#------------------------------------------------------------------------------
#$Date: 2022-08-06 14:48:12 +0300 (Sat, 06 Aug 2022) $
#$Revision: 277109 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/06/7710607.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_7710607
loop_
_publ_author_name
'Wang, Shichun'
'Heng, Yi'
'Li, Tongyu'
'Wang, Dongwei'
'Hou, Guohua'
'Zi, Guofu'
'Walter, Marc D.'
_publ_section_title
;
 Intrinsic reactivity of
 [η⁵-1,3-(Me₃Si)₂C₅H₃]₂U(η⁴-C₄Ph₂)
 in small molecule activation.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11072
_journal_page_last               11085
_journal_paper_doi               10.1039/d2dt01730j
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C51 H74 N2 Si4 U'
_chemical_formula_sum            'C51 H74 N2 Si4 U'
_chemical_formula_weight         1065.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-05-11
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-05-12 deposited with the CCDC.	2022-06-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.0730(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.5053(3)
_cell_length_b                   11.6123(2)
_cell_length_c                   20.7096(3)
_cell_measurement_reflns_used    19932
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      75.6180
_cell_measurement_theta_min      4.3040
_cell_volume                     5170.82(14)
_computing_cell_refinement       'CrysAlisPro 1.171.40.35a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.35a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.35a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -25.00  60.00   0.50    0.14    --   47.70 -37.00 -60.00  170
  2  ω     61.00  87.00   0.50    0.55    --  104.75 -88.00  62.00   52
  3  ω     94.00 177.00   0.50    0.55    --  104.75  45.00  90.00  166
  4  ω    117.00 178.00   0.50    0.55    --  104.75  30.00 120.00  122
  5  ω     97.00 178.00   0.50    0.55    --  104.75  30.00 150.00  162
  6  ω     83.00 178.00   0.50    0.55    --  104.75  88.00 178.00  190
  7  ω    -21.00  14.00   0.50    0.14    --  -47.70  88.00 178.00   70
  8  ω    -21.00  75.00   0.50    0.14    --   47.70 -88.00  62.00  192
  9  ω    -75.00 -28.00   0.50    0.14    --  -47.70  88.00 178.00   94
 10  ω   -100.00 -48.00   0.50    0.55    -- -102.00  45.00  60.00  104
 11  ω   -115.00 -78.00   0.50    0.55    -- -102.00  45.00 -30.00   74
 12  ω   -113.00 -29.00   0.50    0.55    -- -102.00  61.00-180.00  168
 13  ω   -119.00 -93.00   0.50    0.14    --  -47.70-125.00  60.00   52
 14  ω   -175.00-132.00   0.50    0.55    -- -102.00 -88.00  62.00   86
 15  ω   -108.00 -71.00   0.50    0.14    --  -47.70-125.00-150.00   74
 16  ω   -115.00 -57.00   0.50    0.55    -- -102.00  88.00 178.00  116
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0265123000
_diffrn_orient_matrix_UB_12      -0.0610074000
_diffrn_orient_matrix_UB_13      -0.0604888000
_diffrn_orient_matrix_UB_21      0.0196823000
_diffrn_orient_matrix_UB_22      0.1028844000
_diffrn_orient_matrix_UB_23      -0.0419166000
_diffrn_orient_matrix_UB_31      0.0636029000
_diffrn_orient_matrix_UB_32      -0.0575095000
_diffrn_orient_matrix_UB_33      -0.0106383000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            33150
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.918
_diffrn_reflns_theta_min         4.112
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    9.968
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.35a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_description       block
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.268
_refine_diff_density_min         -1.263
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         10343
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0415P)²+5.2539P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0745
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9502
_reflns_number_total             10343
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01730j2.cif
_cod_data_source_block           compound10
_cod_depositor_comments
'Adding full bibliography for 7710605--7710617.cif.'
_cod_database_code               7710607
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         C1H1N1U1Si1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.503
_shelx_estimated_absorpt_t_min   0.436
_diffrn_oxdiff_digest_frames
;
0128faa555f9391e24d1279570f7486ada018929907
;
_diffrn_oxdiff_digest_hkl
;
01c5d0bb6f4295e5973bc9aa264b93db4fcba5
;
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C26(H26), C32(H32)
2.b Secondary CH2 refined with riding coordinates:
 C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,
 H31B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B),
 C37(H37A,H37B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C13(H13), C15(H15), C16(H16), C41(H41), C42(H42),
 C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51)
2.d Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C11(H11A,H11B,H11C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C),
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,
 H22C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.377
_oxdiff_exptl_absorpt_empirical_full_min 0.771
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.85723(14) 0.2137(3) 0.49717(16) 0.0219(6) Uani 1 1 d . . . . .
