# Electronic Supplementary Material (ESI) for Chemical Science.
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#                                CCDC 
# 
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#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_2

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        2
_chemical_name_common            2
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H49 O Si2 U'
_chemical_formula_sum            'C29 H49 O Si2 U'
_chemical_formula_weight         707.89
_chemical_compound_source        'synthesis as described'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.840(2)
_cell_length_b                   14.869(3)
_cell_length_c                   19.149(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.19(3)
_cell_angle_gamma                90
_cell_volume                     3085.9(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    31273
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Plate
_exptl_crystal_colour            Brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_F_000             1404
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    5.356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.674
_exptl_absorpt_correction_T_max  0.814
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_reflns_number            40681
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.126
_diffrn_reflns_theta_max         27.459
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7015
_reflns_number_gt                5655
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        'HKL Denzo and Scalepack (Minor 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0246P)²+6.0393P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7015
_refine_ls_number_parameters     298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0284
_refine_ls_wR_factor_ref         0.0648
_refine_ls_wR_factor_gt          0.0602
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C012 C 0.1870(3) 0.6268(3) 0.2028(2) 0.0227(8) Uani 1 1 d . . . . .
C013 C 0.1098(4) 0.4845(3) 0.2151(2) 0.0276(9) Uani 1 1 d . . . . .
C014 C -0.2862(5) 0.7745(3) 0.4370(2) 0.0415(11) Uani 1 1 d . . . . .
H01A H -0.3625 0.7934 0.4130 0.062 Uiso 1 1 calc R U . . .
H01B H -0.2171 0.8104 0.4202 0.062 Uiso 1 1 calc R U . . .
H01C H -0.2942 0.7834 0.4874 0.062 Uiso 1 1 calc R U . . .
C015 C 0.1323(3) 0.5201(3) 0.2828(2) 0.0259(9) Uani 1 1 d . . . . .
C016 C -0.1098(5) 0.6209(4) 0.4661(2) 0.0477(12) Uani 1 1 d . . . . .
H01D H -0.1169 0.6348 0.5159 0.072 Uiso 1 1 calc R U . . .
H01E H -0.0410 0.6550 0.4468 0.072 Uiso 1 1 calc R U . . .
H01F H -0.0947 0.5564 0.4603 0.072 Uiso 1 1 calc R U . . .
C017 C 0.1810(4) 0.6069(3) 0.2752(2) 0.0278(9) Uani 1 1 d . . . . .
C018 C 0.0751(4) 0.3888(3) 0.1981(3) 0.0408(11) Uani 1 1 d . . . . .
H01G H 0.0557 0.3568 0.2412 0.061 Uiso 1 1 calc R U . . .
H01H H 0.1443 0.3590 0.1755 0.061 Uiso 1 1 calc R U . . .
H01I H 0.0029 0.3883 0.1665 0.061 Uiso 1 1 calc R U . . .
C019 C -0.0071(5) 0.8643(3) 0.1905(3) 0.0396(11) Uani 1 1 d . . . . .
H01J H -0.0931 0.8723 0.1731 0.048 Uiso 1 1 calc R U . . .
H01K H 0.0453 0.8485 0.1506 0.048 Uiso 1 1 calc R U . . .
C020 C 0.1428(4) 0.5502(3) 0.1655(2) 0.0274(9) Uani 1 1 d . . . . .
C021 C 0.1404(4) 0.5379(3) 0.0875(2) 0.0401(11) Uani 1 1 d . . . . .
H02A H 0.1678 0.5935 0.0651 0.060 Uiso 1 1 calc R U . . .
H02B H 0.0562 0.5237 0.0715 0.060 Uiso 1 1 calc R U . . .
H02C H 0.1957 0.4886 0.0751 0.060 Uiso 1 1 calc R U . . .
C022 C -0.0216(5) 0.8407(3) 0.3083(2) 0.0386(11) Uani 1 1 d . . . . .
H02D H 0.0108 0.8050 0.3482 0.046 Uiso 1 1 calc R U . . .
H02E H -0.1109 0.8512 0.3147 0.046 Uiso 1 1 calc R U . . .
C023 C 0.2474(4) 0.7076(3) 0.1707(2) 0.0337(10) Uani 1 1 d . . . . .
H02F H 0.2390 0.7599 0.2023 0.040 Uiso 1 1 calc R U . . .
H02G H 0.2046 0.7224 0.1259 0.040 Uiso 1 1 calc R U . . .
C024 C 0.1198(4) 0.4697(3) 0.3505(2) 0.0401(11) Uani 1 1 d . . . . .
H02H H 0.0823 0.4108 0.3412 0.060 Uiso 1 1 calc R U . . .
H02I H 0.0674 0.5041 0.3819 0.060 Uiso 1 1 calc R U . . .
H02J H 0.2015 0.4615 0.3724 0.060 Uiso 1 1 calc R U . . .
C025 C 0.2292(4) 0.6672(3) 0.3339(2) 0.0396(11) Uani 1 1 d . . . . .
H02K H 0.2586 0.7240 0.3143 0.059 Uiso 1 1 calc R U . . .
H02L H 0.2974 0.6370 0.3588 0.059 Uiso 1 1 calc R U . . .
H02M H 0.1626 0.6794 0.3664 0.059 Uiso 1 1 calc R U . . .
C026 C -0.3868(5) 0.5858(4) 0.4561(3) 0.0551(14) Uani 1 1 d . . . . .
H02N H -0.4643 0.6018 0.4320 0.083 Uiso 1 1 calc R U . . .
H02O H -0.3932 0.5991 0.5060 0.083 Uiso 1 1 calc R U . . .
H02P H -0.3705 0.5215 0.4499 0.083 Uiso 1 1 calc R U . . .
C027 C 0.0458(5) 0.9284(4) 0.3033(3) 0.0538(14) Uani 1 1 d . . . . .
H02Q H 0.1324 0.9221 0.3200 0.065 Uiso 1 1 calc R U . . .
H02R H 0.0049 0.9756 0.3310 0.065 Uiso 1 1 calc R U . . .
C028 C 0.0396(5) 0.9505(4) 0.2260(3) 0.0538(14) Uani 1 1 d . . . . .
H02S H 0.1222 0.9669 0.2089 0.065 Uiso 1 1 calc R U . . .
H02T H -0.0178 1.0010 0.2167 0.065 Uiso 1 1 calc R U . . .
C029 C 0.3841(5) 0.6910(4) 0.1574(3) 0.0587(16) Uani 1 1 d . . . . .
H02U H 0.4204 0.7449 0.1367 0.088 Uiso 1 1 calc R U . . .
H02V H 0.3926 0.6401 0.1253 0.088 Uiso 1 1 calc R U . . .
H02W H 0.4270 0.6773 0.2017 0.088 Uiso 1 1 calc R U . . .
O1 O -0.0010(3) 0.79451(19) 0.24336(15) 0.0304(6) Uani 1 1 d . . . . .
C001 C -0.2000(4) 0.4792(3) 0.2533(2) 0.0277(9) Uani 1 1 d . . . . .
H001 H -0.1851 0.4185 0.2663 0.033 Uiso 1 1 calc R U . . .
C002 C -0.2813(3) 0.7080(3) 0.2012(2) 0.0232(8) Uani 1 1 d . . . . .
H002 H -0.3081 0.7667 0.1887 0.028 Uiso 1 1 calc R U . . .
C003 C -0.2466(3) 0.6269(3) 0.3228(2) 0.0243(8) Uani 1 1 d . . . . .
C004 C -0.2124(4) 0.5352(3) 0.3118(2) 0.0289(9) Uani 1 1 d . . . . .
H004 H -0.1935 0.5048 0.3544 0.035 Uiso 1 1 calc R U . . .
C005 C -0.2540(3) 0.6553(3) 0.1408(2) 0.0240(8) Uani 1 1 d . . . . .
