#------------------------------------------------------------------------------
#$Date: 2022-08-06 14:48:12 +0300 (Sat, 06 Aug 2022) $
#$Revision: 277109 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/06/7710612.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_7710612
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         'C44 H68 Si6 U'
_chemical_formula_sum            'C44 H68 Si6 U'
_chemical_formula_weight         1003.55
_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             2019-07-03
_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                99.809(2)
_cell_angle_beta                 99.477(2)
_cell_angle_gamma                117.241(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1443(3)
_cell_length_b                   12.5856(3)
_cell_length_c                   18.7447(3)
_cell_measurement_reflns_used    13964
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      71.9600
_cell_measurement_theta_min      4.1840
_cell_volume                     2411.82(11)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (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)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3127
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -52.00  32.00   1.00    1.00    --  -41.49  57.00 -90.00   84
  2  ω   -130.00  44.00   1.00    1.00    --  -41.49   0.00  90.00  174
  3  ω     33.00  63.00   1.00    1.00    --   41.49-125.00  90.00   30
  4  ω     33.00  76.00   1.00    1.00    --   41.49-125.00   0.00   43
  5  ω     27.00  87.00   1.00    1.00    --   41.49-125.00-180.00   60
  6  ω    126.00 178.00   1.00    1.00    --  104.69 125.00 120.00   52
  7  ω     23.00 140.00   1.00    1.00    --  104.69 -15.00 -60.00  117
  8  ω     93.00 118.00   1.00    1.00    --  104.69-125.00 120.00   25
  9  ω     50.00 105.00   1.00    1.00    --  104.69 -94.00-180.00   55
 10  ω     48.00  75.00   1.00    1.00    --  104.69 -45.00  90.00   27
 11  ω     85.00 117.00   1.00    1.00    --  104.69-125.00 -30.00   32
 12  ω     30.00 137.00   1.00    1.00    --  104.69 -77.00  30.00  107
 13  ω    141.00 167.00   1.00    1.00    --  104.69  45.00 120.00   26
 14  ω     34.00 127.00   1.00    1.00    --  104.69 -30.00 120.00   93
 15  ω     83.00 169.00   1.00    1.00    --  104.69  45.00 -60.00   86
 16  ω     83.00 128.00   1.00    1.00    --  104.69  45.00 120.00   45
 17  ω     40.00 133.00   1.00    1.00    --  104.69 -61.00-150.00   93
 18  ω     49.00  74.00   1.00    1.00    --  104.69-125.00 120.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0974278000
_diffrn_orient_matrix_UB_12      -0.0709127000
_diffrn_orient_matrix_UB_13      0.0414713000
_diffrn_orient_matrix_UB_21      -0.0507940000
_diffrn_orient_matrix_UB_22      0.0919648000
_diffrn_orient_matrix_UB_23      0.0001225000
_diffrn_orient_matrix_UB_31      -0.0998807000
_diffrn_orient_matrix_UB_32      -0.0841650000
_diffrn_orient_matrix_UB_33      -0.0762531000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_av_unetI/netI     0.0403
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17242
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.106
_diffrn_reflns_theta_min         4.116
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    11.097
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_description       block
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.519
_refine_diff_density_min         -1.734
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         9229
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0228
_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)+(0.0270P)²+0.1808P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0567
_refine_ls_wR_factor_ref         0.0573
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9007
_reflns_number_total             9229
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01730j2.cif
_cod_data_source_block           compound4
_cod_depositor_comments
'Adding full bibliography for 7710605--7710617.cif.'
_cod_original_cell_volume        2411.82(10)
_cod_database_code               7710612
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         C1H1Si1U1
_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   0.403
_shelx_estimated_absorpt_t_min   0.215
_reflns_odcompleteness_completeness 99.98
_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 Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C17(H17), C19(H19), C29(H29), C30(H30), C31(H31), C32(H32),
 C33(H33), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44)
2.b 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), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C),
 C14(H14A,H14B,H14C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,
 H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C)
;
_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 1.338
_oxdiff_exptl_absorpt_empirical_full_min 0.790
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 0.8177(3) 0.3826(3) 0.25079(16) 0.0166(6) Uani 1 1 d . . . . .
C2 C 0.7355(3) 0.3945(3) 0.19130(16) 0.0157(6) Uani 1 1 d . . . . .
C3 C 0.6730(3) 0.4513(3) 0.22718(16) 0.0152(6) Uani 1 1 d . . . . .
H3 H 0.6144 0.4699 0.2018 0.018 Uiso 1 1 calc R . . . .
C4 C 0.7122(3) 0.4757(3) 0.30700(16) 0.0163(6) Uani 1 1 d . . . . .
C5 C 0.8008(3) 0.4321(3) 0.32011(16) 0.0163(6) Uani 1 1 d . . . . .
H5 H 0.8423 0.4353 0.3675 0.020 Uiso 1 1 calc R . . . .
C6 C 0.9683(3) 0.2859(3) 0.33595(18) 0.0232(6) Uani 1 1 d . . . . .
H6A H 1.0267 0.3547 0.3793 0.035 Uiso 1 1 calc GR . . . .