C2 C 0.87202(15) 0.1663(3) 0.43650(16) 0.0197(6) Uani 1 1 d . . . . .
H2 H 0.8581 0.0953 0.4214 0.024 Uiso 1 1 calc R . . . .
C3 C 0.91139(14) 0.2427(3) 0.40142(16) 0.0216(6) Uani 1 1 d . . . . .
C4 C 0.92096(15) 0.3389(3) 0.44284(16) 0.0200(6) Uani 1 1 d . . . . .
H4 H 0.9452 0.4028 0.4335 0.024 Uiso 1 1 calc R . . . .
C5 C 0.88798(15) 0.3223(3) 0.50034(16) 0.0219(6) Uani 1 1 d . . . . .
H5 H 0.8865 0.3738 0.5347 0.026 Uiso 1 1 calc R . . . .
C6 C 0.83482(19) -0.0274(3) 0.54496(19) 0.0332(8) Uani 1 1 d . . . . .
H6A H 0.8055 -0.0478 0.5114 0.050 Uiso 1 1 calc GR . . . .
H6B H 0.8276 -0.0739 0.5824 0.050 Uiso 1 1 calc GR . . . .
H6C H 0.8763 -0.0404 0.5302 0.050 Uiso 1 1 calc GR . . . .
C7 C 0.87665(19) 0.1621(3) 0.63732(19) 0.0308(8) Uani 1 1 d . . . . .
H7A H 0.9192 0.1470 0.6268 0.046 Uiso 1 1 calc GR . . . .
H7B H 0.8651 0.1151 0.6733 0.046 Uiso 1 1 calc GR . . . .
H7C H 0.8721 0.2419 0.6485 0.046 Uiso 1 1 calc GR . . . .
C8 C 0.74282(18) 0.1526(3) 0.5886(2) 0.0343(9) Uani 1 1 d . . . . .
H8A H 0.7381 0.2300 0.6040 0.051 Uiso 1 1 calc GR . . . .
H8B H 0.7316 0.0995 0.6219 0.051 Uiso 1 1 calc GR . . . .
H8C H 0.7162 0.1411 0.5514 0.051 Uiso 1 1 calc GR . . . .
C9 C 0.90565(18) 0.1158(4) 0.27200(18) 0.0334(8) Uani 1 1 d . . . . .
H9A H 0.8875 0.0512 0.2937 0.050 Uiso 1 1 calc GR . . . .
H9B H 0.9298 0.0888 0.2366 0.050 Uiso 1 1 calc GR . . . .
H9C H 0.8732 0.1656 0.2560 0.050 Uiso 1 1 calc GR . . . .
C10 C 0.99677(19) 0.3196(4) 0.2897(2) 0.0392(9) Uani 1 1 d . . . . .
H10A H 0.9669 0.3633 0.2650 0.059 Uiso 1 1 calc GR . . . .
H10B H 1.0280 0.2903 0.2616 0.059 Uiso 1 1 calc GR . . . .
H10C H 1.0159 0.3681 0.3219 0.059 Uiso 1 1 calc GR . . . .
C11 C 1.0188(2) 0.0967(4) 0.3603(2) 0.0452(11) Uani 1 1 d . . . . .
H11A H 1.0470 0.1378 0.3884 0.068 Uiso 1 1 calc GR . . . .
H11B H 1.0412 0.0662 0.3244 0.068 Uiso 1 1 calc GR . . . .
H11C H 1.0000 0.0347 0.3836 0.068 Uiso 1 1 calc GR . . . .
C12 C 0.74524(14) 0.5155(3) 0.32721(15) 0.0204(6) Uani 1 1 d . . . . .
C13 C 0.77596(14) 0.5794(3) 0.37665(15) 0.0202(6) Uani 1 1 d . . . . .
H13 H 0.7560 0.6226 0.4079 0.024 Uiso 1 1 calc R . . . .
C14 C 0.84180(14) 0.5680(3) 0.37181(16) 0.0211(6) Uani 1 1 d . . . . .
C15 C 0.85123(15) 0.4958(3) 0.31767(16) 0.0217(6) Uani 1 1 d . . . . .
H15 H 0.8897 0.4732 0.3024 0.026 Uiso 1 1 calc R . . . .
C16 C 0.79288(15) 0.4637(3) 0.29049(16) 0.0212(6) Uani 1 1 d . . . . .