C006 C -0.2790(3) 0.6958(3) 0.27424(19) 0.0222(8) Uani 1 1 d . . . . .
H006 H -0.3068 0.7482 0.2975 0.027 Uiso 1 1 calc R U . . .
C007 C -0.2205(4) 0.5630(3) 0.1346(2) 0.0290(9) Uani 1 1 d . . . . .
H007 H -0.2055 0.5467 0.0876 0.035 Uiso 1 1 calc R U . . .
C008 C -0.2039(4) 0.4901(3) 0.1807(2) 0.0299(9) Uani 1 1 d . . . . .
H008 H -0.1928 0.4348 0.1567 0.036 Uiso 1 1 calc R U . . .
C009 C -0.3076(5) 0.8351(3) 0.0611(2) 0.0374(11) Uani 1 1 d . . . . .
H00A H -0.3120 0.8621 0.0144 0.056 Uiso 1 1 calc R U . . .
H00B H -0.2451 0.8666 0.0896 0.056 Uiso 1 1 calc R U . . .
H00C H -0.3881 0.8403 0.0831 0.056 Uiso 1 1 calc R U . . .
C010 C -0.3835(5) 0.6552(4) -0.0025(2) 0.0452(12) Uani 1 1 d . . . . .
H01L H -0.3894 0.6852 -0.0480 0.068 Uiso 1 1 calc R U . . .
H01M H -0.4636 0.6579 0.0202 0.068 Uiso 1 1 calc R U . . .
H01N H -0.3598 0.5923 -0.0091 0.068 Uiso 1 1 calc R U . . .
C011 C -0.1132(4) 0.7079(3) 0.0087(3) 0.0427(11) Uani 1 1 d . . . . .
H01O H -0.1204 0.7384 -0.0366 0.064 Uiso 1 1 calc R U . . .
H01P H -0.0901 0.6449 0.0015 0.064 Uiso 1 1 calc R U . . .
H01Q H -0.0497 0.7377 0.0376 0.064 Uiso 1 1 calc R U . . .
Si1 Si -0.26439(11) 0.71315(8) 0.05369(6) 0.0284(2) Uani 1 1 d . . . . .
Si2 Si -0.25720(11) 0.65267(8) 0.41876(6) 0.0304(3) Uani 1 1 d . . . . .
U1 U -0.06028(2) 0.62426(2) 0.23006(2) 0.01919(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C012 C017 1.420(6) . ?
C012 C020 1.423(6) . ?
C012 C023 1.506(5) . ?
C012 U1 2.742(3) . ?
C013 C020 1.413(6) . ?
C013 C015 1.417(6) . ?
C013 C018 1.506(5) . ?
C013 U1 2.797(4) . ?
C014 Si2 1.872(5) . ?
C014 H01A 0.9800 . ?
C014 H01B 0.9800 . ?
C014 H01C 0.9800 . ?
C015 C017 1.404(6) . ?
C015 C024 1.505(6) . ?
C015 U1 2.773(4) . ?
C016 Si2 1.881(5) . ?
C016 H01D 0.9800 . ?
C016 H01E 0.9800 . ?
C016 H01F 0.9800 . ?
C017 C025 1.522(6) . ?
C017 U1 2.750(4) . ?
C018 H01G 0.9800 . ?
C018 H01H 0.9800 . ?
C018 H01I 0.9800 . ?
C019 O1 1.451(5) . ?
C019 C028 1.531(7) . ?
C019 H01J 0.9900 . ?
C019 H01K 0.9900 . ?
C020 C021 1.505(6) . ?
C020 U1 2.775(4) . ?
C021 H02A 0.9800 . ?
C021 H02B 0.9800 . ?
C021 H02C 0.9800 . ?
C022 O1 1.442(5) . ?
C022 C027 1.498(7) . ?
C022 H02D 0.9900 . ?
C022 H02E 0.9900 . ?
C023 C029 1.530(6) . ?
C023 H02F 0.9900 . ?
C023 H02G 0.9900 . ?
C024 H02H 0.9800 . ?
C024 H02I 0.9800 . ?
C024 H02J 0.9800 . ?
C025 H02K 0.9800 . ?
C025 H02L 0.9800 . ?
C025 H02M 0.9800 . ?
C026 Si2 1.875(5) . ?
C026 H02N 0.9800 . ?
C026 H02O 0.9800 . ?
C026 H02P 0.9800 . ?
C027 C028 1.517(8) . ?
C027 H02Q 0.9900 . ?
C027 H02R 0.9900 . ?
C028 H02S 0.9900 . ?
C028 H02T 0.9900 . ?
C029 H02U 0.9800 . ?
C029 H02V 0.9800 . ?
C029 H02W 0.9800 . ?
O1 U1 2.623(3) . ?
C001 C008 1.399(6) . ?
C001 C004 1.405(6) . ?
C001 U1 2.677(4) . ?
C001 H001 0.9500 . ?
C002 C006 1.411(5) . ?
C002 C005 1.431(5) . ?
C002 U1 2.746(4) . ?
C002 H002 0.9500 . ?
C003 C006 1.422(5) . ?
C003 C004 1.430(6) . ?
C003 Si2 1.883(4) . ?
C003 U1 2.717(4) . ?
C004 U1 2.651(4) . ?
C004 H004 0.9500 . ?
C005 C007 1.425(6) . ?
C005 Si1 1.879(4) . ?
C005 U1 2.719(4) . ?
C006 U1 2.748(4) . ?
C006 H006 0.9500 . ?
C007 C008 1.407(6) . ?
C007 U1 2.656(4) . ?
C007 H007 0.9500 . ?
C008 U1 2.690(4) . ?
C008 H008 0.9500 . ?
C009 Si1 1.879(5) . ?
C009 H00A 0.9800 . ?
C009 H00B 0.9800 . ?
C009 H00C 0.9800 . ?
C010 Si1 1.873(5) . ?
C010 H01L 0.9800 . ?
C010 H01M 0.9800 . ?
C010 H01N 0.9800 . ?
C011 Si1 1.869(5) . ?
C011 H01O 0.9800 . ?
C011 H01P 0.9800 . ?
C011 H01Q 0.9800 . ?

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
C017 C012 C020 107.5(3) . . ?
C017 C012 C023 126.5(4) . . ?
C020 C012 C023 125.4(4) . . ?
C017 C012 U1 75.3(2) . . ?
C020 C012 U1 76.4(2) . . ?
C023 C012 U1 121.6(3) . . ?
C020 C013 C015 108.4(4) . . ?
C020 C013 C018 125.0(4) . . ?
C015 C013 C018 126.0(4) . . ?
C020 C013 U1 74.5(2) . . ?
C015 C013 U1 74.3(2) . . ?
C018 C013 U1 124.2(3) . . ?
Si2 C014 H01A 109.5 . . ?
Si2 C014 H01B 109.5 . . ?
H01A C014 H01B 109.5 . . ?
Si2 C014 H01C 109.5 . . ?
H01A C014 H01C 109.5 . . ?
H01B C014 H01C 109.5 . . ?
C017 C015 C013 107.8(3) . . ?
C017 C015 C024 126.0(4) . . ?
C013 C015 C024 125.8(4) . . ?
C017 C015 U1 74.4(2) . . ?
C013 C015 U1 76.2(2) . . ?
C024 C015 U1 120.7(3) . . ?
Si2 C016 H01D 109.5 . . ?
Si2 C016 H01E 109.5 . . ?
H01D C016 H01E 109.5 . . ?
Si2 C016 H01F 109.5 . . ?
H01D C016 H01F 109.5 . . ?
H01E C016 H01F 109.5 . . ?
C015 C017 C012 108.6(4) . . ?
C015 C017 C025 126.1(4) . . ?
C012 C017 C025 125.2(4) . . ?