H6B H 1.0017 0.2305 0.3264 0.035 Uiso 1 1 calc GR . . . .
H6C H 0.8858 0.2420 0.3451 0.035 Uiso 1 1 calc GR . . . .
C7 C 0.9267(3) 0.2347(3) 0.16284(19) 0.0264(7) Uani 1 1 d . . . . .
H7A H 0.8489 0.1571 0.1538 0.040 Uiso 1 1 calc GR . . . .
H7B H 0.9987 0.2208 0.1675 0.040 Uiso 1 1 calc GR . . . .
H7C H 0.9204 0.2692 0.1215 0.040 Uiso 1 1 calc GR . . . .
C8 C 1.1041(3) 0.4933(3) 0.2660(2) 0.0291(7) Uani 1 1 d . . . . .
H8A H 1.0981 0.5249 0.2233 0.044 Uiso 1 1 calc GR . . . .
H8B H 1.1745 0.4771 0.2714 0.044 Uiso 1 1 calc GR . . . .
H8C H 1.1184 0.5536 0.3107 0.044 Uiso 1 1 calc GR . . . .
C9 C 0.6717(4) 0.2243(3) 0.02590(18) 0.0288(7) Uani 1 1 d . . . . .
H9A H 0.7273 0.1941 0.0442 0.043 Uiso 1 1 calc GR . . . .
H9B H 0.6742 0.2299 -0.0243 0.043 Uiso 1 1 calc GR . . . .
H9C H 0.5851 0.1680 0.0255 0.043 Uiso 1 1 calc GR . . . .
C10 C 0.8903(3) 0.4908(3) 0.08108(19) 0.0301(8) Uani 1 1 d . . . . .
H10A H 0.9198 0.5732 0.1116 0.045 Uiso 1 1 calc GR . . . .
H10B H 0.8851 0.4914 0.0295 0.045 Uiso 1 1 calc GR . . . .
H10C H 0.9496 0.4639 0.0982 0.045 Uiso 1 1 calc GR . . . .
C11 C 0.6154(4) 0.4352(3) 0.05089(18) 0.0283(7) Uani 1 1 d . . . . .
H11A H 0.5306 0.3816 0.0545 0.042 Uiso 1 1 calc GR . . . .
H11B H 0.6123 0.4326 -0.0009 0.042 Uiso 1 1 calc GR . . . .
H11C H 0.6458 0.5189 0.0796 0.042 Uiso 1 1 calc GR . . . .
C12 C 0.8691(3) 0.7375(3) 0.40237(19) 0.0275(7) Uani 1 1 d . . . . .
H12A H 0.9296 0.7201 0.4302 0.041 Uiso 1 1 calc GR . . . .
H12B H 0.8696 0.8071 0.4332 0.041 Uiso 1 1 calc GR . . . .
H12C H 0.8930 0.7571 0.3579 0.041 Uiso 1 1 calc GR . . . .
C13 C 0.5829(3) 0.6347(3) 0.3278(2) 0.0259(7) Uani 1 1 d . . . . .
H13A H 0.5984 0.6509 0.2811 0.039 Uiso 1 1 calc GR . . . .
H13B H 0.5902 0.7068 0.3602 0.039 Uiso 1 1 calc GR . . . .
H13C H 0.4977 0.5652 0.3180 0.039 Uiso 1 1 calc GR . . . .
C14 C 0.6684(4) 0.5604(3) 0.46366(18) 0.0310(8) Uani 1 1 d . . . . .
H14A H 0.5787 0.5005 0.4533 0.046 Uiso 1 1 calc GR . . . .
H14B H 0.6888 0.6350 0.5001 0.046 Uiso 1 1 calc GR . . . .
H14C H 0.7196 0.5267 0.4832 0.046 Uiso 1 1 calc GR . . . .
C15 C 0.3872(3) 0.0225(3) 0.29055(16) 0.0147(6) Uani 1 1 d . . . . .
C16 C 0.3777(3) 0.1308(3) 0.32085(16) 0.0159(6) Uani 1 1 d . . . . .
C17 C 0.4943(3) 0.2137(3) 0.37919(16) 0.0156(6) Uani 1 1 d . . . . .
H17 H 0.5144 0.2916 0.4076 0.019 Uiso 1 1 calc R . . . .
C18 C 0.5756(3) 0.1607(3) 0.38791(16) 0.0171(6) Uani 1 1 d . . . . .
C19 C 0.5079(3) 0.0436(3) 0.33261(16) 0.0153(6) Uani 1 1 d . . . . .
H19 H 0.5382 -0.0120 0.3248 0.018 Uiso 1 1 calc R . . . .
C20 C 0.1282(3) -0.2008(3) 0.27344(17) 0.0194(6) Uani 1 1 d . . . . .
H20A H 0.1642 -0.1955 0.3244 0.029 Uiso 1 1 calc GR . . . .
H20B H 0.0682 -0.2863 0.2463 0.029 Uiso 1 1 calc GR . . . .
H20C H 0.0844 -0.1538 0.2735 0.029 Uiso 1 1 calc GR . . . .