H16 H 0.7867 0.4165 0.2546 0.025 Uiso 1 1 calc R . . . .
C17 C 0.61444(19) 0.5708(5) 0.3733(2) 0.0477(11) Uani 1 1 d . . . . .
H17A H 0.6198 0.5153 0.4073 0.071 Uiso 1 1 calc GR . . . .
H17B H 0.5713 0.5750 0.3607 0.071 Uiso 1 1 calc GR . . . .
H17C H 0.6282 0.6449 0.3882 0.071 Uiso 1 1 calc GR . . . .
C18 C 0.62997(19) 0.3895(4) 0.2692(2) 0.0404(10) Uani 1 1 d . . . . .
H18A H 0.6572 0.3619 0.2363 0.061 Uiso 1 1 calc GR . . . .
H18B H 0.5893 0.4023 0.2507 0.061 Uiso 1 1 calc GR . . . .
H18C H 0.6275 0.3333 0.3030 0.061 Uiso 1 1 calc GR . . . .
C19 C 0.6555(2) 0.6393(4) 0.2385(3) 0.0427(11) Uani 1 1 d . . . . .
H19A H 0.6701 0.7115 0.2555 0.064 Uiso 1 1 calc GR . . . .
H19B H 0.6130 0.6472 0.2242 0.064 Uiso 1 1 calc GR . . . .
H19C H 0.6806 0.6170 0.2027 0.064 Uiso 1 1 calc GR . . . .
C20 C 0.8819(2) 0.8137(4) 0.3890(2) 0.0385(9) Uani 1 1 d . . . . .
H20A H 0.8790 0.8207 0.3429 0.058 Uiso 1 1 calc GR . . . .
H20B H 0.9135 0.8648 0.4055 0.058 Uiso 1 1 calc GR . . . .
H20C H 0.8426 0.8336 0.4073 0.058 Uiso 1 1 calc GR . . . .
C21 C 0.97998(17) 0.6293(3) 0.37549(19) 0.0287(8) Uani 1 1 d . . . . .
H21A H 0.9933 0.5540 0.3888 0.043 Uiso 1 1 calc GR . . . .
H21B H 1.0098 0.6855 0.3902 0.043 Uiso 1 1 calc GR . . . .
H21C H 0.9765 0.6320 0.3292 0.043 Uiso 1 1 calc GR . . . .
C22 C 0.90770(18) 0.6503(3) 0.50110(19) 0.0292(8) Uani 1 1 d . . . . .
H22A H 0.8676 0.6651 0.5190 0.044 Uiso 1 1 calc GR . . . .
H22B H 0.9371 0.7057 0.5175 0.044 Uiso 1 1 calc GR . . . .
H22C H 0.9211 0.5742 0.5130 0.044 Uiso 1 1 calc GR . . . .
C23 C 0.65981(14) 0.2842(3) 0.45836(15) 0.0194(6) Uani 1 1 d . . . . .
C24 C 0.67953(15) 0.3762(3) 0.50513(16) 0.0209(6) Uani 1 1 d . . . . .
C25 C 0.73621(14) 0.4273(3) 0.49876(16) 0.0205(6) Uani 1 1 d . . . . .
C26 C 0.69722(15) 0.1580(3) 0.37276(16) 0.0199(7) Uani 1 1 d . . . . .
H26 H 0.6545 0.1645 0.3559 0.024 Uiso 1 1 calc R . . . .
C27 C 0.74169(15) 0.1688(3) 0.31626(16) 0.0205(6) Uani 1 1 d . . . . .
H27A H 0.7354 0.2425 0.2951 0.025 Uiso 1 1 calc R . . . .
H27B H 0.7843 0.1659 0.3324 0.025 Uiso 1 1 calc R . . . .
C28 C 0.73102(15) 0.0722(3) 0.26755(16) 0.0238(7) Uani 1 1 d . . . . .
H28A H 0.6897 0.0796 0.2485 0.029 Uiso 1 1 calc R . . . .
H28B H 0.7609 0.0792 0.2332 0.029 Uiso 1 1 calc R . . . .
C29 C 0.73757(17) -0.0458(3) 0.29884(18) 0.0281(7) Uani 1 1 d . . . . .
H29A H 0.7805 -0.0574 0.3126 0.034 Uiso 1 1 calc R . . . .
H29B H 0.7271 -0.1048 0.2673 0.034 Uiso 1 1 calc R . . . .
C30 C 0.69557(17) -0.0584(3) 0.35674(18) 0.0290(7) Uani 1 1 d . . . . .
H30A H 0.7045 -0.1310 0.3782 0.035 Uiso 1 1 calc R . . . .