C015 C017 U1 76.2(2) . . ?
C012 C017 U1 74.7(2) . . ?
C025 C017 U1 119.1(3) . . ?
C013 C018 H01G 109.5 . . ?
C013 C018 H01H 109.5 . . ?
H01G C018 H01H 109.5 . . ?
C013 C018 H01I 109.5 . . ?
H01G C018 H01I 109.5 . . ?
H01H C018 H01I 109.5 . . ?
O1 C019 C028 106.2(4) . . ?
O1 C019 H01J 110.5 . . ?
C028 C019 H01J 110.5 . . ?
O1 C019 H01K 110.5 . . ?
C028 C019 H01K 110.5 . . ?
H01J C019 H01K 108.7 . . ?
C013 C020 C012 107.7(3) . . ?
C013 C020 C021 125.7(4) . . ?
C012 C020 C021 126.4(4) . . ?
C013 C020 U1 76.2(2) . . ?
C012 C020 U1 73.8(2) . . ?
C021 C020 U1 119.5(3) . . ?
C020 C021 H02A 109.5 . . ?
C020 C021 H02B 109.5 . . ?
H02A C021 H02B 109.5 . . ?
C020 C021 H02C 109.5 . . ?
H02A C021 H02C 109.5 . . ?
H02B C021 H02C 109.5 . . ?
O1 C022 C027 106.0(4) . . ?
O1 C022 H02D 110.5 . . ?
C027 C022 H02D 110.5 . . ?
O1 C022 H02E 110.5 . . ?
C027 C022 H02E 110.5 . . ?
H02D C022 H02E 108.7 . . ?
C012 C023 C029 111.7(4) . . ?
C012 C023 H02F 109.3 . . ?
C029 C023 H02F 109.3 . . ?
C012 C023 H02G 109.3 . . ?
C029 C023 H02G 109.3 . . ?
H02F C023 H02G 107.9 . . ?
C015 C024 H02H 109.5 . . ?
C015 C024 H02I 109.5 . . ?
H02H C024 H02I 109.5 . . ?
C015 C024 H02J 109.5 . . ?
H02H C024 H02J 109.5 . . ?
H02I C024 H02J 109.5 . . ?
C017 C025 H02K 109.5 . . ?
C017 C025 H02L 109.5 . . ?
H02K C025 H02L 109.5 . . ?
C017 C025 H02M 109.5 . . ?
H02K C025 H02M 109.5 . . ?
H02L C025 H02M 109.5 . . ?
Si2 C026 H02N 109.5 . . ?
Si2 C026 H02O 109.5 . . ?
H02N C026 H02O 109.5 . . ?
Si2 C026 H02P 109.5 . . ?
H02N C026 H02P 109.5 . . ?
H02O C026 H02P 109.5 . . ?
C022 C027 C028 103.8(4) . . ?
C022 C027 H02Q 111.0 . . ?
C028 C027 H02Q 111.0 . . ?
C022 C027 H02R 111.0 . . ?
C028 C027 H02R 111.0 . . ?
H02Q C027 H02R 109.0 . . ?
C027 C028 C019 105.0(4) . . ?
C027 C028 H02S 110.7 . . ?
C019 C028 H02S 110.7 . . ?
C027 C028 H02T 110.7 . . ?
C019 C028 H02T 110.7 . . ?
H02S C028 H02T 108.8 . . ?
C023 C029 H02U 109.5 . . ?
C023 C029 H02V 109.5 . . ?
H02U C029 H02V 109.5 . . ?
C023 C029 H02W 109.5 . . ?
H02U C029 H02W 109.5 . . ?
H02V C029 H02W 109.5 . . ?
C022 O1 C019 104.8(3) . . ?
C022 O1 U1 120.1(2) . . ?
C019 O1 U1 128.0(2) . . ?
C008 C001 C004 136.3(4) . . ?
C008 C001 U1 75.4(2) . . ?
C004 C001 U1 73.7(2) . . ?
C008 C001 H001 111.8 . . ?
C004 C001 H001 111.8 . . ?
U1 C001 H001 135.7 . . ?
C006 C002 C005 137.0(4) . . ?
C006 C002 U1 75.2(2) . . ?
C005 C002 U1 73.8(2) . . ?
C006 C002 H002 111.5 . . ?
C005 C002 H002 111.5 . . ?
U1 C002 H002 136.8 . . ?
C006 C003 C004 130.7(4) . . ?
C006 C003 Si2 118.2(3) . . ?
C004 C003 Si2 111.0(3) . . ?
C006 C003 U1 76.1(2) . . ?
C004 C003 U1 72.0(2) . . ?
Si2 C003 U1 134.60(18) . . ?
C001 C004 C003 135.4(4) . . ?
C001 C004 U1 75.7(2) . . ?
C003 C004 U1 77.1(2) . . ?
C001 C004 H004 112.3 . . ?
C003 C004 H004 112.3 . . ?
U1 C004 H004 128.2 . . ?
C007 C005 C002 130.6(4) . . ?
C007 C005 Si1 112.1(3) . . ?
C002 C005 Si1 117.2(3) . . ?
C007 C005 U1 72.2(2) . . ?
C002 C005 U1 75.8(2) . . ?
Si1 C005 U1 131.84(19) . . ?
C002 C006 C003 137.7(4) . . ?
C002 C006 U1 75.0(2) . . ?
C003 C006 U1 73.7(2) . . ?
C002 C006 H006 111.1 . . ?
C003 C006 H006 111.1 . . ?
U1 C006 H006 138.3 . . ?
C008 C007 C005 136.0(4) . . ?
C008 C007 U1 76.1(2) . . ?
C005 C007 U1 77.1(2) . . ?
C008 C007 H007 112.0 . . ?
C005 C007 H007 112.0 . . ?
U1 C007 H007 128.2 . . ?
C001 C008 C007 135.4(4) . . ?
C001 C008 U1 74.4(2) . . ?
C007 C008 U1 73.4(2) . . ?
C001 C008 H008 112.3 . . ?
C007 C008 H008 112.3 . . ?
U1 C008 H008 137.1 . . ?
Si1 C009 H00A 109.5 . . ?
Si1 C009 H00B 109.5 . . ?
H00A C009 H00B 109.5 . . ?
Si1 C009 H00C 109.5 . . ?
H00A C009 H00C 109.5 . . ?
H00B C009 H00C 109.5 . . ?
Si1 C010 H01L 109.5 . . ?
Si1 C010 H01M 109.5 . . ?
H01L C010 H01M 109.5 . . ?
Si1 C010 H01N 109.5 . . ?
H01L C010 H01N 109.5 . . ?
H01M C010 H01N 109.5 . . ?
Si1 C011 H01O 109.5 . . ?
Si1 C011 H01P 109.5 . . ?
H01O C011 H01P 109.5 . . ?
Si1 C011 H01Q 109.5 . . ?
H01O C011 H01Q 109.5 . . ?
H01P C011 H01Q 109.5 . . ?
C011 Si1 C010 108.5(2) . . ?
C011 Si1 C005 110.7(2) . . ?
C010 Si1 C005 109.1(2) . . ?
C011 Si1 C009 107.3(2) . . ?
C010 Si1 C009 108.5(2) . . ?
C005 Si1 C009 112.65(19) . . ?
C026 Si2 C014 108.2(2) . . ?
C026 Si2 C003 109.0(2) . . ?
C014 Si2 C003 113.1(2) . . ?
C026 Si2 C016 108.6(3) . . ?
C014 Si2 C016 107.3(2) . . ?
C003 Si2 C016 110.6(2) . . ?
O1 U1 C004 125.36(11) . . ?
O1 U1 C007 123.57(11) . . ?
C004 U1 C007 80.19(13) . . ?
O1 U1 C001 154.09(11) . . ?
C004 U1 C001 30.57(12) . . ?
