#------------------------------------------------------------------------------
#$Date: 2022-08-06 14:48:12 +0300 (Sat, 06 Aug 2022) $
#$Revision: 277109 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/06/7710606.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_7710606
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         'C52 H62 Cl2 O2 Si4 U, C3 H3'
_chemical_formula_sum            'C55 H65 Cl2 O2 Si4 U'
_chemical_formula_weight         1179.36
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -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                105.428(2)
_cell_angle_beta                 93.616(2)
_cell_angle_gamma                111.738(2)
_cell_formula_units_Z            2
_cell_length_a                   11.9819(3)
_cell_length_b                   12.0057(3)
_cell_length_c                   21.4026(4)
_cell_measurement_reflns_used    25104
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.6400
_cell_measurement_theta_min      2.2050
_cell_volume                     2711.53(12)
_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      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -53.00  26.00   0.50    0.11    --  -47.70  37.00 -30.00  158
  2  ω    -69.00 -36.00   0.50    0.45    -- -102.00  98.00 -57.00   66
  3  ω    -70.00   2.00   0.50    0.11    --  -47.70  98.00 -57.00  144
  4  ω    -58.00  27.00   0.50    0.11    --  -47.70  19.00-120.00  170
  5  ω    -17.00  80.00   0.50    0.11    --   47.70 -98.00-164.00  194
  6  ω     47.00  73.00   0.50    0.45    --  104.75 -98.00-164.00   52
  7  ω     56.00 103.00   0.50    0.45    --  104.75 -94.00-150.00   94
  8  ω     34.00 118.00   0.50    0.45    --  104.75 -61.00-180.00  168
  9  ω     40.00  90.00   0.50    0.11    --   47.70  37.00-120.00  100
 10  ω     88.00 156.00   0.50    0.45    --  104.75  98.00 -57.00  136
 11  ω     99.00 125.00   0.50    0.45    --  104.75  45.00-150.00   52
 12  ω     83.00 164.00   0.50    0.45    --  104.75  77.00 -90.00  162
 13  ω     91.00 116.00   0.50    0.45    --  104.75 -45.00  60.00   50
 14  ω     89.00 127.00   0.50    0.45    --  104.75 -77.00  60.00   76
 15  ω     74.00 116.00   0.50    0.45    --  104.75-125.00  60.00   84
 16  ω     62.00  95.00   0.50    0.11    --   47.70-125.00  60.00   66
 17  ω     61.00 107.00   0.50    0.45    --  104.75 -94.00 120.00   92
 18  ω     47.00  73.00   0.50    0.45    --  104.75 -45.00  60.00   52
 19  ω     33.00  76.00   0.50    0.45    --  104.75 -77.00  60.00   86
 20  ω     33.00  70.00   0.50    0.45    --  104.75-125.00  60.00   74
 21  ω     35.00 110.00   0.50    0.45    --  104.75 -45.00 -30.00  150
 22  ω   -100.00 -29.00   0.50    0.45    -- -102.00  77.00 120.00  142
 23  ω   -117.00 -30.00   0.50    0.45    -- -102.00 125.00 -60.00  174
 24  ω   -112.00 -32.00   0.50    0.45    -- -102.00  15.00-180.00  160
 25  ω   -107.00 -32.00   0.50    0.45    -- -102.00 125.00-120.00  150
 26  ω   -172.00 -89.00   0.50    0.45    -- -102.00 -15.00-150.00  166
 27  ω   -138.00-102.00   0.50    0.45    -- -102.00 -98.00-164.00   72
 28  ω   -113.00 -75.00   0.50    0.11    --  -47.70-125.00 -60.00   76
 29  ω   -109.00 -74.00   0.50    0.11    --  -47.70-125.00 -30.00   70
 30  ω   -111.00 -86.00   0.50    0.11    --  -47.70-125.00  60.00   50
 31  ω   -172.00 -89.00   0.50    0.45    -- -102.00 -30.00  60.00  166
;
_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      0.1224648000
_diffrn_orient_matrix_UB_12      0.0320007000
_diffrn_orient_matrix_UB_13      -0.0248520000
_diffrn_orient_matrix_UB_21      -0.0656948000
_diffrn_orient_matrix_UB_22      -0.0997133000
_diffrn_orient_matrix_UB_23      -0.0673937000
_diffrn_orient_matrix_UB_31      -0.0221502000
_diffrn_orient_matrix_UB_32      0.1008843000
_diffrn_orient_matrix_UB_33      -0.0245704000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_unetI/netI     0.0458
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            32805
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.978
_diffrn_reflns_theta_min         2.177
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    10.470
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.35348
_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    1.444
_exptl_crystal_description       plate
_exptl_crystal_F_000             1186
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.897
_refine_diff_density_min         -2.061
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     589
_refine_ls_number_reflns         10799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0603P)²+4.4087P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0997
_refine_ls_wR_factor_ref         0.1025
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10193
_reflns_number_total             10799
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01730j2.cif
_cod_data_source_block           compound13
_cod_depositor_comments
'Adding full bibliography for 7710605--7710617.cif.'