H30B H 0.6525 -0.0599 0.3419 0.035 Uiso 1 1 calc R . . . .
C31 C 0.70478(16) 0.0407(3) 0.40513(17) 0.0240(7) Uani 1 1 d . . . . .
H31A H 0.6747 0.0334 0.4392 0.029 Uiso 1 1 calc R . . . .
H31B H 0.7460 0.0353 0.4247 0.029 Uiso 1 1 calc R . . . .
C32 C 0.54973(14) 0.2593(3) 0.48229(16) 0.0228(7) Uani 1 1 d . . . . .
H32 H 0.5539 0.3311 0.5069 0.027 Uiso 1 1 calc R . . . .
C33 C 0.49801(15) 0.2703(4) 0.43084(17) 0.0291(8) Uani 1 1 d . . . . .
H33A H 0.5064 0.3362 0.4036 0.035 Uiso 1 1 calc R . . . .
H33B H 0.4977 0.2021 0.4038 0.035 Uiso 1 1 calc R . . . .
C34 C 0.43424(15) 0.2849(3) 0.46122(18) 0.0292(8) Uani 1 1 d . . . . .
H34A H 0.4335 0.3558 0.4860 0.035 Uiso 1 1 calc R . . . .
H34B H 0.4025 0.2899 0.4275 0.035 Uiso 1 1 calc R . . . .
C35 C 0.42042(16) 0.1837(3) 0.50513(19) 0.0305(8) Uani 1 1 d . . . . .
H35A H 0.3808 0.1960 0.5256 0.037 Uiso 1 1 calc R . . . .
H35B H 0.4173 0.1139 0.4796 0.037 Uiso 1 1 calc R . . . .
C36 C 0.47098(18) 0.1694(4) 0.5566(2) 0.0390(10) Uani 1 1 d . . . . .
H36A H 0.4625 0.1010 0.5818 0.047 Uiso 1 1 calc R . . . .
H36B H 0.4704 0.2352 0.5855 0.047 Uiso 1 1 calc R . . . .
C37 C 0.53566(18) 0.1590(3) 0.5274(2) 0.0324(9) Uani 1 1 d . . . . .
H37A H 0.5668 0.1568 0.5619 0.039 Uiso 1 1 calc R . . . .
H37B H 0.5382 0.0873 0.5035 0.039 Uiso 1 1 calc R . . . .
C38 C 0.64169(14) 0.4012(3) 0.56017(16) 0.0213(6) Uani 1 1 d . . . . .
C39 C 0.61566(15) 0.4243(3) 0.60923(16) 0.0233(7) Uani 1 1 d . . . . .
C40 C 0.58385(14) 0.4439(3) 0.66830(15) 0.0201(6) Uani 1 1 d . . . . .
C41 C 0.55561(16) 0.3518(3) 0.69951(18) 0.0238(7) Uani 1 1 d . . . . .
H41 H 0.5560 0.2791 0.6807 0.029 Uiso 1 1 calc R . . . .
C42 C 0.52697(16) 0.3677(3) 0.75837(17) 0.0266(7) Uani 1 1 d . . . . .
H42 H 0.5087 0.3055 0.7791 0.032 Uiso 1 1 calc R . . . .
C43 C 0.52553(16) 0.4751(3) 0.78609(16) 0.0287(8) Uani 1 1 d . . . . .
H43 H 0.5061 0.4856 0.8254 0.034 Uiso 1 1 calc R . . . .
C44 C 0.55307(17) 0.5682(3) 0.75559(17) 0.0287(7) Uani 1 1 d . . . . .
H44 H 0.5520 0.6408 0.7745 0.034 Uiso 1 1 calc R . . . .
C45 C 0.58217(16) 0.5527(3) 0.69681(16) 0.0246(7) Uani 1 1 d . . . . .
H45 H 0.6006 0.6151 0.6765 0.030 Uiso 1 1 calc R . . . .
C46 C 0.75310(14) 0.5194(3) 0.54625(16) 0.0214(6) Uani 1 1 d . . . . .
C47 C 0.72784(16) 0.6295(3) 0.54052(17) 0.0239(7) Uani 1 1 d . . . . .
H47 H 0.7004 0.6457 0.5065 0.029 Uiso 1 1 calc R . . . .
C48 C 0.74296(16) 0.7158(3) 0.58478(18) 0.0285(7) Uani 1 1 d . . . . .
H48 H 0.7255 0.7886 0.5801 0.034 Uiso 1 1 calc R . . . .