C21 C 0.3371(3) -0.2360(3) 0.21730(19) 0.0230(6) Uani 1 1 d . . . . .
H21A H 0.4091 -0.1982 0.1972 0.035 Uiso 1 1 calc GR . . . .
H21B H 0.2750 -0.3168 0.1839 0.035 Uiso 1 1 calc GR . . . .
H21C H 0.3662 -0.2440 0.2659 0.035 Uiso 1 1 calc GR . . . .
C22 C 0.1856(3) -0.1437(3) 0.12914(17) 0.0230(7) Uani 1 1 d . . . . .
H22A H 0.1564 -0.0845 0.1315 0.035 Uiso 1 1 calc GR . . . .
H22B H 0.1138 -0.2259 0.1048 0.035 Uiso 1 1 calc GR . . . .
H22C H 0.2482 -0.1247 0.1010 0.035 Uiso 1 1 calc GR . . . .
C23 C 0.1058(3) 0.0712(3) 0.22450(17) 0.0207(6) Uani 1 1 d . . . . .
H23A H 0.1388 0.0983 0.1838 0.031 Uiso 1 1 calc GR . . . .
H23B H 0.0370 0.0879 0.2280 0.031 Uiso 1 1 calc GR . . . .
H23C H 0.0741 -0.0165 0.2153 0.031 Uiso 1 1 calc GR . . . .
C24 C 0.2983(3) 0.3272(3) 0.32949(18) 0.0227(6) Uani 1 1 d . . . . .
H24A H 0.3718 0.3733 0.3729 0.034 Uiso 1 1 calc GR . . . .
H24B H 0.2318 0.3453 0.3374 0.034 Uiso 1 1 calc GR . . . .
H24C H 0.3227 0.3506 0.2860 0.034 Uiso 1 1 calc GR . . . .
C25 C 0.1673(3) 0.1052(3) 0.39276(18) 0.0227(6) Uani 1 1 d . . . . .
H25A H 0.1219 0.0159 0.3801 0.034 Uiso 1 1 calc GR . . . .
H25B H 0.1088 0.1350 0.3999 0.034 Uiso 1 1 calc GR . . . .
H25C H 0.2356 0.1384 0.4384 0.034 Uiso 1 1 calc GR . . . .
C26 C 0.6156(3) 0.1939(4) 0.55232(18) 0.0359(9) Uani 1 1 d . . . . .
H26A H 0.5859 0.2528 0.5541 0.054 Uiso 1 1 calc GR . . . .
H26B H 0.6740 0.2136 0.6001 0.054 Uiso 1 1 calc GR . . . .
H26C H 0.5434 0.1116 0.5413 0.054 Uiso 1 1 calc GR . . . .
C27 C 0.8476(3) 0.3595(3) 0.50603(18) 0.0280(7) Uani 1 1 d . . . . .
H27A H 0.8993 0.3634 0.4719 0.042 Uiso 1 1 calc GR . . . .
H27B H 0.8968 0.3753 0.5561 0.042 Uiso 1 1 calc GR . . . .
H27C H 0.8220 0.4211 0.5050 0.042 Uiso 1 1 calc GR . . . .
C28 C 0.7561(3) 0.0845(3) 0.4701(2) 0.0318(8) Uani 1 1 d . . . . .
H28A H 0.6826 0.0021 0.4543 0.048 Uiso 1 1 calc GR . . . .
H28B H 0.8091 0.0977 0.5184 0.048 Uiso 1 1 calc GR . . . .
H28C H 0.8050 0.0938 0.4339 0.048 Uiso 1 1 calc GR . . . .
C29 C 0.3167(3) 0.3203(3) 0.12915(18) 0.0244(7) Uani 1 1 d . . . . .
H29 H 0.3802 0.3782 0.1726 0.029 Uiso 1 1 calc R . . . .
C30 C 0.2269(3) 0.3469(4) 0.0928(2) 0.0310(8) Uani 1 1 d . . . . .
H30 H 0.2311 0.4223 0.1117 0.037 Uiso 1 1 calc R . . . .
C31 C 0.1313(4) 0.2611(4) 0.0284(2) 0.0358(9) Uani 1 1 d . . . . .
H31 H 0.0715 0.2790 0.0039 0.043 Uiso 1 1 calc R . . . .
C32 C 0.1251(3) 0.1490(4) 0.0006(2) 0.0339(8) Uani 1 1 d . . . . .
H32 H 0.0601 0.0909 -0.0422 0.041 Uiso 1 1 calc R . . . .
C33 C 0.2148(3) 0.1223(3) 0.03587(18) 0.0259(7) Uani 1 1 d . . . . .
H33 H 0.2102 0.0470 0.0160 0.031 Uiso 1 1 calc R . . . .
C34 C 0.3128(3) 0.2076(3) 0.10139(17) 0.0195(6) Uani 1 1 d . . . . .
C35 C 0.4074(3) 0.1810(3) 0.13986(16) 0.0172(6) Uani 1 1 d . . . . .
C36 C 0.4440(3) 0.1000(3) 0.11932(15) 0.0175(6) Uani 1 1 d . . . . .