C007 U1 C001 58.29(13) . . ?
O1 U1 C008 152.71(11) . . ?
C004 U1 C008 58.32(13) . . ?
C007 U1 C008 30.52(13) . . ?
C001 U1 C008 30.22(12) . . ?
O1 U1 C003 96.11(11) . . ?
C004 U1 C003 30.86(12) . . ?
C007 U1 C003 88.32(12) . . ?
C001 U1 C003 58.17(12) . . ?
C008 U1 C003 78.93(12) . . ?
O1 U1 C005 94.68(11) . . ?
C004 U1 C005 88.52(13) . . ?
C007 U1 C005 30.72(12) . . ?
C001 U1 C005 78.99(13) . . ?
C008 U1 C005 58.08(13) . . ?
C003 U1 C005 80.40(12) . . ?
O1 U1 C012 76.48(10) . . ?
C004 U1 C012 137.89(12) . . ?
C007 U1 C012 120.10(12) . . ?
C001 U1 C012 126.98(12) . . ?
C008 U1 C012 120.30(12) . . ?
C003 U1 C012 150.13(12) . . ?
C005 U1 C012 128.57(12) . . ?
O1 U1 C006 78.92(10) . . ?
C004 U1 C006 57.34(12) . . ?
C007 U1 C006 77.80(12) . . ?
C001 U1 C006 76.46(12) . . ?
C008 U1 C006 84.17(12) . . ?
C003 U1 C006 30.16(11) . . ?
C005 U1 C006 57.83(11) . . ?
C012 U1 C006 155.01(11) . . ?
O1 U1 C002 78.07(10) . . ?
C004 U1 C002 78.15(12) . . ?
C007 U1 C002 57.41(12) . . ?
C001 U1 C002 84.51(12) . . ?
C008 U1 C002 76.64(12) . . ?
C003 U1 C002 57.84(12) . . ?
C005 U1 C002 30.36(11) . . ?
C012 U1 C002 143.87(11) . . ?
C006 U1 C002 29.76(11) . . ?
O1 U1 C017 80.24(11) . . ?
C004 U1 C017 111.52(13) . . ?
C007 U1 C017 142.01(12) . . ?
C001 U1 C017 114.20(12) . . ?
C008 U1 C017 125.50(12) . . ?
C003 U1 C017 120.75(12) . . ?
C005 U1 C017 158.52(12) . . ?
C012 U1 C017 29.96(12) . . ?
C006 U1 C017 139.54(12) . . ?
C002 U1 C017 157.85(12) . . ?
O1 U1 C015 108.82(11) . . ?
C004 U1 C015 88.77(12) . . ?
C007 U1 C015 122.39(13) . . ?
C001 U1 C015 85.05(12) . . ?
C008 U1 C015 98.03(13) . . ?
C003 U1 C015 109.53(12) . . ?
C005 U1 C015 152.81(12) . . ?
C012 U1 C015 49.13(11) . . ?
C006 U1 C015 138.75(11) . . ?
C002 U1 C015 166.81(11) . . ?
C017 U1 C015 29.45(12) . . ?

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
C020 C013 C015 C017 -1.0(4) . . . . ?
C018 C013 C015 C017 170.5(4) . . . . ?
U1 C013 C015 C017 -68.3(3) . . . . ?
C020 C013 C015 C024 -174.6(4) . . . . ?
C018 C013 C015 C024 -3.1(6) . . . . ?
U1 C013 C015 C024 118.1(4) . . . . ?
C020 C013 C015 U1 67.3(3) . . . . ?
C018 C013 C015 U1 -121.2(4) . . . . ?
C013 C015 C017 C012 1.2(4) . . . . ?
C024 C015 C017 C012 174.8(4) . . . . ?
U1 C015 C017 C012 -68.3(3) . . . . ?
C013 C015 C017 C025 -174.4(4) . . . . ?
C024 C015 C017 C025 -0.8(7) . . . . ?
U1 C015 C017 C025 116.1(4) . . . . ?
C013 C015 C017 U1 69.5(3) . . . . ?
C024 C015 C017 U1 -116.9(4) . . . . ?
C020 C012 C017 C015 -0.9(4) . . . . ?
C023 C012 C017 C015 -172.0(4) . . . . ?
U1 C012 C017 C015 69.3(3) . . . . ?
C020 C012 C017 C025 174.7(4) . . . . ?
C023 C012 C017 C025 3.6(6) . . . . ?
U1 C012 C017 C025 -115.1(4) . . . . ?
C020 C012 C017 U1 -70.2(3) . . . . ?
C023 C012 C017 U1 118.7(4) . . . . ?
C015 C013 C020 C012 0.4(4) . . . . ?
C018 C013 C020 C012 -171.2(4) . . . . ?
U1 C013 C020 C012 67.6(3) . . . . ?
C015 C013 C020 C021 176.2(4) . . . . ?
C018 C013 C020 C021 4.6(6) . . . . ?
U1 C013 C020 C021 -116.6(4) . . . . ?
C015 C013 C020 U1 -67.2(3) . . . . ?
C018 C013 C020 U1 121.2(4) . . . . ?
C017 C012 C020 C013 0.3(4) . . . . ?
C023 C012 C020 C013 171.5(4) . . . . ?
U1 C012 C020 C013 -69.2(3) . . . . ?
C017 C012 C020 C021 -175.4(4) . . . . ?
C023 C012 C020 C021 -4.2(6) . . . . ?
U1 C012 C020 C021 115.0(4) . . . . ?
C017 C012 C020 U1 69.5(3) . . . . ?
C023 C012 C020 U1 -119.3(4) . . . . ?
C017 C012 C023 C029 87.9(5) . . . . ?
C020 C012 C023 C029 -81.7(5) . . . . ?
U1 C012 C023 C029 -177.2(3) . . . . ?
O1 C022 C027 C028 31.1(5) . . . . ?
C022 C027 C028 C019 -11.5(6) . . . . ?
O1 C019 C028 C027 -11.4(5) . . . . ?
C027 C022 O1 C019 -39.1(5) . . . . ?
C027 C022 O1 U1 168.3(3) . . . . ?
C028 C019 O1 C022 31.0(5) . . . . ?
C028 C019 O1 U1 -179.3(3) . . . . ?
C008 C001 C004 C003 7.5(8) . . . . ?
U1 C001 C004 C003 54.2(5) . . . . ?
C008 C001 C004 U1 -46.7(5) . . . . ?
C006 C003 C004 C001 -1.4(8) . . . . ?
Si2 C003 C004 C001 174.5(4) . . . . ?
U1 C003 C004 C001 -53.7(5) . . . . ?
C006 C003 C004 U1 52.3(4) . . . . ?
Si2 C003 C004 U1 -131.8(2) . . . . ?
C006 C002 C005 C007 5.2(8) . . . . ?
U1 C002 C005 C007 50.8(4) . . . . ?
C006 C002 C005 Si1 -175.6(4) . . . . ?
U1 C002 C005 Si1 -130.1(3) . . . . ?
C006 C002 C005 U1 -45.5(5) . . . . ?
C005 C002 C006 C003 1.6(8) . . . . ?
U1 C002 C006 C003 -43.5(5) . . . . ?
C005 C002 C006 U1 45.1(4) . . . . ?
C004 C003 C006 C002 -7.0(8) . . . . ?
Si2 C003 C006 C002 177.4(4) . . . . ?
U1 C003 C006 C002 43.9(5) . . . . ?
C004 C003 C006 U1 -50.8(4) . . . . ?
Si2 C003 C006 U1 133.5(2) . . . . ?
C002 C005 C007 C008 1.7(8) . . . . ?
Si1 C005 C007 C008 -177.5(4) . . . . ?
U1 C005 C007 C008 53.8(5) . . . . ?
C002 C005 C007 U1 -52.1(4) . . . . ?