C49 C 0.78393(17) 0.6940(3) 0.63585(18) 0.0306(8) Uani 1 1 d . . . . .
H49 H 0.7943 0.7519 0.6651 0.037 Uiso 1 1 calc R . . . .
C50 C 0.80943(16) 0.5843(3) 0.64275(16) 0.0274(7) Uani 1 1 d . . . . .
H50 H 0.8367 0.5684 0.6770 0.033 Uiso 1 1 calc R . . . .
C51 C 0.79402(15) 0.4986(3) 0.59835(16) 0.0244(7) Uani 1 1 d . . . . .
H51 H 0.8113 0.4256 0.6034 0.029 Uiso 1 1 calc R . . . .
N1 N 0.70894(12) 0.2542(2) 0.41772(13) 0.0199(5) Uani 1 1 d . . . . .
N2 N 0.60751(12) 0.2335(3) 0.44909(14) 0.0239(6) Uani 1 1 d . . . . .
Si1 Si 0.82521(4) 0.12803(8) 0.56612(5) 0.02321(19) Uani 1 1 d . . . . .
Si2 Si 0.95692(4) 0.19689(8) 0.32987(4) 0.02297(18) Uani 1 1 d . . . . .
Si3 Si 0.66088(4) 0.52681(8) 0.30281(4) 0.02229(18) Uani 1 1 d . . . . .
Si4 Si 0.90228(4) 0.66174(8) 0.41119(5) 0.02212(18) Uani 1 1 d . . . . .
U1 U 0.79639(2) 0.35263(2) 0.40753(2) 0.01595(5) 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -4.3638 13.4090 '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
_geom_angle_publ_flag
C2 C1 C5 105.9(3) . . ?
C2 C1 Si1 124.1(3) . . ?
C2 C1 U1 75.05(19) . . ?
C5 C1 Si1 127.5(3) . . ?
C5 C1 U1 74.23(19) . . ?
Si1 C1 U1 129.92(15) . . ?
C1 C2 H2 124.6 . . ?
C1 C2 C3 110.8(3) . . ?
C1 C2 U1 75.36(19) . . ?
C3 C2 H2 124.6 . . ?
C3 C2 U1 75.90(18) . . ?
U1 C2 H2 115.9 . . ?
C2 C3 Si2 123.3(3) . . ?
C2 C3 U1 74.18(18) . . ?
C4 C3 C2 105.1(3) . . ?
C4 C3 Si2 129.1(2) . . ?
C4 C3 U1 74.43(18) . . ?
Si2 C3 U1 130.15(15) . . ?
C3 C4 H4 125.3 . . ?
C3 C4 U1 75.95(18) . . ?
C5 C4 C3 109.5(3) . . ?
C5 C4 H4 125.3 . . ?
C5 C4 U1 74.42(19) . . ?
U1 C4 H4 116.3 . . ?
C1 C5 H5 125.6 . . ?
C1 C5 U1 75.84(19) . . ?
C4 C5 C1 108.8(3) . . ?
C4 C5 H5 125.6 . . ?
C4 C5 U1 75.96(19) . . ?
U1 C5 H5 114.7 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
C13 C12 C16 106.1(3) . . ?
C13 C12 Si3 126.3(2) . . ?
C13 C12 U1 75.27(18) . . ?
C16 C12 Si3 126.0(2) . . ?
C16 C12 U1 75.33(19) . . ?
Si3 C12 U1 125.93(15) . . ?
C12 C13 H13 124.7 . . ?
C12 C13 C14 110.5(3) . . ?
C12 C13 U1 74.75(19) . . ?
C14 C13 H13 124.7 . . ?
C14 C13 U1 76.85(18) . . ?
U1 C13 H13 115.5 . . ?
C13 C14 Si4 126.7(3) . . ?
C13 C14 U1 73.26(18) . . ?
C15 C14 C13 105.5(3) . . ?
C15 C14 Si4 125.5(2) . . ?
C15 C14 U1 74.70(18) . . ?
Si4 C14 U1 130.54(15) . . ?
C14 C15 H15 125.3 . . ?
C14 C15 U1 75.79(18) . . ?
C16 C15 C14 109.4(3) . . ?
C16 C15 H15 125.3 . . ?
C16 C15 U1 73.97(19) . . ?
U1 C15 H15 116.8 . . ?
C12 C16 H16 125.7 . . ?
C12 C16 U1 74.62(18) . . ?
C15 C16 C12 108.5(3) . . ?
C15 C16 H16 125.7 . . ?
C15 C16 U1 76.31(19) . . ?