_cod_database_code               7710606
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         C1H1O1Cl1Si1U1
_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   0.421
_shelx_estimated_absorpt_t_min   0.303
_diffrn_oxdiff_digest_frames
;
01ef7b2b07df65898e78ed4321e3163ad5034525407
;
_diffrn_oxdiff_digest_hkl
;
01a17baf1508130cf7ff94edd6e2a1c5b28fb5
;
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C23(H23), C28(H28)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C13(H13), C15(H15), C16(H16), C30(H30), C31(H31),
 C33(H33), C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C42(H42),
  C43(H43), C44(H44), C45(H45), C46(H46), C48(H48), C49(H49), C51(H51),
 C52(H52), C53(H53), C54(H54), C55(H55)
2.c 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 2.788
_oxdiff_exptl_absorpt_empirical_full_min 0.462
loop_
_space_group_symop_operation_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_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 0.3011(4) 0.4378(4) 0.5755(2) 0.0244(9) Uani 1 1 d . . . . .
C2 C 0.3560(4) 0.5419(5) 0.6340(2) 0.0261(9) Uani 1 1 d . . . . .
H2 H 0.3128 0.5769 0.6618 0.031 Uiso 1 1 calc R . . . .
C3 C 0.4845(4) 0.5853(4) 0.6447(2) 0.0264(9) Uani 1 1 d . . . . .
C4 C 0.5104(4) 0.5028(5) 0.5914(2) 0.0268(9) Uani 1 1 d . . . . .
H4 H 0.5876 0.5060 0.5856 0.032 Uiso 1 1 calc R . . . .
C5 C 0.4001(4) 0.4165(4) 0.5492(2) 0.0247(9) Uani 1 1 d . . . . .
H5 H 0.3929 0.3551 0.5102 0.030 Uiso 1 1 calc R . . . .
C6 C 0.1385(5) 0.3579(5) 0.4447(2) 0.0302(10) Uani 1 1 d . . . . .
H6A H 0.1825 0.4411 0.4421 0.045 Uiso 1 1 calc GR . . . .
H6B H 0.0559 0.3253 0.4218 0.045 Uiso 1 1 calc GR . . . .
H6C H 0.1771 0.3036 0.4246 0.045 Uiso 1 1 calc GR . . . .
C7 C 0.0617(5) 0.4694(5) 0.5729(2) 0.0326(10) Uani 1 1 d . . . . .
H7A H 0.0675 0.4775 0.6190 0.049 Uiso 1 1 calc GR . . . .
H7B H -0.0227 0.4328 0.5524 0.049 Uiso 1 1 calc GR . . . .
H7C H 0.1011 0.5512 0.5677 0.049 Uiso 1 1 calc GR . . . .
C8 C 0.0506(5) 0.2013(5) 0.5352(3) 0.0382(12) Uani 1 1 d . . . . .
H8A H 0.0854 0.1461 0.5116 0.057 Uiso 1 1 calc GR . . . .
H8B H -0.0330 0.1727 0.5149 0.057 Uiso 1 1 calc GR . . . .
H8C H 0.0544 0.2011 0.5801 0.057 Uiso 1 1 calc GR . . . .
C9 C 0.6464(5) 0.8379(5) 0.6384(3) 0.0368(11) Uani 1 1 d . . . . .
H9A H 0.6722 0.7928 0.6022 0.055 Uiso 1 1 calc GR . . . .
H9B H 0.7124 0.9176 0.6613 0.055 Uiso 1 1 calc GR . . . .
H9C H 0.5779 0.8521 0.6222 0.055 Uiso 1 1 calc GR . . . .
C10 C 0.5355(5) 0.8263(5) 0.7605(2) 0.0322(10) Uani 1 1 d . . . . .
H10A H 0.4628 0.8282 0.7402 0.048 Uiso 1 1 calc GR . . . .
H10B H 0.5943 0.9110 0.7819 0.048 Uiso 1 1 calc GR . . . .
H10C H 0.5159 0.7825 0.7925 0.048 Uiso 1 1 calc GR . . . .
C11 C 0.7412(5) 0.7331(5) 0.7328(2) 0.0298(10) Uani 1 1 d . . . . .