C37 C 0.5185(3) 0.0526(3) 0.13625(16) 0.0179(6) Uani 1 1 d . . . . .
C38 C 0.6043(3) 0.0496(3) 0.18620(17) 0.0188(6) Uani 1 1 d . . . . .
C39 C 0.6593(3) -0.0324(3) 0.18704(17) 0.0186(6) Uani 1 1 d . . . . .
C40 C 0.6386(3) -0.1195(3) 0.12147(19) 0.0267(7) Uani 1 1 d . . . . .
H40 H 0.5911 -0.1244 0.0755 0.032 Uiso 1 1 calc R . . . .
C41 C 0.6892(4) -0.1991(3) 0.1247(2) 0.0300(7) Uani 1 1 d . . . . .
H41 H 0.6751 -0.2566 0.0809 0.036 Uiso 1 1 calc R . . . .
C42 C 0.7596(3) -0.1930(3) 0.1924(2) 0.0287(7) Uani 1 1 d . . . . .
H42 H 0.7924 -0.2466 0.1943 0.034 Uiso 1 1 calc R . . . .
C43 C 0.7817(3) -0.1058(3) 0.2585(2) 0.0269(7) Uani 1 1 d . . . . .
H43 H 0.8299 -0.1007 0.3042 0.032 Uiso 1 1 calc R . . . .
C44 C 0.7312(3) -0.0275(3) 0.25498(18) 0.0214(6) Uani 1 1 d . . . . .
H44 H 0.7456 0.0297 0.2990 0.026 Uiso 1 1 calc R . . . .
Si1 Si 0.95033(8) 0.34542(7) 0.25178(5) 0.01913(16) Uani 1 1 d . . . . .
Si2 Si 0.72700(8) 0.38159(8) 0.08881(4) 0.01924(16) Uani 1 1 d . . . . .
Si3 Si 0.70379(8) 0.59785(7) 0.37459(4) 0.01841(16) Uani 1 1 d . . . . .
Si4 Si 0.26079(7) -0.13603(7) 0.22694(4) 0.01551(15) Uani 1 1 d . . . . .
Si5 Si 0.23690(7) 0.15648(7) 0.31432(4) 0.01591(15) Uani 1 1 d . . . . .
Si6 Si 0.70078(8) 0.20122(8) 0.47697(4) 0.01996(17) Uani 1 1 d . . . . .
U1 U 0.57161(2) 0.21569(2) 0.25024(2) 0.01196(4) 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'
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 Si1 132.1(2) . . ?
C2 C1 U1 75.78(16) . . ?
C5 C1 C2 106.6(2) . . ?
C5 C1 Si1 120.2(2) . . ?
C5 C1 U1 74.52(16) . . ?
Si1 C1 U1 124.33(13) . . ?
C1 C2 Si2 132.5(2) . . ?
C1 C2 U1 73.93(16) . . ?
C3 C2 C1 106.4(2) . . ?
C3 C2 Si2 119.6(2) . . ?
C3 C2 U1 75.47(16) . . ?
Si2 C2 U1 126.70(13) . . ?
C2 C3 H3 124.5 . . ?
C2 C3 U1 74.76(16) . . ?
C4 C3 C2 111.0(2) . . ?
C4 C3 H3 124.5 . . ?
C4 C3 U1 75.86(16) . . ?
U1 C3 H3 116.6 . . ?
C3 C4 Si3 123.3(2) . . ?
C3 C4 U1 74.57(16) . . ?
C5 C4 C3 105.0(2) . . ?
C5 C4 Si3 126.8(2) . . ?
C5 C4 U1 72.83(16) . . ?
Si3 C4 U1 136.93(14) . . ?
C1 C5 H5 124.5 . . ?
C1 C5 U1 75.30(16) . . ?
C4 C5 C1 111.0(3) . . ?
C4 C5 H5 124.5 . . ?
C4 C5 U1 77.52(17) . . ?
U1 C5 H5 114.5 . . ?
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 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
Si3 C12 H12C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
C16 C15 Si4 130.7(2) . . ?
C16 C15 U1 74.50(16) . . ?
C19 C15 C16 106.7(2) . . ?
C19 C15 Si4 121.1(2) . . ?
C19 C15 U1 74.95(16) . . ?
Si4 C15 U1 127.09(13) . . ?
C15 C16 Si5 131.9(2) . . ?
C15 C16 U1 75.20(16) . . ?
C17 C16 C15 106.4(2) . . ?
C17 C16 Si5 119.5(2) . . ?
C17 C16 U1 73.75(16) . . ?
Si5 C16 U1 129.14(13) . . ?
C16 C17 H17 124.6 . . ?
C16 C17 U1 76.16(16) . . ?
C18 C17 C16 110.7(3) . . ?
C18 C17 H17 124.6 . . ?
C18 C17 U1 76.89(16) . . ?
U1 C17 H17 114.2 . . ?
C17 C18 Si6 124.9(2) . . ?
C17 C18 U1 73.14(16) . . ?
C19 C18 C17 105.2(2) . . ?