U1 C16 H16 115.4 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si3 C18 H18A 109.5 . . ?
Si3 C18 H18B 109.5 . . ?
Si3 C18 H18C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si3 C19 H19A 109.5 . . ?
Si3 C19 H19B 109.5 . . ?
Si3 C19 H19C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si4 C20 H20A 109.5 . . ?
Si4 C20 H20B 109.5 . . ?
Si4 C20 H20C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C21 H21A 109.5 . . ?
Si4 C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
N1 C23 C24 110.9(3) . . ?
N2 C23 C24 131.5(3) . . ?
N2 C23 N1 117.6(3) . . ?
C25 C24 C23 119.4(3) . . ?
C25 C24 C38 120.5(3) . . ?
C38 C24 C23 119.8(3) . . ?
C24 C25 C46 117.1(3) . . ?
C24 C25 U1 113.8(2) . . ?
C46 C25 U1 129.2(2) . . ?
C27 C26 H26 108.4 . . ?
C31 C26 H26 108.4 . . ?
C31 C26 C27 110.2(3) . . ?
N1 C26 H26 108.4 . . ?
N1 C26 C27 108.7(3) . . ?
N1 C26 C31 112.6(3) . . ?
C26 C27 H27A 109.4 . . ?
C26 C27 H27B 109.4 . . ?
H27A C27 H27B 108.0 . . ?
C28 C27 C26 111.0(3) . . ?
C28 C27 H27A 109.4 . . ?
C28 C27 H27B 109.4 . . ?
C27 C28 H28A 109.3 . . ?
C27 C28 H28B 109.3 . . ?
H28A C28 H28B 107.9 . . ?
C29 C28 C27 111.7(3) . . ?
C29 C28 H28A 109.3 . . ?
C29 C28 H28B 109.3 . . ?
C28 C29 H29A 109.3 . . ?
C28 C29 H29B 109.3 . . ?
C28 C29 C30 111.8(3) . . ?
H29A C29 H29B 107.9 . . ?
C30 C29 H29A 109.3 . . ?
C30 C29 H29B 109.3 . . ?
C29 C30 H30A 109.3 . . ?
C29 C30 H30B 109.3 . . ?
C29 C30 C31 111.8(3) . . ?
H30A C30 H30B 107.9 . . ?
C31 C30 H30A 109.3 . . ?
C31 C30 H30B 109.3 . . ?
C26 C31 C30 111.8(3) . . ?
C26 C31 H31A 109.3 . . ?
C26 C31 H31B 109.3 . . ?
C30 C31 H31A 109.3 . . ?
C30 C31 H31B 109.3 . . ?
H31A C31 H31B 107.9 . . ?
C33 C32 H32 110.4 . . ?
C37 C32 H32 110.4 . . ?
C37 C32 C33 109.9(3) . . ?
N2 C32 H32 110.4 . . ?
N2 C32 C33 107.6(3) . . ?
N2 C32 C37 108.1(3) . . ?
C32 C33 H33A 109.3 . . ?
C32 C33 H33B 109.3 . . ?
H33A C33 H33B 108.0 . . ?
C34 C33 C32 111.6(3) . . ?
C34 C33 H33A 109.3 . . ?
C34 C33 H33B 109.3 . . ?
C33 C34 H34A 109.6 . . ?
C33 C34 H34B 109.6 . . ?
H34A C34 H34B 108.1 . . ?
C35 C34 C33 110.4(3) . . ?
C35 C34 H34A 109.6 . . ?
C35 C34 H34B 109.6 . . ?
C34 C35 H35A 109.4 . . ?
C34 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C36 C35 C34 111.1(3) . . ?
C36 C35 H35A 109.4 . . ?
C36 C35 H35B 109.4 . . ?
C35 C36 H36A 109.2 . . ?
C35 C36 H36B 109.2 . . ?
C35 C36 C37 112.0(3) . . ?
H36A C36 H36B 107.9 . . ?
C37 C36 H36A 109.2 . . ?
C37 C36 H36B 109.2 . . ?
C32 C37 C36 111.9(3) . . ?
C32 C37 H37A 109.2 . . ?
C32 C37 H37B 109.2 . . ?
C36 C37 H37A 109.2 . . ?
C36 C37 H37B 109.2 . . ?
H37A C37 H37B 107.9 . . ?
C39 C38 C24 173.5(4) . . ?
C38 C39 C40 176.2(4) . . ?
C41 C40 C39 119.6(3) . . ?
C41 C40 C45 118.9(3) . . ?
C45 C40 C39 121.5(3) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 C40 120.6(3) . . ?
