0303(14) Uani 1 1 d .
C34 C -0.2897(4) 0.6153(4) 0.4415(2) 0.0336(14) Uani 1 1 d .
C35 C -0.2180(4) 0.6499(4) 0.4212(2) 0.0313(14) Uani 1 1 d .
C36 C -0.1990(3) 0.6387(3) 0.3727(2) 0.0268(13) Uani 1 1 d .
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'
F F 0.0171 0.0103 '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
_geom_angle_site_symmetry_3
N1 U1 N1 104.8(2) 2_565 .
N1 U1 C3 94.65(11) 2_565 .
N1 U1 C3 125.98(11) . .
N1 U1 C3 125.98(14) 2_565 2_565
N1 U1 C3 94.65(15) . 2_565
C3 U1 C3 113.56(11) . 2_565
N1 U1 C2 123.71(11) 2_565 .
N1 U1 C2 106.91(12) . .
C3 U1 C2 29.7 . .
C3 U1 C2 96.27(10) 2_565 .
N1 U1 C2 106.91(15) 2_565 2_565
N1 U1 C2 123.71(14) . 2_565
C3 U1 C2 96.27(10) . 2_565
C3 U1 C2 29.7 2_565 2_565
C2 U1 C2 92.25(9) . 2_565
N1 U1 C4 78.05(11) 2_565 .
N1 U1 C4 106.81(11) . .
C3 U1 C4 29.6 . .
C3 U1 C4 142.71(10) 2_565 .
C2 U1 C4 48.8 . .
C2 U1 C4 124.43(10) 2_565 .
N1 U1 C4 106.81(16) 2_565 2_565
N1 U1 C4 78.05(16) . 2_565
C3 U1 C4 142.71(14) . 2_565
C3 U1 C4 29.6 2_565 2_565
C2 U1 C4 124.43(13) . 2_565
C2 U1 C4 48.79(8) 2_565 2_565
C4 U1 C4 172.27(13) . 2_565
N1 U1 C1 123.62(11) 2_565 .
N1 U1 C1 79.34(11) . .
C3 U1 C1 48.7 . .
C3 U1 C1 109.17(12) 2_565 .
C2 U1 C1 29.5 . .
C2 U1 C1 116.84(10) 2_565 .
C4 U1 C1 48.5 . .
C4 U1 C1 128.41(13) 2_565 .
N1 U1 C1 79.34(11) 2_565 2_565
N1 U1 C1 123.62(11) . 2_565
C3 U1 C1 109.17(6) . 2_565
C3 U1 C1 48.75(11) 2_565 2_565
C2 U1 C1 116.84(8) . 2_565
C2 U1 C1 29.52(8) 2_565 2_565
C4 U1 C1 128.4 . 2_565
C4 U1 C1 48.54(13) 2_565 2_565
C1 U1 C1 144.83(9) . 2_565
N1 U1 C5 79.38(16) 2_565 2_565
N1 U1 C5 94.94(16) . 2_565
C3 U1 C5 138.48(13) . 2_565
C3 U1 C5 48.66(6) 2_565 2_565
C2 U1 C5 140.62(13) . 2_565
C2 U1 C5 48.60(7) 2_565 2_565
C4 U1 C5 151.91(13) . 2_565
C4 U1 C5 29.4 2_565 2_565
C1 U1 C5 157.00(13) . 2_565
C1 U1 C5 29.33(13) 2_565 2_565
N1 U1 C5 94.94(11) 2_565 .
N1 U1 C5 79.38(11) . .
C3 U1 C5 48.7 . .
C3 U1 C5 138.48(11) 2_565 .
C2 U1 C5 48.6 . .
C2 U1 C5 140.62(8) 2_565 .
C4 U1 C5 29.4 . .
C4 U1 C5 151.91(12) 2_565 .
C1 U1 C5 29.3 . .
C1 U1 C5 157.0 2_565 .
C5 U1 C5 170.77(13) 2_565 .
N2 U2 N2 106.1(2) 2_465 .
N2 U2 C20 123.72(15) 2_465 2_465
N2 U2 C20 106.34(16) . 2_465
N2 U2 C20 106.34(12) 2_465 .
N2 U2 C20 123.72(12) . .
C20 U2 C20 91.85(10) 2_465 .
N2 U2 C19 123.66(12) 2_465 2_465
N2 U2 C19 78.63(12) . 2_465
C20 U2 C19 29.89(9) 2_465 2_465
C20 U2 C19 116.99(11) . 2_465
N2 U2 C19 78.63(12) 2_465 .
N2 U2 C19 123.66(12) . .
C20 U2 C19 116.99(12) 2_465 .
C20 U2 C19 29.9 . .
C19 U2 C19 145.44(12) 2_465 .
