#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:00:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179435 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/32/4333264.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_4333264
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 H44 F2 N2 U'
_chemical_formula_weight         780.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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            4
_cell_length_a                   17.9790(19)
_cell_length_b                   18.0889(19)
_cell_length_c                   9.9044(11)
_cell_measurement_temperature    141(2)
_cell_volume                     3221.1(6)
_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 0.962
_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  0.0736
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            34385
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.87
_diffrn_reflns_theta_min         2.25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.077
_exptl_absorpt_correction_T_max  0.4300
_exptl_absorpt_correction_T_min  0.4300
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.03 (Sheldrick, 2001)'
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.835
_refine_diff_density_min         -8.220
_refine_diff_density_rms         0.293
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.486
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     137
_refine_ls_number_reflns         4194
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      3.486
_refine_ls_R_factor_all          0.0781
_refine_ls_R_factor_gt           0.0712
_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)+(0.0001P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1908
_refine_ls_wR_factor_ref         0.1915
_reflns_number_gt                3748
_reflns_number_total             4194
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700455bsup1.cif
_cod_data_source_block           apx249b
_cod_original_sg_symbol_H-M      'P nma'
_cod_database_code               4333264
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.49145(2) 0.2500 0.31341(5) 0.01484(18) Uani 1 2 d S . .
F1 F 0.2449(7) 0.3853(9) -0.3067(14) 0.042(2) Uani 0.50 1 d P A 1
F1' F 0.2182(7) 0.4197(8) -0.2477(14) 0.042(2) Uani 0.50 1 d P B 2
N1 N 0.4512(5) 0.3499(5) 0.2147(10) 0.041(3) Uani 1 1 d . C .
C1 C 0.4274(7) 0.4086(6) 0.1602(14) 0.049(4) Uani 1 1 d . . .
C2 C 0.4374(12) 0.4806(12) 0.257(2) 0.029(3) Uani 0.50 1 d P C 1