C42 C41 H41 119.7 . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.1(3) . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 119.9 . . ?
C42 C43 C44 120.2(3) . . ?
C44 C43 H43 119.9 . . ?
C43 C44 H44 120.0 . . ?
C43 C44 C45 120.0(3) . . ?
C45 C44 H44 120.0 . . ?
C40 C45 H45 119.9 . . ?
C44 C45 C40 120.2(3) . . ?
C44 C45 H45 119.9 . . ?
C47 C46 C25 120.8(3) . . ?
C47 C46 C51 117.6(3) . . ?
C51 C46 C25 121.7(3) . . ?
C46 C47 H47 119.4 . . ?
C48 C47 C46 121.2(3) . . ?
C48 C47 H47 119.4 . . ?
C47 C48 H48 119.7 . . ?
C49 C48 C47 120.5(3) . . ?
C49 C48 H48 119.7 . . ?
C48 C49 H49 120.4 . . ?
C48 C49 C50 119.2(3) . . ?
C50 C49 H49 120.4 . . ?
C49 C50 H50 120.1 . . ?
C51 C50 C49 119.9(3) . . ?
C51 C50 H50 120.1 . . ?
C46 C51 H51 119.2 . . ?
C50 C51 C46 121.6(3) . . ?
C50 C51 H51 119.2 . . ?
C23 N1 C26 116.4(3) . . ?
C23 N1 U1 125.3(2) . . ?
C26 N1 U1 117.82(19) . . ?
C23 N2 C32 125.9(3) . . ?
C6 Si1 C1 106.79(17) . . ?
C7 Si1 C1 105.49(16) . . ?
C7 Si1 C6 108.85(18) . . ?
C8 Si1 C1 118.15(16) . . ?
C8 Si1 C6 108.44(19) . . ?
C8 Si1 C7 108.8(2) . . ?
C9 Si2 C3 109.91(16) . . ?
C10 Si2 C3 112.81(17) . . ?
C10 Si2 C9 111.7(2) . . ?
C10 Si2 C11 107.2(2) . . ?
C11 Si2 C3 106.90(18) . . ?
C11 Si2 C9 108.1(2) . . ?
C17 Si3 C12 109.82(17) . . ?
C17 Si3 C18 109.7(2) . . ?
C17 Si3 C19 109.9(2) . . ?
C18 Si3 C12 112.21(17) . . ?
C18 Si3 C19 108.4(2) . . ?
C19 Si3 C12 106.71(17) . . ?
C14 Si4 C20 106.47(17) . . ?
C14 Si4 C21 109.15(16) . . ?
C20 Si4 C21 107.36(19) . . ?
C22 Si4 C14 115.02(16) . . ?
C22 Si4 C20 108.73(19) . . ?
C22 Si4 C21 109.80(18) . . ?
C1 U1 C3 49.87(9) . . ?
C1 U1 C14 122.45(10) . . ?
C1 U1 C15 126.67(9) . . ?
C2 U1 C1 29.58(10) . . ?
C2 U1 C3 29.91(10) . . ?
C2 U1 C4 48.33(9) . . ?
C2 U1 C14 123.45(9) . . ?
C2 U1 C15 111.01(10) . . ?
C3 U1 C14 94.76(9) . . ?
C4 U1 C1 49.20(9) . . ?
C4 U1 C3 29.62(10) . . ?
C4 U1 C14 77.29(9) . . ?
C4 U1 C15 77.90(10) . . ?
C5 U1 C1 29.93(10) . . ?
C5 U1 C2 48.49(10) . . ?
C5 U1 C3 49.34(10) . . ?
C5 U1 C4 29.62(10) . . ?
C5 U1 C14 92.89(10) . . ?
C5 U1 C15 103.75(10) . . ?
C12 U1 C1 171.78(10) . . ?
C12 U1 C2 154.26(10) . . ?
C12 U1 C3 129.47(9) . . ?
C12 U1 C4 125.21(9) . . ?
C12 U1 C5 142.02(10) . . ?
C12 U1 C13 29.98(9) . . ?
C12 U1 C14 50.04(9) . . ?
C12 U1 C15 49.39(9) . . ?
C12 U1 C16 30.05(9) . . ?
C13 U1 C1 141.91(10) . . ?
C13 U1 C2 153.17(9) . . ?
C13 U1 C3 124.54(9) . . ?
C13 U1 C4 105.48(9) . . ?
C13 U1 C5 113.30(10) . . ?
C13 U1 C14 29.89(9) . . ?
C13 U1 C15 48.45(9) . . ?