C19 C18 Si6 124.8(2) . . ?
C19 C18 U1 74.73(16) . . ?
Si6 C18 U1 136.90(14) . . ?
C15 C19 H19 124.5 . . ?
C15 C19 U1 75.25(16) . . ?
C18 C19 C15 110.9(2) . . ?
C18 C19 H19 124.5 . . ?
C18 C19 U1 75.66(16) . . ?
U1 C19 H19 116.3 . . ?
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 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si5 C23 H23A 109.5 . . ?
Si5 C23 H23B 109.5 . . ?
Si5 C23 H23C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si5 C24 H24A 109.5 . . ?
Si5 C24 H24B 109.5 . . ?
Si5 C24 H24C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si5 C25 H25A 109.5 . . ?
Si5 C25 H25B 109.5 . . ?
Si5 C25 H25C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si6 C26 H26A 109.5 . . ?
Si6 C26 H26B 109.5 . . ?
Si6 C26 H26C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si6 C27 H27A 109.5 . . ?
Si6 C27 H27B 109.5 . . ?
Si6 C27 H27C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si6 C28 H28A 109.5 . . ?
Si6 C28 H28B 109.5 . . ?
Si6 C28 H28C 109.5 . . ?
C30 C29 H29 119.5 . . ?
C30 C29 C34 121.0(3) . . ?
C34 C29 H29 119.5 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.1 . . ?
C32 C31 C30 119.8(3) . . ?
C32 C31 H31 120.1 . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.6(3) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 H33 119.6 . . ?
C32 C33 C34 120.8(3) . . ?
C34 C33 H33 119.6 . . ?
C29 C34 C33 117.7(3) . . ?
C29 C34 C35 120.5(3) . . ?
C33 C34 C35 121.8(3) . . ?
C34 C35 U1 152.3(2) . . ?
C36 C35 C34 133.0(3) . . ?
C36 C35 U1 74.67(18) . . ?
C35 C36 C37 148.9(3) . . ?
C35 C36 U1 74.25(17) . . ?
C37 C36 U1 74.63(17) . . ?
C36 C37 U1 74.17(17) . . ?
C38 C37 C36 148.7(3) . . ?
C38 C37 U1 74.62(18) . . ?
C37 C38 C39 133.6(3) . . ?
C37 C38 U1 74.68(18) . . ?
C39 C38 U1 151.4(2) . . ?
C40 C39 C38 121.9(3) . . ?
C44 C39 C38 119.8(3) . . ?
C44 C39 C40 118.2(3) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 C39 120.4(3) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 119.8 . . ?
C42 C41 C40 120.4(3) . . ?
C42 C41 H41 119.8 . . ?
C41 C42 H42 120.1 . . ?
C41 C42 C43 119.9(3) . . ?
C43 C42 H42 120.1 . . ?
C42 C43 H43 120.3 . . ?
C44 C43 C42 119.5(3) . . ?
C44 C43 H43 120.3 . . ?
C39 C44 H44 119.2 . . ?
C43 C44 C39 121.6(3) . . ?
C43 C44 H44 119.2 . . ?
C1 Si1 C6 107.21(14) . . ?
C1 Si1 C8 108.43(14) . . ?
C7 Si1 C1 114.35(15) . . ?
C7 Si1 C6 111.92(15) . . ?
C7 Si1 C8 106.98(16) . . ?
C8 Si1 C6 107.73(15) . . ?
C9 Si2 C2 117.06(14) . . ?
C9 Si2 C10 107.76(16) . . ?
C10 Si2 C2 108.77(14) . . ?
C11 Si2 C2 108.05(14) . . ?
C11 Si2 C9 107.60(16) . . ?
C11 Si2 C10 107.20(16) . . ?
C4 Si3 C12 104.87(14) . . ?
C4 Si3 C14 115.30(14) . . ?
C12 Si3 C14 106.83(16) . . ?
C13 Si3 C4 110.58(14) . . ?
C13 Si3 C12 110.06(15) . . ?
C13 Si3 C14 109.00(17) . . ?
C20 Si4 C15 107.32(13) . . ?
C21 Si4 C15 107.87(13) . . ?
C21 Si4 C20 110.37(14) . . ?
C22 Si4 C15 116.86(13) . . ?
C22 Si4 C20 107.50(14) . . ?
C22 Si4 C21 106.88(15) . . ?
C16 Si5 C24 107.98(14) . . ?
C16 Si5 C25 106.20(14) . . ?
C23 Si5 C16 116.31(14) . . ?
C23 Si5 C24 108.24(14) . . ?
C23 Si5 C25 108.15(15) . . ?
C24 Si5 C25 109.87(14) . . ?
C26 Si6 C18 104.47(15) . . ?
C27 Si6 C18 116.97(14) . . ?
C27 Si6 C26 107.11(17) . . ?
C28 Si6 C18 109.96(15) . . ?
C28 Si6 C26 110.67(18) . . ?
C28 Si6 C27 107.57(16) . . ?
C1 U1 C2 30.29(8) . . ?
C1 U1 C15 155.44(8) . . ?
C1 U1 C16 151.07(9) . . ?