H11A H 0.7212 0.6859 0.7633 0.045 Uiso 1 1 calc GR . . . .
H11B H 0.8012 0.8167 0.7555 0.045 Uiso 1 1 calc GR . . . .
H11C H 0.7734 0.6918 0.6983 0.045 Uiso 1 1 calc GR . . . .
C12 C 0.4961(4) 0.1822(4) 0.6014(2) 0.0252(9) Uani 1 1 d . . . . .
C13 C 0.4521(4) 0.1398(4) 0.6546(2) 0.0254(9) Uani 1 1 d . . . . .
H13 H 0.5019 0.1456 0.6915 0.031 Uiso 1 1 calc R . . . .
C14 C 0.3234(4) 0.0880(5) 0.6443(2) 0.0276(9) Uani 1 1 d . . . . .
C15 C 0.2848(5) 0.0948(4) 0.5812(2) 0.0285(9) Uani 1 1 d . . . . .
H15 H 0.2042 0.0671 0.5608 0.034 Uiso 1 1 calc R . . . .
C16 C 0.3895(5) 0.1505(5) 0.5553(2) 0.0295(10) Uani 1 1 d . . . . .
H16 H 0.3889 0.1643 0.5146 0.035 Uiso 1 1 calc R . . . .
C17 C 0.6587(5) 0.2676(6) 0.5051(2) 0.0375(11) Uani 1 1 d . . . . .
H17A H 0.6178 0.1869 0.4719 0.056 Uiso 1 1 calc GR . . . .
H17B H 0.7416 0.3059 0.4992 0.056 Uiso 1 1 calc GR . . . .
H17C H 0.6173 0.3210 0.5014 0.056 Uiso 1 1 calc GR . . . .
C18 C 0.7241(5) 0.1301(5) 0.5937(3) 0.0388(12) Uani 1 1 d . . . . .
H18A H 0.7185 0.1157 0.6357 0.058 Uiso 1 1 calc GR . . . .
H18B H 0.8083 0.1628 0.5890 0.058 Uiso 1 1 calc GR . . . .
H18C H 0.6797 0.0520 0.5592 0.058 Uiso 1 1 calc GR . . . .
C19 C 0.7527(5) 0.3976(5) 0.6552(2) 0.0295(10) Uani 1 1 d . . . . .
H19A H 0.7201 0.4595 0.6548 0.044 Uiso 1 1 calc GR . . . .
H19B H 0.8353 0.4277 0.6477 0.044 Uiso 1 1 calc GR . . . .
H19C H 0.7514 0.3830 0.6971 0.044 Uiso 1 1 calc GR . . . .
C20 C 0.2893(6) 0.0792(7) 0.7822(3) 0.0466(14) Uani 1 1 d . . . . .
H20A H 0.3633 0.0684 0.7918 0.070 Uiso 1 1 calc GR . . . .
H20B H 0.2319 0.0426 0.8080 0.070 Uiso 1 1 calc GR . . . .
H20C H 0.3069 0.1676 0.7929 0.070 Uiso 1 1 calc GR . . . .
C21 C 0.0654(5) -0.0093(5) 0.6732(3) 0.0374(11) Uani 1 1 d . . . . .
H21A H 0.0678 0.0744 0.6831 0.056 Uiso 1 1 calc GR . . . .
H21B H 0.0140 -0.0533 0.6990 0.056 Uiso 1 1 calc GR . . . .
H21C H 0.0334 -0.0538 0.6272 0.056 Uiso 1 1 calc GR . . . .
C22 C 0.2181(6) -0.1632(6) 0.6683(3) 0.0451(13) Uani 1 1 d . . . . .
H22A H 0.1842 -0.2038 0.6223 0.068 Uiso 1 1 calc GR . . . .
H22B H 0.1682 -0.2105 0.6935 0.068 Uiso 1 1 calc GR . . . .
H22C H 0.2994 -0.1592 0.6765 0.068 Uiso 1 1 calc GR . . . .
C23 C 0.6032(4) 0.4753(5) 0.8096(2) 0.0258(9) Uani 1 1 d . . . . .
H23 H 0.6882 0.5087 0.8032 0.031 Uiso 1 1 calc R . . . .
C24 C 0.5751(4) 0.5873(4) 0.8470(2) 0.0250(9) Uani 1 1 d . . . . .
C25 C 0.4623(5) 0.5799(4) 0.8292(2) 0.0266(9) Uani 1 1 d . . . . .
C26 C 0.3537(4) 0.5592(4) 0.8082(2) 0.0264(9) Uani 1 1 d . . . . .
C27 C 0.2379(4) 0.5298(5) 0.7839(2) 0.0253(9) Uani 1 1 d . . . . .