Si1 C005 C007 U1 128.7(2) . . . . ?
C004 C001 C008 C007 1.2(9) . . . . ?
U1 C001 C008 C007 -45.0(5) . . . . ?
C004 C001 C008 U1 46.2(5) . . . . ?
C005 C007 C008 C001 -8.8(9) . . . . ?
U1 C007 C008 C001 45.3(5) . . . . ?
C005 C007 C008 U1 -54.1(5) . . . . ?
C007 C005 Si1 C011 -59.5(3) . . . . ?
C002 C005 Si1 C011 121.2(3) . . . . ?
U1 C005 Si1 C011 25.9(3) . . . . ?
C007 C005 Si1 C010 59.8(3) . . . . ?
C002 C005 Si1 C010 -119.5(3) . . . . ?
U1 C005 Si1 C010 145.3(3) . . . . ?
C007 C005 Si1 C009 -179.6(3) . . . . ?
C002 C005 Si1 C009 1.1(4) . . . . ?
U1 C005 Si1 C009 -94.2(3) . . . . ?
C006 C003 Si2 C026 111.1(3) . . . . ?
C004 C003 Si2 C026 -65.3(3) . . . . ?
U1 C003 Si2 C026 -150.4(3) . . . . ?
C006 C003 Si2 C014 -9.3(4) . . . . ?
C004 C003 Si2 C014 174.3(3) . . . . ?
U1 C003 Si2 C014 89.2(3) . . . . ?
C006 C003 Si2 C016 -129.6(3) . . . . ?
C004 C003 Si2 C016 53.9(3) . . . . ?
U1 C003 Si2 C016 -31.2(4) . . . . ?

_refine_diff_density_max         1.122
_refine_diff_density_min         -0.893
_refine_diff_density_rms         0.111

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 1000008'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_3

_audit_creation_method           SHELXL-97
_chemical_name_systematic        3
_chemical_name_common            3
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H51 O Si2 U'
_chemical_formula_sum            'C30 H51 O Si2 U'
_chemical_formula_weight         721.92
_chemical_compound_source        'synthesis as described'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/n
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.789(2)
_cell_length_b                   18.961(4)
_cell_length_c                   14.176(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.89(3)
_cell_angle_gamma                90.00
_cell_volume                     3145.8(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    29901
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Plate
_exptl_crystal_colour            Brown
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1436
_exptl_absorpt_coefficient_mu    5.255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6785
_exptl_absorpt_correction_T_max  0.9022
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            44011
_diffrn_reflns_av_R_equivalents  0.0799
_diffrn_reflns_av_sigmaI/netI    0.0503
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.39
_diffrn_reflns_theta_max         27.47
_reflns_number_total             7194
_reflns_number_gt                5675
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
;         
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
;
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0346P)²+5.2063P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7194
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0363
_refine_ls_wR_factor_ref         0.0796
_refine_ls_wR_factor_gt          0.0732
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5072(4) 0.3264(2) 0.7675(3) 0.0234(10) Uani 1 1 d . . .
C2 C 0.6175(4) 0.3492(2) 0.7487(3) 0.0256(10) Uani 1 1 d . . .
H2 H 0.6158 0.3963 0.7256 0.031 Uiso 1 1 calc R . .
C3 C 0.7285(4) 0.3204(3) 0.7555(3) 0.0274(10) Uani 1 1 d . . .
H3 H 0.7838 0.3535 0.7396 0.033 Uiso 1 1 calc R . .
C4 C 0.7758(4) 0.2542(3) 0.7802(3) 0.0269(10) Uani 1 1 d . . .
H4 H 0.8566 0.2541 0.7820 0.032 Uiso 1 1 calc R . .
C5 C 0.7329(4) 0.1877(2) 0.8031(3) 0.0242(10) Uani 1 1 d . . .
H5 H 0.7917 0.1532 0.8113 0.029 Uiso 1 1 calc R . .
C6 C 0.6252(4) 0.1586(2) 0.8173(3) 0.0247(10) Uani 1 1 d . . .
C7 C 0.5160(4) 0.1921(3) 0.8156(3) 0.0249(10) Uani 1 1 d . . .
H7 H 0.4594 0.1598 0.8307 0.030 Uiso 1 1 calc R . .
C8 C 0.4700(4) 0.2596(2) 0.7977(3) 0.0250(10) Uani 1 1 d . . .
H8 H 0.3922 0.2612 0.8089 0.030 Uiso 1 1 calc R . .
C9 C 0.4475(6) 0.4616(3) 0.8662(5) 0.0626(19) Uani 1 1 d . . .
H9A H 0.3938 0.5011 0.8652 0.094 Uiso 1 1 calc R . .
H9B H 0.5244 0.4797 0.8612 0.094 Uiso 1 1 calc R . .
H9C H 0.4477 0.4354 0.9258 0.094 Uiso 1 1 calc R . .
C10 C 0.2537(4) 0.3716(3) 0.7731(4) 0.0460(14) Uani 1 1 d . . .
H10A H 0.2028 0.4126 0.7706 0.069 Uiso 1 1 calc R . .
H10B H 0.2515 0.3468 0.8335 0.069 Uiso 1 1 calc R . .
H10C H 0.2284 0.3397 0.7204 0.069 Uiso 1 1 calc R . .
C11 C 0.4018(5) 0.4552(3) 0.6531(4) 0.0446(14) Uani 1 1 d . . .
H11A H 0.3461 0.4935 0.6538 0.067 Uiso 1 1 calc R . .
H11B H 0.3806 0.4251 0.5975 0.067 Uiso 1 1 calc R . .
H11C H 0.4780 0.4750 0.6500 0.067 Uiso 1 1 calc R . .
C12 C 0.5048(5) 0.0137(3) 0.7930(4) 0.0430(14) Uani 1 1 d . . .
H12A H 0.5067 -0.0349 0.8168 0.065 Uiso 1 1 calc R . .
H12B H 0.5133 0.0135 0.7251 0.065 Uiso 1 1 calc R . .
H12C H 0.4316 0.0355 0.8026 0.065 Uiso 1 1 calc R . .
C13 C 0.7616(5) 0.0186(3) 0.8453(4) 0.0492(15) Uani 1 1 d . . .
H13A H 0.7577 -0.0300 0.8683 0.074 Uiso 1 1 calc R . .
H13B H 0.8251 0.0432 0.8823 0.074 Uiso 1 1 calc R . .
H13C H 0.7737 0.0181 0.7781 0.074 Uiso 1 1 calc R . .
C14 C 0.6086(5) 0.0671(3) 0.9886(4) 0.0399(13) Uani 1 1 d . . .
H14A H 0.6080 0.0188 1.0129 0.060 Uiso 1 1 calc R . .
H14B H 0.5367 0.0906 0.9980 0.060 Uiso 1 1 calc R . .
H14C H 0.6727 0.0931 1.0228 0.060 Uiso 1 1 calc R . .
C15 C 0.7778(4) 0.1754(3) 0.5615(3) 0.0284(11) Uani 1 1 d . . .
C16 C 0.6836(4) 0.1312(3) 0.5292(3) 0.0269(10) Uani 1 1 d . . .
C17 C 0.6034(4) 0.1723(3) 0.4710(3) 0.0263(10) Uani 1 1 d . . .
C18 C 0.6463(4) 0.2423(2) 0.4675(3) 0.0251(10) Uani 1 1 d . . .
C19 C 0.7562(4) 0.2443(3) 0.5227(3) 0.0291(11) Uani 1 1 d . . .
C20 C 0.8413(4) 0.3036(3) 0.5335(4) 0.0379(13) Uani 1 1 d . . .
H20A H 0.9085 0.2892 0.5766 0.057 Uiso 1 1 calc R . .
H20B H 0.8065 0.3451 0.5596 0.057 Uiso 1 1 calc R . .