N2 U2 C21 94.62(16) 2_465 2_465
N2 U2 C21 125.88(15) . 2_465
C20 U2 C21 29.71(6) 2_465 2_465
C20 U2 C21 95.58(11) . 2_465
C19 U2 C21 49.03(12) 2_465 2_465
C19 U2 C21 109.05(13) . 2_465
N2 U2 C21 125.88(11) 2_465 .
N2 U2 C21 94.62(12) . .
C20 U2 C21 95.58(11) 2_465 .
C20 U2 C21 29.7 . .
C19 U2 C21 109.05(8) 2_465 .
C19 U2 C21 49.0 . .
C21 U2 C21 112.66(12) 2_465 .
N2 U2 C23 79.66(11) 2_465 .
N2 U2 C23 94.54(12) . .
C20 U2 C23 140.51(9) 2_465 .
C20 U2 C23 49.0 . .
C19 U2 C23 156.65(5) 2_465 .
C19 U2 C23 29.7 . .
C21 U2 C23 138.76(12) 2_465 .
C21 U2 C23 48.7 . .
N2 U2 C23 94.54(17) 2_465 2_465
N2 U2 C23 79.66(17) . 2_465
C20 U2 C23 49.02(8) 2_465 2_465
C20 U2 C23 140.51(14) . 2_465
C19 U2 C23 29.71(14) 2_465 2_465
C19 U2 C23 156.65(15) . 2_465
C21 U2 C23 48.74(7) 2_465 2_465
C21 U2 C23 138.76(14) . 2_465
C23 U2 C23 170.43(14) . 2_465
N2 U2 C22 77.97(17) 2_465 2_465
N2 U2 C22 107.53(17) . 2_465
C20 U2 C22 48.84(9) 2_465 2_465
C20 U2 C22 123.42(14) . 2_465
C19 U2 C22 48.84(14) 2_465 2_465
C19 U2 C22 127.76(15) . 2_465
C21 U2 C22 29.4 2_465 2_465
C21 U2 C22 141.75(15) . 2_465
C23 U2 C22 152.09(13) . 2_465
C23 U2 C22 29.4 2_465 2_465
N2 U2 C22 107.53(11) 2_465 .
N2 U2 C22 77.97(11) . .
C20 U2 C22 123.42(11) 2_465 .
C20 U2 C22 48.8 . .
C19 U2 C22 127.8 2_465 .
C19 U2 C22 48.8 . .
C21 U2 C22 141.75(12) 2_465 .
C21 U2 C22 29.4 . .
C23 U2 C22 29.4 . .
C23 U2 C22 152.09(14) 2_465 .
C22 U2 C22 171.16(15) 2_465 .
C11 N1 U1 178.4(4) . .
C29 N2 U2 176.3(4) . .
C2 C1 C5 108.0 . .
C2 C1 C6 126.0 . .
C5 C1 C6 126.0 . .
C2 C1 U1 74.21(7) . .
C5 C1 U1 75.71(7) . .
C6 C1 U1 116.19(6) . .
C3 C2 C1 108.0 . .
C3 C2 C7 126.0 . .
C1 C2 C7 126.0 . .
C3 C2 U1 74.89(7) . .
C1 C2 U1 76.27(7) . .
C7 C2 U1 115.06(7) . .
C4 C3 C2 108.0 . .
C4 C3 C8 126.0 . .
C2 C3 C8 126.0 . .
C4 C3 U1 76.07(7) . .
C2 C3 U1 75.41(7) . .
C8 C3 U1 114.78(7) . .
C3 C4 C5 108.0 . .
C3 C4 C9 126.0 . .
C5 C4 C9 126.0 . .
C3 C4 U1 74.32(7) . .
C5 C4 U1 76.10(7) . .
C9 C4 U1 115.73(7) . .
C4 C5 C1 108.0 . .
C4 C5 C10 126.0 . .
C1 C5 C10 126.0 . .
C4 C5 U1 74.52(7) . .
C1 C5 U1 74.96(7) . .
C10 C5 U1 116.60(6) . .
N1 C11 C12 126.3(5) . .
N1 C11 C13 119.7(5) . .
C12 C11 C13 113.9(5) . .
C14 C13 C18 115.8(5) . .
C14 C13 C11 121.1(5) . .
C18 C13 C11 123.1(5) . .
F1 C14 C15 117.7(5) . .
F1 C14 C13 119.4(5) . .
C15 C14 C13 122.9(5) . .
F2 C15 C14 121.1(5) . .
F2 C15 C16 119.5(5) . .
C14 C15 C16 119.3(5) . .
F3 C16 C17 120.2(5) . .
F3 C16 C15 120.4(5) . .
C17 C16 C15 119.4(5) . .
F4 C17 C18 121.5(5) . .
F4 C17 C16 118.9(5) . .
C18 C17 C16 119.6(5) . .
F5 C18 C17 117.7(5) . .
F5 C18 C13 119.4(5) . .