H2A H 0.4665 0.4674 0.3348 0.043 Uiso 0.50 1 calc PR C 1
H2B H 0.3895 0.4978 0.2860 0.043 Uiso 0.50 1 calc PR C 1
H2C H 0.4623 0.5192 0.2082 0.043 Uiso 0.50 1 calc PR C 1
C2' C 0.4579(13) 0.4887(11) 0.183(2) 0.029(3) Uani 0.50 1 d P C 2
H2'1 H 0.4996 0.4869 0.2435 0.043 Uiso 0.50 1 calc PR C 2
H2'2 H 0.4195 0.5189 0.2219 0.043 Uiso 0.50 1 calc PR C 2
H2'3 H 0.4732 0.5094 0.0984 0.043 Uiso 0.50 1 calc PR C 2
C3 C 0.3844(4) 0.4045(4) 0.0181(8) 0.019(3) Uani 0.50 1 d PG A 1
C4 C 0.3929(4) 0.3448(5) -0.0689(10) 0.026(3) Uani 0.50 1 d PG A 1
H4 H 0.4296 0.3097 -0.0525 0.031 Uiso 0.50 1 calc PR A 1
C5 C 0.3465(5) 0.3375(5) -0.1804(9) 0.025(3) Uani 0.50 1 d PG A 1
H5 H 0.3522 0.2975 -0.2386 0.030 Uiso 0.50 1 calc PR A 1
C6 C 0.2916(5) 0.3899(6) -0.2049(7) 0.025(3) Uani 0.50 1 d PG A 1
C7 C 0.2831(4) 0.4496(5) -0.1179(8) 0.030(5) Uani 0.50 1 d PG A 1
H7 H 0.2464 0.4847 -0.1343 0.036 Uiso 0.50 1 calc PR A 1
C8 C 0.3295(4) 0.4569(4) -0.0064(8) 0.023(4) Uani 0.50 1 d PG A 1
H8 H 0.3238 0.4968 0.0518 0.027 Uiso 0.50 1 calc PR A 1
C3' C 0.3656(5) 0.4123(5) 0.0675(7) 0.019(3) Uani 0.50 1 d PG B 2
C4' C 0.3531(5) 0.3494(4) -0.0096(8) 0.026(3) Uani 0.50 1 d PG B 2
H4' H 0.3780 0.3057 0.0106 0.031 Uiso 0.50 1 calc PR A 2
C5' C 0.3033(4) 0.3517(4) -0.1169(8) 0.025(3) Uani 0.50 1 d PG B 2
H5' H 0.2949 0.3095 -0.1685 0.030 Uiso 0.50 1 calc PR A 2
C6' C 0.2661(4) 0.4169(6) -0.1471(8) 0.025(3) Uani 0.50 1 d PG B 2
C7' C 0.2786(4) 0.4799(4) -0.0700(10) 0.030(5) Uani 0.50 1 d PG B 2
H7' H 0.2537 0.5236 -0.0901 0.036 Uiso 0.50 1 calc PR A 2
C8' C 0.3284(5) 0.4776(4) 0.0373(9) 0.023(4) Uani 0.50 1 d PG B 2
H8' H 0.3367 0.5198 0.0889 0.027 Uiso 0.50 1 calc PR A 2
C9 C 0.6050(6) 0.2899(7) 0.1411(11) 0.041(2) Uani 1 1 d . . .
C10 C 0.6268(6) 0.3122(7) 0.2727(10) 0.041(2) Uani 1 1 d . . .
C11 C 0.6416(8) 0.2500 0.3523(16) 0.041(2) Uani 1 2 d S . .
C12 C 0.5924(10) 0.3369(11) 0.0214(14) 0.096(4) Uani 1 1 d . . .
H12A H 0.5783 0.3065 -0.0538 0.144 Uiso 1 1 calc R D .
H12B H 0.6373 0.3631 -0.0001 0.144 Uiso 1 1 calc R . .
H12C H 0.5535 0.3717 0.0402 0.144 Uiso 1 1 calc R . .
C13 C 0.6394(11) 0.3914(11) 0.3153(16) 0.096(4) Uani 1 1 d . . .
H13A H 0.6256 0.4239 0.2429 0.144 Uiso 1 1 calc R D .
H13B H 0.6910 0.3985 0.3368 0.144 Uiso 1 1 calc R . .
H13C H 0.6096 0.4022 0.3934 0.144 Uiso 1 1 calc R . .
C14 C 0.6777(15) 0.2500 0.488(2) 0.096(4) Uani 1 2 d S . .
H14A H 0.6809 0.2002 0.5208 0.144 Uiso 0.50 1 calc PR D .
H14B H 0.6486 0.2792 0.5491 0.144 Uiso 0.50 1 calc PR . .
H14C H 0.7267 0.2706 0.4805 0.144 Uiso 0.50 1 calc PR . .