C28 C 0.1653(4) 0.3963(5) 0.7354(2) 0.0258(9) Uani 1 1 d . . . . .
H28 H 0.1122 0.4016 0.7006 0.031 Uiso 1 1 calc R . . . .
C29 C 0.5900(4) 0.3822(5) 0.8474(2) 0.0282(9) Uani 1 1 d . . . . .
C30 C 0.5235(5) 0.3751(5) 0.8980(2) 0.0326(10) Uani 1 1 d . . . . .
H30 H 0.4869 0.4317 0.9107 0.039 Uiso 1 1 calc R . . . .
C31 C 0.5099(5) 0.2857(6) 0.9303(3) 0.0367(12) Uani 1 1 d . . . . .
H31 H 0.4656 0.2828 0.9645 0.044 Uiso 1 1 calc R . . . .
C32 C 0.5640(5) 0.2009(5) 0.9106(3) 0.0361(11) Uani 1 1 d . . . . .
C33 C 0.6311(5) 0.2048(6) 0.8608(3) 0.0381(12) Uani 1 1 d . . . . .
H33 H 0.6672 0.1478 0.8482 0.046 Uiso 1 1 calc R . . . .
C34 C 0.6438(5) 0.2952(5) 0.8297(3) 0.0341(11) Uani 1 1 d . . . . .
H34 H 0.6894 0.2983 0.7962 0.041 Uiso 1 1 calc R . . . .
C35 C 0.6661(4) 0.6929(5) 0.8994(2) 0.0260(9) Uani 1 1 d . . . . .
C36 C 0.6456(5) 0.8017(5) 0.9290(2) 0.0296(10) Uani 1 1 d . . . . .
H36 H 0.5726 0.8060 0.9151 0.036 Uiso 1 1 calc R . . . .
C37 C 0.7323(5) 0.9018(5) 0.9783(2) 0.0333(10) Uani 1 1 d . . . . .
H37 H 0.7165 0.9722 0.9977 0.040 Uiso 1 1 calc R . . . .
C38 C 0.8424(5) 0.8990(5) 0.9993(2) 0.0321(10) Uani 1 1 d . . . . .
H38 H 0.9008 0.9677 1.0321 0.038 Uiso 1 1 calc R . . . .
C39 C 0.8654(5) 0.7925(6) 0.9711(2) 0.0350(11) Uani 1 1 d . . . . .
H39 H 0.9389 0.7896 0.9855 0.042 Uiso 1 1 calc R . . . .
C40 C 0.7785(5) 0.6907(5) 0.9215(2) 0.0314(10) Uani 1 1 d . . . . .
H40 H 0.7946 0.6202 0.9027 0.038 Uiso 1 1 calc R . . . .
C41 C 0.1772(4) 0.6175(5) 0.8035(2) 0.0286(10) Uani 1 1 d . . . . .
C42 C 0.2445(5) 0.7416(5) 0.8449(2) 0.0320(10) Uani 1 1 d . . . . .
H42 H 0.3268 0.7670 0.8613 0.038 Uiso 1 1 calc R . . . .
C43 C 0.1911(6) 0.8258(6) 0.8614(3) 0.0395(12) Uani 1 1 d . . . . .
H43 H 0.2376 0.9077 0.8885 0.047 Uiso 1 1 calc R . . . .
C44 C 0.0679(5) 0.7901(5) 0.8380(3) 0.0368(11) Uani 1 1 d . . . . .
H44 H 0.0317 0.8473 0.8496 0.044 Uiso 1 1 calc R . . . .
C45 C 0.0006(5) 0.6686(6) 0.7974(3) 0.0379(12) Uani 1 1 d . . . . .
H45 H -0.0817 0.6439 0.7813 0.045 Uiso 1 1 calc R . . . .
C46 C 0.0535(5) 0.5828(5) 0.7802(2) 0.0314(10) Uani 1 1 d . . . . .
H46 H 0.0064 0.5012 0.7528 0.038 Uiso 1 1 calc R . . . .
C47 C 0.0858(4) 0.3116(4) 0.7718(2) 0.0263(9) Uani 1 1 d . . . . .
C48 C 0.1405(5) 0.2967(5) 0.8264(2) 0.0336(11) Uani 1 1 d . . . . .
H48 H 0.2238 0.3428 0.8422 0.040 Uiso 1 1 calc R . . . .
C49 C 0.0725(5) 0.2140(5) 0.8577(3) 0.0373(11) Uani 1 1 d . . . . .
H49 H 0.1097 0.2032 0.8938 0.045 Uiso 1 1 calc R . . . .