H20C H 0.8645 0.3154 0.4712 0.057 Uiso 1 1 calc R . .
C21 C 0.4987(4) 0.1432(3) 0.4113(3) 0.0333(11) Uani 1 1 d . . .
H21A H 0.4565 0.1819 0.3774 0.050 Uiso 1 1 calc R . .
H21B H 0.4496 0.1195 0.4526 0.050 Uiso 1 1 calc R . .
H21C H 0.5224 0.1092 0.3653 0.050 Uiso 1 1 calc R . .
C22 C 0.6785(5) 0.0531(3) 0.5454(4) 0.0411(13) Uani 1 1 d . . .
H22A H 0.6047 0.0349 0.5162 0.062 Uiso 1 1 calc R . .
H22B H 0.6870 0.0435 0.6138 0.062 Uiso 1 1 calc R . .
H22C H 0.7403 0.0299 0.5168 0.062 Uiso 1 1 calc R . .
C23 C 0.8898(4) 0.1508(3) 0.6137(4) 0.0425(14) Uani 1 1 d . . .
H23A H 0.9404 0.1914 0.6280 0.064 Uiso 1 1 calc R . .
H23B H 0.9259 0.1173 0.5738 0.064 Uiso 1 1 calc R . .
H23C H 0.8760 0.1276 0.6730 0.064 Uiso 1 1 calc R . .
C24 C 0.5575(5) 0.3649(3) 0.4693(4) 0.0416(13) Uani 1 1 d . . .
H24A H 0.5187 0.4011 0.4279 0.062 Uiso 1 1 calc R . .
H24B H 0.6282 0.3844 0.5026 0.062 Uiso 1 1 calc R . .
H24C H 0.5074 0.3496 0.5158 0.062 Uiso 1 1 calc R . .
C25 C 0.5858(4) 0.3020(3) 0.4095(3) 0.0319(11) Uani 1 1 d . . .
H25 H 0.5110 0.2825 0.3800 0.038 Uiso 1 1 calc R . .
C26 C 0.6502(6) 0.3254(3) 0.3275(4) 0.0512(16) Uani 1 1 d . . .
H26A H 0.6080 0.3635 0.2923 0.077 Uiso 1 1 calc R . .
H26B H 0.6575 0.2854 0.2849 0.077 Uiso 1 1 calc R . .
H26C H 0.7264 0.3423 0.3529 0.077 Uiso 1 1 calc R . .
C27 C 0.3260(4) 0.1367(3) 0.5990(4) 0.0404(13) Uani 1 1 d . . .
H27A H 0.3094 0.1313 0.6654 0.048 Uiso 1 1 calc R . .
H27B H 0.3726 0.0962 0.5824 0.048 Uiso 1 1 calc R . .
C28 C 0.2162(5) 0.1417(3) 0.5316(4) 0.0473(15) Uani 1 1 d . . .
H28A H 0.2282 0.1271 0.4665 0.057 Uiso 1 1 calc R . .
H28B H 0.1552 0.1122 0.5537 0.057 Uiso 1 1 calc R . .
C29 C 0.1877(4) 0.2190(3) 0.5356(4) 0.0417(14) Uani 1 1 d . . .
H29A H 0.1469 0.2296 0.5911 0.050 Uiso 1 1 calc R . .
H29B H 0.1401 0.2343 0.4769 0.050 Uiso 1 1 calc R . .
C30 C 0.3035(4) 0.2541(3) 0.5451(4) 0.0348(12) Uani 1 1 d . . .
H30A H 0.3230 0.2689 0.4820 0.042 Uiso 1 1 calc R . .
H30B H 0.3039 0.2963 0.5862 0.042 Uiso 1 1 calc R . .
Si1 Si 0.62449(12) 0.06518(7) 0.85909(10) 0.0292(3) Uani 1 1 d . . .
Si2 Si 0.40283(12) 0.40147(7) 0.76348(10) 0.0304(3) Uani 1 1 d . . .
U1 U 0.595621(13) 0.227436(9) 0.650980(11) 0.02099(6) Uani 1 1 d . . .
O1 O 0.3845(3) 0.20234(18) 0.5870(2) 0.0317(8) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C8 1.422(6) . ?
C1 C2 1.426(6) . ?
C1 Si2 1.878(5) . ?
C1 U1 2.784(4) . ?
C2 C3 1.410(6) . ?
C2 U1 2.690(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.401(7) . ?
C3 U1 2.684(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.411(7) . ?
C4 U1 2.682(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.421(6) . ?
C5 U1 2.646(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.433(6) . ?
C6 Si1 1.869(5) . ?
C6 U1 2.680(4) . ?
C7 C8 1.401(7) . ?
C7 U1 2.702(4) . ?
C7 H7 0.9500 . ?
C8 U1 2.762(5) . ?
C8 H8 0.9500 . ?
C9 Si2 1.874(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si2 1.868(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si2 1.866(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si1 1.873(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si1 1.873(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 Si1 1.868(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.423(7) . ?
C15 C19 1.428(7) . ?
C15 C23 1.509(6) . ?
C15 U1 2.801(4) . ?
C16 C17 1.412(6) . ?
C16 C22 1.500(7) . ?
C16 U1 2.796(4) . ?
C17 C18 1.424(6) . ?
C17 C21 1.514(6) . ?
C17 U1 2.769(4) . ?
C18 C19 1.432(7) . ?
C18 C25 1.525(7) . ?
C18 U1 2.752(5) . ?
C19 C20 1.503(7) . ?
C19 U1 2.796(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.522(7) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.529(7) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 O1 1.442(6) . ?
C27 C28 1.517(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.507(8) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.510(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 O1 1.447(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
U1 O1 2.589(3) . ?

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
C8 C1 C2 130.4(4) . . ?
C8 C1 Si2 117.4(3) . . ?
C2 C1 Si2 111.9(3) . . ?
C8 C1 U1 74.3(3) . . ?
C2 C1 U1 71.3(2) . . ?
Si2 C1 U1 141.6(2) . . ?
C3 C2 C1 136.8(4) . . ?
C3 C2 U1 74.5(3) . . ?
C1 C2 U1 78.6(3) . . ?
C3 C2 H2 111.6 . . ?
C1 C2 H2 111.6 . . ?
U1 C2 H2 129.2 . . ?
C4 C3 C2 134.6(4) . . ?
C4 C3 U1 74.8(3) . . ?
C2 C3 U1 75.0(3) . . ?
C4 C3 H3 112.7 . . ?
C2 C3 H3 112.7 . . ?
U1 C3 H3 132.4 . . ?
C3 C4 C5 135.7(4) . . ?
C3 C4 U1 74.9(3) . . ?
C5 C4 U1 73.3(2) . . ?
C3 C4 H4 112.1 . . ?
C5 C4 H4 112.1 . . ?
U1 C4 H4 136.6 . . ?
C4 C5 C6 136.9(4) . . ?
C4 C5 U1 76.0(3) . . ?
C6 C5 U1 75.9(3) . . ?
C4 C5 H5 111.5 . . ?
C6 C5 H5 111.5 . . ?
U1 C5 H5 131.4 . . ?
C5 C6 C7 129.9(4) . . ?
C5 C6 Si1 116.8(3) . . ?
C7 C6 Si1 112.8(3) . . ?
C5 C6 U1 73.2(2) . . ?
C7 C6 U1 75.4(2) . . ?
Si1 C6 U1 137.4(2) . . ?
C8 C7 C6 137.3(4) . . ?
C8 C7 U1 77.6(3) . . ?
C6 C7 U1 73.7(2) . . ?
C8 C7 H7 111.3 . . ?
C6 C7 H7 111.3 . . ?
U1 C7 H7 132.9 . . ?
C7 C8 C1 137.8(4) . . ?
C7 C8 U1 72.8(3) . . ?
C1 C8 U1 76.0(3) . . ?