C15 C 0.4183(4) 0.3343(4) 0.5118(7) 0.0189(17) Uani 0.50 1 d PG D -3
C16 C 0.4700(4) 0.2894(5) 0.5825(7) 0.0189(17) Uani 0.50 1 d PG D -3
C17 C 0.4460(4) 0.2148(4) 0.5722(7) 0.0189(17) Uani 0.50 1 d PG D -3
C18 C 0.3794(4) 0.2136(4) 0.4951(7) 0.0189(17) Uani 0.50 1 d PG D -3
C19 C 0.3623(4) 0.2875(4) 0.4578(7) 0.0189(17) Uani 0.50 1 d PG D -3
C20 C 0.4221(6) 0.4172(4) 0.4967(12) 0.029(2) Uani 0.50 1 d PG D -3
H20A H 0.4653 0.4356 0.5426 0.044 Uiso 0.50 1 calc PR D -3
H20B H 0.3783 0.4391 0.5352 0.044 Uiso 0.50 1 calc PR D -3
H20C H 0.4250 0.4298 0.4026 0.044 Uiso 0.50 1 calc PR D -3
C21 C 0.5385(5) 0.3162(6) 0.6557(11) 0.029(2) Uani 0.50 1 d PG D -3
H21A H 0.5421 0.3690 0.6474 0.044 Uiso 0.50 1 calc PR D -3
H21B H 0.5819 0.2937 0.6168 0.044 Uiso 0.50 1 calc PR D -3
H21C H 0.5352 0.3031 0.7494 0.044 Uiso 0.50 1 calc PR D -3
C22 C 0.4846(6) 0.1484(5) 0.6325(12) 0.029(2) Uani 0.50 1 d PG D -3
H22A H 0.4571 0.1045 0.6109 0.044 Uiso 0.50 1 calc PR D -3
H22B H 0.4872 0.1540 0.7288 0.044 Uiso 0.50 1 calc PR D -3
H22C H 0.5339 0.1446 0.5963 0.044 Uiso 0.50 1 calc PR D -3
C23 C 0.3348(5) 0.1458(5) 0.4592(12) 0.029(2) Uani 0.50 1 d PG D -3
H23A H 0.3583 0.1028 0.4967 0.044 Uiso 0.50 1 calc PR D -3
H23B H 0.3321 0.1410 0.3628 0.044 Uiso 0.50 1 calc PR D -3
H23C H 0.2854 0.1504 0.4954 0.044 Uiso 0.50 1 calc PR D -3
C24 C 0.2961(5) 0.3119(6) 0.3753(11) 0.029(2) Uani 0.50 1 d PG D -3
H24A H 0.2974 0.3646 0.3643 0.044 Uiso 0.50 1 calc PR D -3
H24B H 0.2511 0.2980 0.4208 0.044 Uiso 0.50 1 calc PR D -3
H24C H 0.2978 0.2886 0.2882 0.044 Uiso 0.50 1 calc PR D -3
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'
F F 0.0171 0.0103 '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'
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 112.1(4) 8_565 .
N1 U1 C10 125.1(4) 8_565 .
N1 U1 C10 83.5(4) . .
N1 U1 C10 83.5(4) 8_565 8_565
N1 U1 C10 125.1(4) . 8_565
C10 U1 C10 49.0(6) . 8_565
N1 U1 C11 113.1(3) 8_565 .
N1 U1 C11 113.1(3) . .
C10 U1 C11 29.8(3) . .
C10 U1 C11 29.8(3) 8_565 .
N1 U1 C17 120.6(3) 8_565 8_565
N1 U1 C17 97.3(3) . 8_565
C10 U1 C17 107.9(3) . 8_565
C10 U1 C17 119.9(3) 8_565 8_565
C11 U1 C17 99.3(3) . 8_565
N1 U1 C17 97.3(3) 8_565 .
N1 U1 C17 120.6(3) . .
C10 U1 C17 119.9(3) . .
C10 U1 C17 107.9(3) 8_565 .
C11 U1 C17 99.3(3) . .
C17 U1 C17 26.6(3) 8_565 .
N1 U1 C9 100.7(4) 8_565 .
N1 U1 C9 75.6(4) . .
C10 U1 C9 30.1(3) . .
C10 U1 C9 49.6(4) 8_565 .
C11 U1 C9 49.8(4) . .
C17 U1 C9 137.1(3) 8_565 .
C17 U1 C9 148.5(3) . .
N1 U1 C9 75.6(4) 8_565 8_565
N1 U1 C9 100.7(4) . 8_565
C10 U1 C9 49.6(4) . 8_565
C10 U1 C9 30.1(3) 8_565 8_565
C11 U1 C9 49.8(4) . 8_565
C17 U1 C9 148.5(3) 8_565 8_565
C17 U1 C9 137.1(3) . 8_565
C9 U1 C9 30.4(5) . 8_565
N1 U1 C16 126.6(3) 8_565 .
N1 U1 C16 99.9(3) . .
C10 U1 C16 99.2(3) . .
C10 U1 C16 111.9(3) 8_565 .
C11 U1 C16 90.1(3) . .