C50 C -0.0516(5) 0.1476(5) 0.8342(2) 0.0322(10) Uani 1 1 d . . . . .
C51 C -0.1078(4) 0.1612(5) 0.7806(2) 0.0304(10) Uani 1 1 d . . . . .
H51 H -0.1913 0.1157 0.7654 0.037 Uiso 1 1 calc R . . . .
C52 C -0.0391(4) 0.2436(5) 0.7492(2) 0.0284(9) Uani 1 1 d . . . . .
H52 H -0.0768 0.2533 0.7129 0.034 Uiso 1 1 calc R . . . .
Cl1 Cl 0.54736(16) 0.08738(16) 0.95007(8) 0.0529(4) Uani 1 1 d . . . . .
Cl2 Cl -0.13687(12) 0.04426(13) 0.87430(6) 0.0405(3) Uani 1 1 d . . . . .
O1 O 0.5286(3) 0.4150(3) 0.74731(14) 0.0239(6) Uani 1 1 d . . . . .
O2 O 0.2418(3) 0.3426(3) 0.70664(15) 0.0247(6) Uani 1 1 d . . . . .
Si1 Si 0.13835(11) 0.36495(12) 0.53309(6) 0.0252(2) Uani 1 1 d . . . . .
Si2 Si 0.60078(12) 0.74292(12) 0.69636(6) 0.0260(2) Uani 1 1 d . . . . .
Si3 Si 0.65761(11) 0.24640(12) 0.58852(6) 0.0258(2) Uani 1 1 d . . . . .
Si4 Si 0.22285(12) -0.00026(13) 0.69307(7) 0.0304(3) Uani 1 1 d . . . . .
U1 U 0.39460(2) 0.34543(2) 0.66263(2) 0.02055(7) Uani 1 1 d . . . . .
C53 C 0.9107(8) 0.3811(8) 0.9760(4) 0.070(2) Uani 1 1 d . . . . .
H53 H 0.8498 0.2999 0.9593 0.084 Uiso 1 1 calc R . . . .
C54 C 0.9550(8) 0.4496(8) 0.9339(4) 0.065(2) Uani 1 1 d . . . . .
H54 H 0.9236 0.4146 0.8889 0.078 Uiso 1 1 calc R . . . .
C55 C 1.0439(7) 0.5678(8) 0.9576(3) 0.0608(18) Uani 1 1 d . . . . .
H55 H 1.0739 0.6139 0.9292 0.073 Uiso 1 1 calc R . . . .
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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 105.2(4) . . ?
C2 C1 Si1 127.5(4) . . ?
C2 C1 U1 75.0(2) . . ?
C5 C1 Si1 126.3(3) . . ?
C5 C1 U1 75.1(2) . . ?
Si1 C1 U1 123.8(2) . . ?
C1 C2 H2 124.3 . . ?
C1 C2 U1 75.4(3) . . ?
C3 C2 C1 111.4(4) . . ?
C3 C2 H2 124.3 . . ?
C3 C2 U1 77.2(3) . . ?
U1 C2 H2 114.9 . . ?
C2 C3 C4 105.2(4) . . ?
C2 C3 Si2 128.5(4) . . ?
C2 C3 U1 73.6(3) . . ?
C4 C3 Si2 123.2(4) . . ?
C4 C3 U1 73.3(3) . . ?
Si2 C3 U1 133.0(2) . . ?
C3 C4 H4 125.5 . . ?
C3 C4 U1 77.0(3) . . ?
C5 C4 C3 108.9(4) . . ?
C5 C4 H4 125.5 . . ?
C5 C4 U1 75.6(3) . . ?
U1 C4 H4 114.1 . . ?
C1 C5 H5 125.4 . . ?
C1 C5 U1 75.2(2) . . ?
C4 C5 C1 109.3(4) . . ?
C4 C5 H5 125.4 . . ?
C4 C5 U1 75.1(2) . . ?
U1 C5 H5 116.3 . . ?
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 105.1(4) . . ?
C13 C12 Si3 127.9(3) . . ?
C13 C12 U1 75.2(3) . . ?
C16 C12 Si3 126.6(4) . . ?
C16 C12 U1 76.0(3) . . ?
Si3 C12 U1 119.8(2) . . ?
C12 C13 H13 124.3 . . ?
C12 C13 U1 75.1(3) . . ?
C14 C13 C12 111.4(4) . . ?
C14 C13 H13 124.3 . . ?
C14 C13 U1 76.3(3) . . ?
U1 C13 H13 116.0 . . ?
C13 C14 C15 105.6(4) . . ?
C13 C14 Si4 127.6(4) . . ?
C13 C14 U1 74.3(3) . . ?