C1 U1 C18 109.64(8) . . ?
C1 U1 C19 125.66(8) . . ?
C2 U1 C18 137.39(8) . . ?
C5 U1 C1 30.18(8) . . ?
C5 U1 C2 49.38(8) . . ?
C5 U1 C15 137.91(8) . . ?
C5 U1 C16 121.02(8) . . ?
C5 U1 C18 88.39(8) . . ?
C5 U1 C19 113.92(8) . . ?
C15 U1 C2 172.69(8) . . ?
C15 U1 C18 49.89(8) . . ?
C16 U1 C2 151.13(8) . . ?
C16 U1 C15 30.31(8) . . ?
C16 U1 C18 50.10(8) . . ?
C16 U1 C19 49.22(8) . . ?
C17 U1 C1 121.66(9) . . ?
C17 U1 C2 136.42(8) . . ?
C17 U1 C5 92.56(9) . . ?
C17 U1 C15 49.43(8) . . ?
C17 U1 C16 30.09(8) . . ?
C17 U1 C18 29.97(9) . . ?
C17 U1 C19 48.50(8) . . ?
C19 U1 C2 155.38(8) . . ?
C19 U1 C15 29.80(8) . . ?
C19 U1 C18 29.60(8) . . ?
C35 U1 C1 112.89(9) . . ?
C35 U1 C2 83.12(9) . . ?
C35 U1 C5 126.27(9) . . ?
C35 U1 C15 90.17(9) . . ?
C35 U1 C16 87.19(9) . . ?
C35 U1 C17 113.66(9) . . ?
C35 U1 C18 136.60(9) . . ?
C35 U1 C19 118.61(9) . . ?
C35 U1 C36 31.08(10) . . ?
C35 U1 C37 62.27(10) . . ?
C35 U1 C38 92.96(10) . . ?
C36 U1 C1 108.52(9) . . ?
C36 U1 C2 86.11(9) . . ?
C36 U1 C5 135.35(9) . . ?
C36 U1 C15 86.65(9) . . ?
C36 U1 C16 99.36(9) . . ?
C36 U1 C17 129.44(9) . . ?
C36 U1 C18 135.10(9) . . ?
C36 U1 C19 106.51(9) . . ?
C36 U1 C37 31.20(10) . . ?
C36 U1 C38 61.89(10) . . ?
C37 U1 C1 98.61(9) . . ?
C37 U1 C2 89.92(9) . . ?
C37 U1 C5 128.53(9) . . ?
C37 U1 C15 84.36(9) . . ?
C37 U1 C16 109.43(9) . . ?
C37 U1 C17 133.65(9) . . ?
C37 U1 C18 119.27(9) . . ?
C37 U1 C19 90.65(9) . . ?
C38 U1 C1 87.58(9) . . ?
C38 U1 C2 94.69(9) . . ?
C38 U1 C5 111.83(9) . . ?
C38 U1 C15 82.71(9) . . ?
C38 U1 C16 112.97(9) . . ?
C38 U1 C17 122.48(9) . . ?
C38 U1 C18 97.07(9) . . ?
C38 U1 C19 74.01(9) . . ?
C38 U1 C37 30.70(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 1.445(4) . ?
C1 C5 1.431(4) . ?
C1 Si1 1.870(3) . ?
C1 U1 2.753(3) . ?
C2 C3 1.429(4) . ?
C2 Si2 1.882(3) . ?
C2 U1 2.778(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.426(4) . ?
C3 U1 2.787(3) . ?
C4 C5 1.420(4) . ?
C4 Si3 1.871(3) . ?
C4 U1 2.803(3) . ?
C5 H5 0.9300 . ?
C5 U1 2.743(3) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C6 Si1 1.881(3) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 Si1 1.868(3) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 Si1 1.873(3) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 Si2 1.868(3) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 Si2 1.873(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11 Si2 1.865(3) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C12 Si3 1.873(3) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C13 Si3 1.865(3) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 Si3 1.874(3) . ?
C15 C16 1.448(4) . ?
C15 C19 1.426(4) . ?
C15 Si4 1.882(3) . ?
C15 U1 2.774(3) . ?
C16 C17 1.428(4) . ?
C16 Si5 1.869(3) . ?
C16 U1 2.765(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.427(4) . ?
C17 U1 2.734(3) . ?
C18 C19 1.419(4) . ?
C18 Si6 1.877(3) . ?
C18 U1 2.782(3) . ?
C19 H19 0.9300 . ?
C19 U1 2.770(3) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C20 Si4 1.876(3) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21 Si4 1.876(3) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C22 Si4 1.874(3) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C23 Si5 1.859(3) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C24 Si5 1.874(3) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C25 Si5 1.878(3) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C26 Si6 1.874(4) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C27 Si6 1.872(3) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C28 Si6 1.869(4) . ?
C29 H29 0.9300 . ?
C29 C30 1.389(5) . ?
C29 C34 1.402(5) . ?
C30 H30 0.9300 . ?
C30 C31 1.385(5) . ?
C31 H31 0.9300 . ?
C31 C32 1.381(6) . ?