C17 C18 C13 122.9(5) . .
C20 C19 C23 108.0 . .
C20 C19 C24 126.0 . .
C23 C19 C24 126.0 . .
C20 C19 U2 75.04(8) . .
C23 C19 U2 76.35(7) . .
C24 C19 U2 114.86(7) . .
C19 C20 C21 108.0 . .
C19 C20 C25 126.0 . .
C21 C20 C25 126.0 . .
C19 C20 U2 75.07(8) . .
C21 C20 U2 76.33(7) . .
C25 C20 U2 114.84(7) . .
C22 C21 C20 108.0 . .
C22 C21 C26 126.0 . .
C20 C21 C26 126.0 . .
C22 C21 U2 76.02(8) . .
C20 C21 U2 73.95(7) . .
C26 C21 U2 116.14(7) . .
C23 C22 C21 108.0 . .
C23 C22 C27 126.0 . .
C21 C22 C27 126.0 . .
C23 C22 U2 74.56(7) . .
C21 C22 U2 74.53(8) . .
C27 C22 U2 116.96(7) . .
C22 C23 C19 108.0 . .
C22 C23 C28 126.0 . .
C19 C23 C28 126.0 . .
C22 C23 U2 76.00(7) . .
C19 C23 U2 73.95(8) . .
C28 C23 U2 116.17(7) . .
N2 C29 C30 125.1(5) . .
N2 C29 C31 119.8(5) . .
C30 C29 C31 115.1(5) . .
C36 C31 C32 116.1(5) . .
C36 C31 C29 122.0(5) . .
C32 C31 C29 121.8(5) . .
F6 C32 C33 117.5(5) . .
F6 C32 C31 120.0(5) . .
C33 C32 C31 122.4(5) . .
F7 C33 C34 119.3(5) . .
F7 C33 C32 121.1(5) . .
C34 C33 C32 119.6(5) . .
F8 C34 C33 120.9(6) . .
F8 C34 C35 120.5(6) . .
C33 C34 C35 118.6(5) . .
F9 C35 C36 121.0(6) . .
F9 C35 C34 118.3(5) . .
C36 C35 C34 120.7(6) . .
F10 C36 C35 118.4(5) . .
F10 C36 C31 119.1(5) . .
C35 C36 C31 122.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 N1 2.204(5) 2_565
U1 N1 2.204(5) .
U1 C3 2.767(2) .
U1 C3 2.767(4) 2_565
U1 C2 2.774(2) .
U1 C2 2.774(5) 2_565
U1 C4 2.789(2) .
U1 C4 2.7893(19) 2_565
U1 C1 2.800(2) .
U1 C1 2.800(2) 2_565
U1 C5 2.810(2) 2_565
U1 C5 2.810(2) .
U2 N2 2.199(5) 2_465
U2 N2 2.199(5) .
U2 C20 2.753(5) 2_465
U2 C20 2.753(2) .
U2 C19 2.754(2) 2_465
U2 C19 2.754(2) .
U2 C21 2.784(4) 2_465
U2 C21 2.784(2) .
U2 C23 2.784(2) .
U2 C23 2.784(3) 2_465
U2 C22 2.803(2) 2_465
U2 C22 2.803(2) .
F1 C14 1.350(6) .
F2 C15 1.345(6) .
F3 C16 1.343(6) .
F4 C17 1.343(6) .
F5 C18 1.351(6) .
F6 C32 1.355(6) .
F7 C33 1.349(6) .
F8 C34 1.339(6) .
F9 C35 1.353(6) .
F10 C36 1.344(6) .
N1 C11 1.243(7) .
N2 C29 1.248(7) .
C1 C2 1.4200 .
C1 C5 1.4200 .
C1 C6 1.5095 .
C2 C3 1.4200 .
C2 C7 1.5095 .
C3 C4 1.4200 .
C3 C8 1.5095 .
C4 C5 1.4200 .
C4 C9 1.5095 .
C5 C10 1.5095 .
C11 C12 1.495(7) .
C11 C13 1.535(8) .
C13 C14 1.390(7) .
C13 C18 1.388(7) .
C14 C15 1.366(8) .
C15 C16 1.387(8) .
C16 C17 1.382(8) .
C17 C18 1.363(7) .
C19 C20 1.4200 .
C19 C23 1.4200 .
C19 C24 1.5095 .
C20 C21 1.4200 .
C20 C25 1.5095 .
C21 C22 1.4200 .
C21 C26 1.5095 .
C22 C23 1.4200 .
C22 C27 1.5095 .
C23 C28 1.5095 .
C29 C30 1.511(7) .
C29 C31 1.531(8) .
C31 C36 1.380(7) .
C31 C32 1.391(7) .
C32 C33 1.376(8) .
C33 C34 1.377(8) .
C34 C35 1.389(9) .
C35 C36 1.351(8) .