C15 C14 Si4 125.8(4) . . ?
C15 C14 U1 75.3(3) . . ?
Si4 C14 U1 124.6(2) . . ?
C14 C15 H15 125.7 . . ?
C14 C15 U1 75.0(3) . . ?
C16 C15 C14 108.5(4) . . ?
C16 C15 H15 125.7 . . ?
C16 C15 U1 75.1(3) . . ?
U1 C15 H15 116.2 . . ?
C12 C16 H16 125.3 . . ?
C12 C16 U1 74.2(3) . . ?
C15 C16 C12 109.4(4) . . ?
C15 C16 H16 125.3 . . ?
C15 C16 U1 75.6(3) . . ?
U1 C16 H16 116.7 . . ?
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 . . ?
C24 C23 H23 107.8 . . ?
C29 C23 H23 107.8 . . ?
C29 C23 C24 112.4(4) . . ?
O1 C23 H23 107.8 . . ?
O1 C23 C24 110.0(4) . . ?
O1 C23 C29 110.7(4) . . ?
C25 C24 C23 116.1(4) . . ?
C25 C24 C35 123.0(4) . . ?
C35 C24 C23 120.9(4) . . ?
C26 C25 C24 173.0(5) . . ?
C25 C26 C27 176.3(5) . . ?
C26 C27 C28 117.3(4) . . ?
C26 C27 C41 122.7(5) . . ?
C41 C27 C28 120.0(4) . . ?
C27 C28 H28 108.8 . . ?
C47 C28 C27 109.5(4) . . ?
C47 C28 H28 108.8 . . ?
O2 C28 C27 111.9(4) . . ?
O2 C28 H28 108.8 . . ?
O2 C28 C47 109.1(4) . . ?
C30 C29 C23 123.3(4) . . ?
C30 C29 C34 117.3(5) . . ?
C34 C29 C23 119.3(4) . . ?
C29 C30 H30 119.1 . . ?
C29 C30 C31 121.8(5) . . ?
C31 C30 H30 119.1 . . ?
C30 C31 H31 120.7 . . ?
C32 C31 C30 118.6(4) . . ?
C32 C31 H31 120.7 . . ?
C31 C32 Cl1 119.3(4) . . ?
C33 C32 C31 121.5(5) . . ?
C33 C32 Cl1 119.2(4) . . ?
C32 C33 H33 120.6 . . ?
C32 C33 C34 118.7(5) . . ?
C34 C33 H33 120.6 . . ?
C29 C34 H34 119.0 . . ?
C33 C34 C29 122.0(5) . . ?
C33 C34 H34 119.0 . . ?
C36 C35 C24 121.0(4) . . ?
C36 C35 C40 117.8(4) . . ?
C40 C35 C24 121.2(4) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 C35 120.8(5) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 H37 119.5 . . ?
C36 C37 C38 121.0(5) . . ?
C38 C37 H37 119.5 . . ?
C37 C38 H38 120.2 . . ?
C37 C38 C39 119.6(5) . . ?
C39 C38 H38 120.2 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 120.0(5) . . ?
C40 C39 H39 120.0 . . ?
C35 C40 H40 119.6 . . ?
C39 C40 C35 120.9(5) . . ?
C39 C40 H40 119.6 . . ?
C42 C41 C27 120.2(4) . . ?
C46 C41 C27 122.1(5) . . ?
C46 C41 C42 117.6(5) . . ?
C41 C42 H42 119.4 . . ?
C43 C42 C41 121.1(5) . . ?
C43 C42 H42 119.4 . . ?
C42 C43 H43 119.6 . . ?
C42 C43 C44 120.7(6) . . ?
C44 C43 H43 119.6 . . ?
C43 C44 H44 120.6 . . ?
C45 C44 C43 118.8(5) . . ?
C45 C44 H44 120.6 . . ?
C44 C45 H45 119.5 . . ?
C44 C45 C46 121.0(5) . . ?
C46 C45 H45 119.5 . . ?
C41 C46 H46 119.6 . . ?
C45 C46 C41 120.7(5) . . ?
C45 C46 H46 119.6 . . ?
C48 C47 C28 119.3(4) . . ?
C48 C47 C52 119.2(4) . . ?
C52 C47 C28 121.4(4) . . ?
C47 C48 H48 119.6 . . ?
C49 C48 C47 120.8(5) . . ?
C49 C48 H48 119.6 . . ?
C48 C49 H49 120.6 . . ?
C50 C49 C48 118.9(5) . . ?
C50 C49 H49 120.6 . . ?
C49 C50 Cl2 118.5(4) . . ?
C51 C50 C49 121.4(5) . . ?