C32 H32 0.9300 . ?
C32 C33 1.381(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.406(4) . ?
C34 C35 1.453(4) . ?
C35 C36 1.312(4) . ?
C35 U1 2.446(3) . ?
C36 C37 1.320(4) . ?
C36 U1 2.451(3) . ?
C37 C38 1.300(4) . ?
C37 U1 2.457(3) . ?
C38 C39 1.464(4) . ?
C38 U1 2.456(3) . ?
C39 C40 1.401(4) . ?
C39 C44 1.396(5) . ?
C40 H40 0.9300 . ?
C40 C41 1.399(5) . ?
C41 H41 0.9300 . ?
C41 C42 1.376(5) . ?
C42 H42 0.9300 . ?
C42 C43 1.403(5) . ?
C43 H43 0.9300 . ?
C43 C44 1.382(5) . ?
C44 H44 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 -0.1(3) . . . . ?
C1 C2 C3 U1 -68.01(19) . . . . ?
C1 C2 Si2 C9 68.1(3) . . . . ?
C1 C2 Si2 C10 -54.3(3) . . . . ?
C1 C2 Si2 C11 -170.3(3) . . . . ?
C2 C1 C5 C4 -0.5(3) . . . . ?
C2 C1 C5 U1 69.6(2) . . . . ?
C2 C1 Si1 C6 -158.3(3) . . . . ?
C2 C1 Si1 C7 -33.7(3) . . . . ?
C2 C1 Si1 C8 85.6(3) . . . . ?
C2 C3 C4 C5 -0.2(3) . . . . ?
C2 C3 C4 Si3 156.3(2) . . . . ?
C2 C3 C4 U1 -67.2(2) . . . . ?
C3 C2 Si2 C9 -127.9(2) . . . . ?
C3 C2 Si2 C10 109.7(3) . . . . ?
C3 C2 Si2 C11 -6.4(3) . . . . ?
C3 C4 C5 C1 0.5(3) . . . . ?
C3 C4 C5 U1 -68.24(19) . . . . ?
C3 C4 Si3 C12 -95.9(3) . . . . ?
C3 C4 Si3 C13 22.7(3) . . . . ?
C3 C4 Si3 C14 146.9(3) . . . . ?
C5 C1 C2 C3 0.4(3) . . . . ?
C5 C1 C2 Si2 165.9(2) . . . . ?
C5 C1 C2 U1 -68.72(19) . . . . ?
C5 C1 Si1 C6 35.5(3) . . . . ?
C5 C1 Si1 C7 160.2(2) . . . . ?
C5 C1 Si1 C8 -80.6(3) . . . . ?
C5 C4 Si3 C12 55.3(3) . . . . ?
C5 C4 Si3 C13 173.9(2) . . . . ?
C5 C4 Si3 C14 -61.9(3) . . . . ?
C15 C16 C17 C18 -1.3(3) . . . . ?
C15 C16 C17 U1 68.69(19) . . . . ?
C15 C16 Si5 C23 -34.3(3) . . . . ?
C15 C16 Si5 C24 -156.1(3) . . . . ?
C15 C16 Si5 C25 86.1(3) . . . . ?
C16 C15 C19 C18 -0.3(3) . . . . ?
C16 C15 C19 U1 -68.32(19) . . . . ?
C16 C15 Si4 C20 -55.9(3) . . . . ?
C16 C15 Si4 C21 -174.8(3) . . . . ?
C16 C15 Si4 C22 64.8(3) . . . . ?
C16 C17 C18 C19 1.0(3) . . . . ?
C16 C17 C18 Si6 -154.6(2) . . . . ?
C16 C17 C18 U1 69.5(2) . . . . ?
C17 C16 Si5 C23 165.0(2) . . . . ?
C17 C16 Si5 C24 43.2(3) . . . . ?
C17 C16 Si5 C25 -74.6(3) . . . . ?
C17 C18 C19 C15 -0.4(3) . . . . ?
C17 C18 C19 U1 67.30(19) . . . . ?
C17 C18 Si6 C26 47.9(3) . . . . ?
C17 C18 Si6 C27 -70.3(3) . . . . ?
C17 C18 Si6 C28 166.7(2) . . . . ?
C19 C15 C16 C17 1.0(3) . . . . ?
C19 C15 C16 Si5 -161.6(2) . . . . ?
C19 C15 C16 U1 68.64(19) . . . . ?
C19 C15 Si4 C20 107.7(2) . . . . ?
C19 C15 Si4 C21 -11.2(3) . . . . ?
C19 C15 Si4 C22 -131.5(2) . . . . ?
C19 C18 Si6 C26 -103.1(3) . . . . ?
C19 C18 Si6 C27 138.7(3) . . . . ?
C19 C18 Si6 C28 15.7(3) . . . . ?
C29 C30 C31 C32 0.3(5) . . . . ?
C29 C34 C35 C36 -162.9(3) . . . . ?
C29 C34 C35 U1 19.0(6) . . . . ?
C30 C29 C34 C33 -0.4(5) . . . . ?
C30 C29 C34 C35 179.9(3) . . . . ?