C7 C8 H8 111.1 . . ?
C1 C8 H8 111.1 . . ?
U1 C8 H8 138.4 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C19 108.6(4) . . ?
C16 C15 C23 125.3(5) . . ?
C19 C15 C23 125.2(5) . . ?
C16 C15 U1 75.1(3) . . ?
C19 C15 U1 75.0(3) . . ?
C23 C15 U1 124.1(3) . . ?
C17 C16 C15 107.8(4) . . ?
C17 C16 C22 126.6(4) . . ?
C15 C16 C22 125.2(4) . . ?
C17 C16 U1 74.3(3) . . ?
C15 C16 U1 75.5(3) . . ?
C22 C16 U1 121.6(3) . . ?
C16 C17 C18 108.6(4) . . ?
C16 C17 C21 124.7(4) . . ?
C18 C17 C21 126.1(4) . . ?
C16 C17 U1 76.3(3) . . ?
C18 C17 U1 74.4(3) . . ?
C21 C17 U1 122.5(3) . . ?
C17 C18 C19 108.0(4) . . ?
C17 C18 C25 124.5(4) . . ?
C19 C18 C25 127.5(4) . . ?
C17 C18 U1 75.7(2) . . ?
C19 C18 U1 76.8(3) . . ?
C25 C18 U1 116.4(3) . . ?
C15 C19 C18 107.0(4) . . ?
C15 C19 C20 124.0(5) . . ?
C18 C19 C20 128.7(5) . . ?
C15 C19 U1 75.4(3) . . ?
C18 C19 U1 73.3(3) . . ?
C20 C19 U1 121.1(3) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C16 C22 H22A 109.5 . . ?
C16 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C16 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C15 C23 H23A 109.5 . . ?
C15 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C15 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 H24A 109.5 . . ?
C25 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C25 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C24 C25 C18 113.6(4) . . ?
C24 C25 C26 111.0(4) . . ?
C18 C25 C26 112.5(4) . . ?
C24 C25 H25 106.4 . . ?
C18 C25 H25 106.4 . . ?
C26 C25 H25 106.4 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O1 C27 C28 104.9(4) . . ?
O1 C27 H27A 110.8 . . ?
C28 C27 H27A 110.8 . . ?
O1 C27 H27B 110.8 . . ?
C28 C27 H27B 110.8 . . ?
H27A C27 H27B 108.8 . . ?
C29 C28 C27 102.3(5) . . ?
C29 C28 H28A 111.3 . . ?
C27 C28 H28A 111.3 . . ?
C29 C28 H28B 111.3 . . ?
C27 C28 H28B 111.3 . . ?
H28A C28 H28B 109.2 . . ?
C28 C29 C30 103.3(4) . . ?
C28 C29 H29A 111.1 . . ?
C30 C29 H29A 111.1 . . ?
C28 C29 H29B 111.1 . . ?
C30 C29 H29B 111.1 . . ?
H29A C29 H29B 109.1 . . ?
O1 C30 C29 106.3(4) . . ?
O1 C30 H30A 110.5 . . ?
C29 C30 H30A 110.5 . . ?
O1 C30 H30B 110.5 . . ?
C29 C30 H30B 110.5 . . ?
H30A C30 H30B 108.7 . . ?
C14 Si1 C6 107.3(2) . . ?
C14 Si1 C13 107.5(3) . . ?
C6 Si1 C13 112.2(2) . . ?
C14 Si1 C12 110.1(3) . . ?
C6 Si1 C12 111.6(2) . . ?
C13 Si1 C12 108.0(3) . . ?
C11 Si2 C10 108.4(3) . . ?
C11 Si2 C9 107.0(3) . . ?
C10 Si2 C9 107.9(3) . . ?
C11 Si2 C1 112.2(2) . . ?
C10 Si2 C1 112.8(2) . . ?
C9 Si2 C1 108.4(3) . . ?
O1 U1 C5 134.55(13) . . ?
O1 U1 C6 103.69(12) . . ?
C5 U1 C6 30.93(13) . . ?
O1 U1 C4 157.43(13) . . ?
C5 U1 C4 30.70(14) . . ?
C6 U1 C4 58.84(14) . . ?
O1 U1 C3 141.92(13) . . ?
C5 U1 C3 58.50(14) . . ?
C6 U1 C3 80.14(14) . . ?
C4 U1 C3 30.27(14) . . ?
O1 U1 C2 111.53(12) . . ?
C5 U1 C2 79.22(14) . . ?
C6 U1 C2 88.32(14) . . ?
C4 U1 C2 57.74(14) . . ?
C3 U1 C2 30.43(13) . . ?
O1 U1 C7 80.67(12) . . ?
C5 U1 C7 57.82(13) . . ?
C6 U1 C7 30.89(13) . . ?
C4 U1 C7 77.63(14) . . ?
C3 U1 C7 85.78(14) . . ?
C2 U1 C7 77.86(14) . . ?
O1 U1 C18 89.80(12) . . ?
C5 U1 C18 128.21(14) . . ?
C6 U1 C18 149.41(14) . . ?
C4 U1 C18 112.48(14) . . ?
C3 U1 C18 106.02(14) . . ?
C2 U1 C18 112.38(14) . . ?
C7 U1 C18 168.20(14) . . ?
O1 U1 C8 74.01(12) . . ?
C5 U1 C8 77.28(14) . . ?
C6 U1 C8 58.02(14) . . ?
C4 U1 C8 84.03(14) . . ?
C3 U1 C8 76.67(14) . . ?
C2 U1 C8 56.59(13) . . ?
C7 U1 C8 29.69(14) . . ?
C18 U1 C8 152.35(14) . . ?
O1 U1 C17 75.20(12) . . ?
C5 U1 C17 123.98(14) . . ?
C6 U1 C17 127.67(15) . . ?
C4 U1 C17 126.15(14) . . ?
C3 U1 C17 132.47(13) . . ?
C2 U1 C17 141.94(14) . . ?
C7 U1 C17 139.06(14) . . ?
C18 U1 C17 29.89(13) . . ?
C8 U1 C17 149.00(14) . . ?
O1 U1 C1 85.35(12) . . ?
C5 U1 C1 86.79(13) . . ?
C6 U1 C1 79.90(14) . . ?
C4 U1 C1 77.83(14) . . ?
C3 U1 C1 57.65(13) . . ?
C2 U1 C1 30.15(13) . . ?
C7 U1 C1 57.36(14) . . ?
C18 U1 C1 129.15(13) . . ?
C8 U1 C1 29.71(13) . . ?
C17 U1 C1 149.05(13) . . ?
O1 U1 C19 119.41(13) . . ?
C5 U1 C19 99.60(14) . . ?
C6 U1 C19 126.92(14) . . ?
C4 U1 C19 83.10(14) . . ?
C3 U1 C19 83.54(14) . . ?
C2 U1 C19 101.88(14) . . ?
C7 U1 C19 157.28(14) . . ?
C18 U1 C19 29.91(14) . . ?
C8 U1 C19 158.46(15) . . ?
C17 U1 C19 49.05(14) . . ?
C1 U1 C19 129.77(14) . . ?
C27 O1 C30 109.4(4) . . ?
C27 O1 U1 124.8(3) . . ?
C30 O1 U1 125.3(3) . . ?

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
C8 C1 C2 C3 -3.7(9) . . . . ?
Si2 C1 C2 C3 168.8(5) . . . . ?
U1 C1 C2 C3 -52.2(5) . . . . ?
C8 C1 C2 U1 48.5(5) . . . . ?
Si2 C1 C2 U1 -139.0(2) . . . . ?
C1 C2 C3 C4 3.6(10) . . . . ?
U1 C2 C3 C4 -49.9(5) . . . . ?
C1 C2 C3 U1 53.5(6) . . . . ?
C2 C3 C4 C5 4.6(10) . . . . ?