C51 C50 Cl2 120.1(4) . . ?
C50 C51 H51 120.3 . . ?
C50 C51 C52 119.5(5) . . ?
C52 C51 H51 120.3 . . ?
C47 C52 H52 119.8 . . ?
C51 C52 C47 120.3(4) . . ?
C51 C52 H52 119.8 . . ?
C23 O1 U1 167.8(3) . . ?
C28 O2 U1 154.1(3) . . ?
C1 Si1 C6 107.2(2) . . ?
C1 Si1 C7 108.0(2) . . ?
C1 Si1 C8 114.6(2) . . ?
C6 Si1 C7 110.1(2) . . ?
C8 Si1 C6 107.7(3) . . ?
C8 Si1 C7 109.1(3) . . ?
C3 Si2 C9 105.6(2) . . ?
C10 Si2 C3 111.9(2) . . ?
C10 Si2 C9 107.6(2) . . ?
C11 Si2 C3 112.3(2) . . ?
C11 Si2 C9 107.3(2) . . ?
C11 Si2 C10 111.8(2) . . ?
C12 Si3 C17 108.9(2) . . ?
C12 Si3 C18 108.0(2) . . ?
C12 Si3 C19 111.3(2) . . ?
C17 Si3 C18 110.0(3) . . ?
C17 Si3 C19 111.7(2) . . ?
C18 Si3 C19 106.9(2) . . ?
C14 Si4 C21 109.5(2) . . ?
C14 Si4 C22 107.6(2) . . ?
C20 Si4 C14 109.0(3) . . ?
C20 Si4 C21 112.1(3) . . ?
C20 Si4 C22 109.6(3) . . ?
C21 Si4 C22 108.9(3) . . ?
C1 U1 C3 49.40(13) . . ?
C1 U1 C14 122.94(14) . . ?
C1 U1 C15 94.27(14) . . ?
C1 U1 C16 88.84(14) . . ?
C2 U1 C1 29.66(13) . . ?
C2 U1 C3 29.22(14) . . ?
C2 U1 C5 48.01(13) . . ?
C2 U1 C14 150.53(14) . . ?
C2 U1 C15 123.58(14) . . ?
C2 U1 C16 116.45(14) . . ?
C4 U1 C1 49.09(13) . . ?
C4 U1 C2 48.07(13) . . ?
C4 U1 C3 29.68(14) . . ?
C4 U1 C5 29.33(14) . . ?
C4 U1 C14 133.72(14) . . ?
C4 U1 C15 110.47(14) . . ?
C4 U1 C16 85.26(14) . . ?
C5 U1 C1 29.66(13) . . ?
C5 U1 C3 48.72(13) . . ?
C5 U1 C14 116.30(14) . . ?
C5 U1 C15 87.62(14) . . ?
C5 U1 C16 69.90(14) . . ?
C12 U1 C1 112.51(13) . . ?
C12 U1 C2 133.42(13) . . ?
C12 U1 C3 116.09(14) . . ?
C12 U1 C4 88.26(14) . . ?
C12 U1 C5 86.44(13) . . ?
C12 U1 C13 29.77(13) . . ?
C12 U1 C14 49.77(14) . . ?
C12 U1 C15 49.19(14) . . ?
C12 U1 C16 29.74(14) . . ?
C13 U1 C1 136.79(13) . . ?
C13 U1 C2 162.95(14) . . ?
C13 U1 C3 142.02(14) . . ?
C13 U1 C4 117.12(14) . . ?
C13 U1 C5 115.04(13) . . ?
C13 U1 C14 29.40(14) . . ?
C13 U1 C15 48.05(14) . . ?
C13 U1 C16 48.02(13) . . ?
C14 U1 C3 163.30(14) . . ?
C14 U1 C15 29.71(14) . . ?
C15 U1 C3 136.34(13) . . ?
C16 U1 C3 114.46(14) . . ?
C16 U1 C14 48.87(14) . . ?
C16 U1 C15 29.29(15) . . ?
O1 U1 C1 138.59(13) . . ?
O1 U1 C2 110.40(13) . . ?
O1 U1 C3 89.92(13) . . ?
O1 U1 C4 100.78(13) . . ?
O1 U1 C5 130.02(13) . . ?
O1 U1 C12 90.41(13) . . ?
O1 U1 C13 78.53(13) . . ?
O1 U1 C14 98.32(13) . . ?
O1 U1 C15 125.76(13) . . ?
O1 U1 C16 120.06(13) . . ?
O1 U1 O2 99.83(12) . . ?
O2 U1 C1 84.58(12) . . ?
O2 U1 C2 78.69(13) . . ?