C17 U1 C16 9.28(6) 8_565 .
C17 U1 C16 29.65(7) . .
C9 U1 C16 128.9(3) . .
C9 U1 C16 139.6(3) 8_565 .
N1 U1 C18 81.6(3) 8_565 .
N1 U1 C18 104.3(3) . .
C10 U1 C18 147.6(3) . .
C10 U1 C18 130.4(3) 8_565 .
C11 U1 C18 128.7(3) . .
C17 U1 C18 40.6(2) 8_565 .
C17 U1 C18 29.68(7) . .
C9 U1 C18 177.6(3) . .
C9 U1 C18 151.1(3) 8_565 .
C16 U1 C18 48.77(9) . .
N1 U1 C15 127.4(3) 8_565 .
N1 U1 C15 73.0(3) . .
C10 U1 C15 107.4(3) . .
C10 U1 C15 138.5(3) 8_565 .
C11 U1 C15 111.4(3) . .
C17 U1 C15 24.4(2) 8_565 .
C17 U1 C15 48.64(9) . .
C9 U1 C15 129.5(3) . .
C9 U1 C15 157.0(3) 8_565 .
C16 U1 C15 29.38(7) . .
C18 U1 C15 48.50(9) . .
C1 N1 U1 178.6(10) . .
N1 C1 C3' 124.8(9) . .
N1 C1 C2' 126.6(12) . .
C3' C1 C2' 108.6(11) . .
N1 C1 C3 119.8(9) . .
C3' C1 C3 22.3(2) . .
C2' C1 C3 109.8(11) . .
N1 C1 C2 112.4(12) . .
C3' C1 C2 115.1(11) . .
C2' C1 C2 30.2(10) . .
C3 C1 C2 127.4(11) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C2' H2'1 109.5 . .
C1 C2' H2'2 109.5 . .
H2'1 C2' H2'2 109.5 . .
C1 C2' H2'3 109.5 . .
H2'1 C2' H2'3 109.5 . .
H2'2 C2' H2'3 109.5 . .
C4 C3 C8 120.0 . .
C4 C3 C1 121.7(6) . .
C8 C3 C1 117.5(6) . .
C5 C4 C3 120.0 . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 120.0 . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
F1 C6 C7 117.0(9) . .
F1 C6 C5 123.0(9) . .
C7 C6 C5 120.0 . .
C6 C7 C8 120.0 . .
C6 C7 H7 120.0 . .
C8 C7 H7 120.0 . .
C7 C8 C3 120.0 . .
C7 C8 H8 120.0 . .
C3 C8 H8 120.0 . .
C4' C3' C8' 120.0 . .
C4' C3' C1 115.9(7) . .
C8' C3' C1 123.2(7) . .
C3' C4' C5' 120.0 . .
C3' C4' H4' 120.0 . .
C5' C4' H4' 120.0 . .
C6' C5' C4' 120.0 . .
C6' C5' H5' 120.0 . .
C4' C5' H5' 120.0 . .
F1' C6' C7' 119.4(9) . .
F1' C6' C5' 120.6(9) . .
C7' C6' C5' 120.0 . .
C8' C7' C6' 120.0 . .
C8' C7' H7' 120.0 . .
C6' C7' H7' 120.0 . .
C7' C8' C3' 120.0 . .
C7' C8' H8' 120.0 . .
C3' C8' H8' 120.0 . .
C10 C9 C9 106.5(8) . 8_565
C10 C9 C12 128.1(12) . .
C9 C9 C12 125.1(8) 8_565 .
C10 C9 U1 73.2(5) . .
C9 C9 U1 74.8(3) 8_565 .
C12 C9 U1 122.3(9) . .
C11 C10 C9 110.0(12) . .
C11 C10 C13 125.2(12) . .
C9 C10 C13 124.5(13) . .
C11 C10 U1 75.7(7) . .
C9 C10 U1 76.8(6) . .
C13 C10 U1 119.1(9) . .