C13 U1 C16 48.83(9) . . ?
C15 U1 C3 81.68(9) . . ?
C15 U1 C14 29.51(10) . . ?
C16 U1 C1 150.49(9) . . ?
C16 U1 C2 124.42(10) . . ?
C16 U1 C3 100.64(9) . . ?
C16 U1 C4 105.71(10) . . ?
C16 U1 C5 133.24(10) . . ?
C16 U1 C14 49.36(9) . . ?
C16 U1 C15 29.72(9) . . ?
C25 U1 C1 86.52(10) . . ?
C25 U1 C2 115.06(10) . . ?
C25 U1 C3 132.38(10) . . ?
C25 U1 C4 109.68(10) . . ?
C25 U1 C5 83.62(10) . . ?
C25 U1 C12 90.69(10) . . ?
C25 U1 C13 75.95(10) . . ?
C25 U1 C14 94.55(10) . . ?
C25 U1 C15 122.58(10) . . ?
C25 U1 C16 120.33(10) . . ?
N1 U1 C1 91.54(10) . . ?
N1 U1 C2 94.18(10) . . ?
N1 U1 C3 121.60(10) . . ?
N1 U1 C4 139.86(10) . . ?
N1 U1 C5 117.78(10) . . ?
N1 U1 C12 94.72(10) . . ?
N1 U1 C13 112.65(10) . . ?
N1 U1 C14 142.20(10) . . ?
N1 U1 C15 138.21(10) . . ?
N1 U1 C16 108.50(10) . . ?
N1 U1 C25 69.50(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.413(5) . ?
C1 C5 1.425(5) . ?
C1 Si1 1.881(3) . ?
C1 U1 2.770(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.433(5) . ?
C2 U1 2.766(3) . ?
C3 C4 1.420(5) . ?
C3 Si2 1.869(3) . ?
C3 U1 2.788(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.411(5) . ?
C4 U1 2.769(3) . ?
C5 H5 0.9300 . ?
C5 U1 2.749(3) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C6 Si1 1.870(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 Si1 1.869(4) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 Si1 1.862(4) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 Si2 1.868(4) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 Si2 1.866(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11 Si2 1.868(4) . ?
C12 C13 1.417(4) . ?
C12 C16 1.421(4) . ?
C12 Si3 1.879(3) . ?
C12 U1 2.736(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.427(4) . ?
C13 U1 2.743(3) . ?
C14 C15 1.417(5) . ?
C14 Si4 1.872(3) . ?
C14 U1 2.789(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.416(4) . ?
C15 U1 2.775(3) . ?
C16 H16 0.9300 . ?
C16 U1 2.745(3) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 Si3 1.855(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18 Si3 1.858(4) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C19 Si3 1.867(4) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C20 Si4 1.874(4) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21 Si4 1.878(4) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C22 Si4 1.868(4) . ?
C23 C24 1.497(5) . ?
C23 N1 1.407(4) . ?
C23 N2 1.281(4) . ?
C24 C25 1.365(5) . ?
C24 C38 1.442(4) . ?
C25 C46 1.493(5) . ?
C25 U1 2.467(3) . ?
C26 H26 0.9800 . ?
C26 C27 1.530(5) . ?
C26 C31 1.526(5) . ?
C26 N1 1.473(4) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C28 1.523(4) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.521(5) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.522(5) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.536(5) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32 0.9800 . ?
C32 C33 1.531(5) . ?
C32 C37 1.526(5) . ?
C32 N2 1.462(4) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C34 1.529(5) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C35 1.518(5) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.518(6) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C37 1.532(5) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C39 1.199(5) . ?
C39 C40 1.431(4) . ?
C40 C41 1.394(5) . ?
C40 C45 1.396(5) . ?
C41 H41 0.9300 . ?
C41 C42 1.388(5) . ?
C42 H42 0.9300 . ?
C42 C43 1.374(5) . ?
C43 H43 0.9300 . ?
C43 C44 1.390(5) . ?
C44 H44 0.9300 . ?
C44 C45 1.391(5) . ?
C45 H45 0.9300 . ?
C46 C47 1.393(5) . ?
C46 C51 1.400(5) . ?
C47 H47 0.9300 . ?
C47 C48 1.392(5) . ?
C48 H48 0.9300 . ?
C48 C49 1.387(6) . ?
C49 H49 0.9300 . ?
C49 C50 1.393(6) . ?
C50 H50 0.9300 . ?
C50 C51 1.391(5) . ?
C51 H51 0.9300 . ?
N1 U1 2.214(2) . ?