O2 U1 C3 102.62(13) . . ?
O2 U1 C4 126.71(13) . . ?
O2 U1 C5 113.99(13) . . ?
O2 U1 C12 139.97(14) . . ?
O2 U1 C13 114.91(13) . . ?
O2 U1 C14 90.32(13) . . ?
O2 U1 C15 95.58(14) . . ?
O2 U1 C16 123.70(14) . . ?
C54 C53 H53 119.9 . . ?
C55 C53 H53 119.9 2_767 . ?
C55 C53 C54 120.3(8) 2_767 . ?
C53 C54 H54 119.8 . . ?
C55 C54 C53 120.3(7) . . ?
C55 C54 H54 119.8 . . ?
C53 C55 H55 120.3 2_767 . ?
C54 C55 C53 119.4(7) . 2_767 ?
C54 C55 H55 120.3 . . ?
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 1.421(6) . ?
C1 C5 1.422(6) . ?
C1 Si1 1.866(5) . ?
C1 U1 2.778(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.411(7) . ?
C2 U1 2.773(5) . ?
C3 C4 1.432(7) . ?
C3 Si2 1.867(5) . ?
C3 U1 2.818(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.405(7) . ?
C4 U1 2.771(4) . ?
C5 H5 0.9300 . ?
C5 U1 2.777(4) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C6 Si1 1.872(5) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 Si1 1.877(5) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 Si1 1.868(6) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 Si2 1.874(5) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 Si2 1.866(5) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11 Si2 1.866(5) . ?
C12 C13 1.421(6) . ?
C12 C16 1.425(7) . ?
C12 Si3 1.868(5) . ?
C12 U1 2.764(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.411(7) . ?
C13 U1 2.765(5) . ?
C14 C15 1.432(7) . ?
C14 Si4 1.861(5) . ?
C14 U1 2.792(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.411(7) . ?
C15 U1 2.795(5) . ?
C16 H16 0.9300 . ?
C16 U1 2.788(5) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 Si3 1.869(5) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18 Si3 1.869(5) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C19 Si3 1.874(5) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C20 Si4 1.861(6) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21 Si4 1.863(6) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C22 Si4 1.864(6) . ?
C23 H23 0.9800 . ?
C23 C24 1.536(6) . ?
C23 C29 1.516(7) . ?
C23 O1 1.399(5) . ?
C24 C25 1.344(7) . ?
C24 C35 1.456(7) . ?
C25 C26 1.258(7) . ?
C26 C27 1.329(7) . ?
C27 C28 1.539(7) . ?
C27 C41 1.478(7) . ?
C28 H28 0.9800 . ?
C28 C47 1.532(6) . ?
C28 O2 1.390(5) . ?
C29 C30 1.387(7) . ?
C29 C34 1.403(7) . ?
C30 H30 0.9300 . ?
C30 C31 1.391(7) . ?
C31 H31 0.9300 . ?
C31 C32 1.389(8) . ?
C32 C33 1.374(8) . ?
C32 Cl1 1.745(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.384(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.409(7) . ?
C35 C40 1.411(7) . ?
C36 H36 0.9300 . ?
C36 C37 1.378(7) . ?
C37 H37 0.9300 . ?
C37 C38 1.381(7) . ?
C38 H38 0.9300 . ?
C38 C39 1.395(8) . ?
C39 H39 0.9300 . ?
C39 C40 1.390(7) . ?
C40 H40 0.9300 . ?
C41 C42 1.405(7) . ?
C41 C46 1.400(7) . ?
C42 H42 0.9300 . ?
C42 C43 1.369(8) . ?
C43 H43 0.9300 . ?
C43 C44 1.392(8) . ?
C44 H44 0.9300 . ?
C44 C45 1.379(8) . ?
C45 H45 0.9300 . ?
C45 C46 1.381(7) . ?
C46 H46 0.9300 . ?
C47 C48 1.389(7) . ?
C47 C52 1.390(7) . ?
C48 H48 0.9300 . ?
C48 C49 1.386(7) . ?
C49 H49 0.9300 . ?
C49 C50 1.384(8) . ?
C50 C51 1.371(7) . ?
C50 Cl2 1.749(5) . ?
C51 H51 0.9300 . ?
C51 C52 1.388(7) . ?
C52 H52 0.9300 . ?
O1 U1 2.096(3) . ?
O2 U1 2.104(3) . ?
C53 H53 0.9300 . ?
C53 C54 1.380(12) . ?
C53 C55 1.372(10) 2_767 ?
C54 H54 0.9300 . ?
C54 C55 1.355(11) . ?
C55 C53 1.372(10) 2_767 ?
C55 H55 0.9300 . ?