C10 C11 C10 107.0(14) . 8_565
C10 C11 C14 126.2(7) . .
C10 C11 C14 126.2(7) 8_565 .
C10 C11 U1 74.5(7) . .
C10 C11 U1 74.5(7) 8_565 .
C14 C11 U1 123.9(12) . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C10 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C10 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C19 C15 C16 108.0 . .
C19 C15 C20 126.0 . .
C16 C15 C20 126.0 . .
C19 C15 U1 75.3(2) . .
C16 C15 U1 74.2(2) . .
C20 C15 U1 116.6(2) . .
C17 C16 C15 108.0 . .
C17 C16 C21 126.0 . .
C15 C16 C21 126.0 . .
C17 C16 U1 74.4(3) . .
C15 C16 U1 76.4(3) . .
C21 C16 U1 115.4(2) . .
C16 C17 C18 108.0 . .
C16 C17 C22 126.0 . .
C18 C17 C22 126.0 . .
C16 C17 U1 76.0(3) . .
C18 C17 U1 75.8(2) . .
C22 C17 U1 114.5(2) . .
C19 C18 C17 108.0 . .
C19 C18 C23 126.0 . .
C17 C18 C23 126.0 . .
C19 C18 U1 76.5(3) . .
C17 C18 U1 74.5(2) . .
C23 C18 U1 115.2(2) . .
C18 C19 C15 108.0 . .
C18 C19 C24 126.0 . .
C15 C19 C24 126.0 . .
C18 C19 U1 74.1(3) . .
C15 C19 U1 75.5(2) . .
C24 C19 U1 116.5(2) . .
C15 C20 H20A 109.5 . .
C15 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C15 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C16 C21 H21A 109.5 . .
C16 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C16 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C17 C22 H22A 109.5 . .
C17 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C17 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C18 C23 H23A 109.5 . .
C18 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C18 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C19 C24 H24A 109.5 . .
C19 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C19 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 N1 2.179(9) 8_565
U1 N1 2.179(9) .
U1 C10 2.710(10) .
U1 C10 2.710(10) 8_565
U1 C11 2.726(15) .
U1 C17 2.764(6) 8_565
U1 C17 2.764(7) .
U1 C9 2.757(10) .
U1 C9 2.757(10) 8_565
U1 C16 2.785(7) .
U1 C18 2.780(7) .
U1 C15 2.814(7) .
F1 C6 1.315(14) .
F1' C6' 1.318(14) .
N1 C1 1.266(13) .
C1 C3' 1.442(12) .
C1 C2' 1.57(2) .
C1 C3 1.607(13) .
C1 C2 1.63(2) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C2' H2'1 0.9600 .
C2' H2'2 0.9600 .
C2' H2'3 0.9600 .
C3 C4 1.3900 .
C3 C8 1.3900 .
C4 C5 1.3900 .
C4 H4 0.9300 .
C5 C6 1.3900 .
C5 H5 0.9300 .
C6 C7 1.3900 .
C7 C8 1.3900 .
C7 H7 0.9300 .
C8 H8 0.9300 .
C3' C4' 1.3900 .
C3' C8' 1.3900 .
C4' C5' 1.3900 .
C4' H4' 0.9300 .
C5' C6' 1.3900 .
C5' H5' 0.9300 .
C6' C7' 1.3900 .
C7' C8' 1.3900 .
C7' H7' 0.9300 .
C8' H8' 0.9300 .
C9 C10 1.419(14) .
C9 C9 1.44(3) 8_565
C9 C12 1.48(2) .
C10 C11 1.399(16) .
C10 C13 1.51(2) .
C11 C10 1.399(16) 8_565
C11 C14 1.49(3) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C19 1.4200 .
C15 C16 1.4200 .
C15 C20 1.5095 .
C16 C17 1.4200 .
C16 C21 1.5095 .
C17 C18 1.4200 .
C17 C22 1.5095 .
C18 C19 1.4200 .
C18 C23 1.5095 .
C19 C24 1.5095 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