C30 C31 C32 C33 -1.0(5) . . . . ?
C31 C32 C33 C34 1.1(5) . . . . ?
C32 C33 C34 C29 -0.4(5) . . . . ?
C32 C33 C34 C35 179.4(3) . . . . ?
C33 C34 C35 C36 17.4(5) . . . . ?
C33 C34 C35 U1 -160.8(3) . . . . ?
C34 C29 C30 C31 0.4(5) . . . . ?
C34 C35 C36 C37 179.9(5) . . . . ?
C34 C35 C36 U1 -179.1(3) . . . . ?
C35 C36 C37 C38 4.7(10) . . . . ?
C35 C36 C37 U1 1.0(6) . . . . ?
C36 C37 C38 C39 170.9(5) . . . . ?
C36 C37 C38 U1 -3.6(6) . . . . ?
C37 C38 C39 C40 11.3(5) . . . . ?
C37 C38 C39 C44 -166.7(3) . . . . ?
C38 C39 C40 C41 -178.0(3) . . . . ?
C38 C39 C44 C43 178.2(3) . . . . ?
C39 C40 C41 C42 0.1(5) . . . . ?
C40 C39 C44 C43 0.1(5) . . . . ?
C40 C41 C42 C43 -0.5(5) . . . . ?
C41 C42 C43 C44 0.6(5) . . . . ?
C42 C43 C44 C39 -0.5(5) . . . . ?
C44 C39 C40 C41 0.1(5) . . . . ?
Si1 C1 C2 C3 -167.2(2) . . . . ?
Si1 C1 C2 Si2 -1.7(5) . . . . ?
Si1 C1 C2 U1 123.7(3) . . . . ?
Si1 C1 C5 C4 168.8(2) . . . . ?
Si1 C1 C5 U1 -121.06(19) . . . . ?
Si2 C2 C3 C4 -167.8(2) . . . . ?
Si2 C2 C3 U1 124.2(2) . . . . ?
Si3 C4 C5 C1 -155.0(2) . . . . ?
Si3 C4 C5 U1 136.3(2) . . . . ?
Si4 C15 C16 C17 166.4(2) . . . . ?
Si4 C15 C16 Si5 3.9(4) . . . . ?
Si4 C15 C16 U1 -125.9(2) . . . . ?
Si4 C15 C19 C18 -167.5(2) . . . . ?
Si4 C15 C19 U1 124.6(2) . . . . ?
Si5 C16 C17 C18 163.9(2) . . . . ?
Si5 C16 C17 U1 -126.19(19) . . . . ?
Si6 C18 C19 C15 155.2(2) . . . . ?
Si6 C18 C19 U1 -137.1(2) . . . . ?
U1 C1 C2 C3 69.1(2) . . . . ?
U1 C1 C2 Si2 -125.4(3) . . . . ?
U1 C1 C5 C4 -70.1(2) . . . . ?
U1 C1 Si1 C6 -55.83(19) . . . . ?
U1 C1 Si1 C7 68.9(2) . . . . ?
U1 C1 Si1 C8 -171.89(16) . . . . ?
U1 C2 C3 C4 67.9(2) . . . . ?
U1 C2 Si2 C9 -34.3(2) . . . . ?
U1 C2 Si2 C10 -156.66(17) . . . . ?
U1 C2 Si2 C11 87.28(19) . . . . ?
U1 C3 C4 C5 67.00(19) . . . . ?
U1 C3 C4 Si3 -136.5(2) . . . . ?
U1 C4 C5 C1 68.7(2) . . . . ?
U1 C4 Si3 C12 160.3(2) . . . . ?
U1 C4 Si3 C13 -81.0(2) . . . . ?
U1 C4 Si3 C14 43.2(3) . . . . ?
U1 C15 C16 C17 -67.68(19) . . . . ?
U1 C15 C16 Si5 129.8(3) . . . . ?
U1 C15 C19 C18 68.0(2) . . . . ?
U1 C15 Si4 C20 -157.91(15) . . . . ?
U1 C15 Si4 C21 83.17(18) . . . . ?
U1 C15 Si4 C22 -37.2(2) . . . . ?
U1 C16 C17 C18 -69.9(2) . . . . ?
U1 C16 Si5 C23 72.5(2) . . . . ?
U1 C16 Si5 C24 -49.4(2) . . . . ?
U1 C16 Si5 C25 -167.18(16) . . . . ?
U1 C17 C18 C19 -68.43(19) . . . . ?
U1 C17 C18 Si6 136.0(2) . . . . ?
U1 C18 C19 C15 -67.7(2) . . . . ?
U1 C18 Si6 C26 151.0(2) . . . . ?
U1 C18 Si6 C27 32.8(3) . . . . ?
U1 C18 Si6 C28 -90.2(2) . . . . ?
U1 C35 C36 C37 -1.0(6) . . . . ?
U1 C36 C37 C38 3.6(6) . . . . ?
U1 C37 C38 C39 174.5(4) . . . . ?
U1 C38 C39 C40 -179.9(3) . . . . ?
U1 C38 C39 C44 2.1(6) . . . . ?