U1 C3 C4 C5 -45.3(5) . . . . ?
C2 C3 C4 U1 49.9(5) . . . . ?
C3 C4 C5 C6 -4.8(10) . . . . ?
U1 C4 C5 C6 -50.6(5) . . . . ?
C3 C4 C5 U1 45.8(5) . . . . ?
C4 C5 C6 C7 -2.7(9) . . . . ?
U1 C5 C6 C7 -53.4(5) . . . . ?
C4 C5 C6 Si1 -174.2(4) . . . . ?
U1 C5 C6 Si1 135.1(3) . . . . ?
C4 C5 C6 U1 50.7(5) . . . . ?
C5 C6 C7 C8 3.0(9) . . . . ?
Si1 C6 C7 C8 174.7(5) . . . . ?
U1 C6 C7 C8 -49.6(5) . . . . ?
C5 C6 C7 U1 52.6(5) . . . . ?
Si1 C6 C7 U1 -135.6(3) . . . . ?
C6 C7 C8 C1 4.5(10) . . . . ?
U1 C7 C8 C1 -44.0(6) . . . . ?
C6 C7 C8 U1 48.5(5) . . . . ?
C2 C1 C8 C7 -4.4(9) . . . . ?
Si2 C1 C8 C7 -176.5(5) . . . . ?
U1 C1 C8 C7 43.1(6) . . . . ?
C2 C1 C8 U1 -47.4(5) . . . . ?
Si2 C1 C8 U1 140.4(3) . . . . ?
C19 C15 C16 C17 -0.3(5) . . . . ?
C23 C15 C16 C17 -170.6(4) . . . . ?
U1 C15 C16 C17 67.8(3) . . . . ?
C19 C15 C16 C22 173.1(4) . . . . ?
C23 C15 C16 C22 2.8(7) . . . . ?
U1 C15 C16 C22 -118.7(4) . . . . ?
C19 C15 C16 U1 -68.2(3) . . . . ?
C23 C15 C16 U1 121.5(4) . . . . ?
C15 C16 C17 C18 -0.6(5) . . . . ?
C22 C16 C17 C18 -173.9(4) . . . . ?
U1 C16 C17 C18 68.0(3) . . . . ?
C15 C16 C17 C21 171.0(4) . . . . ?
C22 C16 C17 C21 -2.3(7) . . . . ?
U1 C16 C17 C21 -120.3(4) . . . . ?
C15 C16 C17 U1 -68.7(3) . . . . ?
C22 C16 C17 U1 118.0(5) . . . . ?
C16 C17 C18 C19 1.3(5) . . . . ?
C21 C17 C18 C19 -170.2(4) . . . . ?
U1 C17 C18 C19 70.7(3) . . . . ?
C16 C17 C18 C25 178.2(4) . . . . ?
C21 C17 C18 C25 6.7(7) . . . . ?
U1 C17 C18 C25 -112.4(4) . . . . ?
C16 C17 C18 U1 -69.4(3) . . . . ?
C21 C17 C18 U1 119.2(4) . . . . ?
C16 C15 C19 C18 1.1(5) . . . . ?
C23 C15 C19 C18 171.4(4) . . . . ?
U1 C15 C19 C18 -67.1(3) . . . . ?
C16 C15 C19 C20 -173.9(4) . . . . ?
C23 C15 C19 C20 -3.6(7) . . . . ?
U1 C15 C19 C20 117.9(4) . . . . ?
C16 C15 C19 U1 68.2(3) . . . . ?
C23 C15 C19 U1 -121.5(5) . . . . ?
C17 C18 C19 C15 -1.5(5) . . . . ?
C25 C18 C19 C15 -178.2(4) . . . . ?
U1 C18 C19 C15 68.5(3) . . . . ?
C17 C18 C19 C20 173.2(5) . . . . ?
C25 C18 C19 C20 -3.5(8) . . . . ?
U1 C18 C19 C20 -116.8(5) . . . . ?
C17 C18 C19 U1 -70.0(3) . . . . ?
C25 C18 C19 U1 113.3(5) . . . . ?
C17 C18 C25 C24 120.3(5) . . . . ?
C19 C18 C25 C24 -63.4(6) . . . . ?
U1 C18 C25 C24 30.0(5) . . . . ?
C17 C18 C25 C26 -112.5(5) . . . . ?
C19 C18 C25 C26 63.7(7) . . . . ?
U1 C18 C25 C26 157.1(4) . . . . ?
O1 C27 C28 C29 -34.5(5) . . . . ?
C27 C28 C29 C30 35.8(5) . . . . ?
C28 C29 C30 O1 -24.7(6) . . . . ?
C5 C6 Si1 C14 103.1(4) . . . . ?
C7 C6 Si1 C14 -69.8(4) . . . . ?
U1 C6 Si1 C14 -162.8(3) . . . . ?
C5 C6 Si1 C13 -14.8(4) . . . . ?
C7 C6 Si1 C13 172.3(3) . . . . ?
U1 C6 Si1 C13 79.3(4) . . . . ?
C5 C6 Si1 C12 -136.2(4) . . . . ?
C7 C6 Si1 C12 50.9(4) . . . . ?
U1 C6 Si1 C12 -42.1(4) . . . . ?
C8 C1 Si2 C11 -136.2(4) . . . . ?
C2 C1 Si2 C11 50.3(4) . . . . ?
U1 C1 Si2 C11 -36.8(4) . . . . ?
C8 C1 Si2 C10 -13.4(4) . . . . ?
C2 C1 Si2 C10 173.0(3) . . . . ?
U1 C1 Si2 C10 85.9(4) . . . . ?
C8 C1 Si2 C9 105.9(4) . . . . ?
C2 C1 Si2 C9 -67.7(4) . . . . ?
U1 C1 Si2 C9 -154.8(4) . . . . ?
C4 C5 U1 O1 -151.6(2) . . . . ?
C6 C5 U1 O1 -4.6(3) . . . . ?
C4 C5 U1 C6 -147.0(4) . . . . ?
C6 C5 U1 C4 147.0(4) . . . . ?
C4 C5 U1 C3 -17.8(3) . . . . ?
C6 C5 U1 C3 129.2(3) . . . . ?
C4 C5 U1 C2 -42.0(3) . . . . ?
C6 C5 U1 C2 105.1(3) . . . . ?
C4 C5 U1 C7 -124.3(3) . . . . ?
C6 C5 U1 C7 22.7(2) . . . . ?
C4 C5 U1 C18 68.1(3) . . . . ?
C6 C5 U1 C18 -144.9(3) . . . . ?
C4 C5 U1 C8 -99.9(3) . . . . ?
C6 C5 U1 C8 47.2(3) . . . . ?
C4 C5 U1 C17 105.0(3) . . . . ?
C6 C5 U1 C17 -108.0(3) . . . . ?
C4 C5 U1 C1 -71.4(3) . . . . ?
C6 C5 U1 C1 75.6(3) . . . . ?
C4 C5 U1 C19 58.4(3) . . . . ?
C6 C5 U1 C19 -154.6(3) . . . . ?
C5 C6 U1 O1 176.6(3) . . . . ?
C7 C6 U1 O1 -42.9(3) . . . . ?
Si1 C6 U1 O1 65.0(3) . . . . ?
C7 C6 U1 C5 140.5(4) . . . . ?
Si1 C6 U1 C5 -111.6(4) . . . . ?
C5 C6 U1 C4 -19.0(3) . . . . ?
C7 C6 U1 C4 121.5(3) . . . . ?
Si1 C6 U1 C4 -130.6(4) . . . . ?
C5 C6 U1 C3 -42.1(3) . . . . ?
C7 C6 U1 C3 98.3(3) . . . . ?
Si1 C6 U1 C3 -153.7(3) . . . . ?
C5 C6 U1 C2 -71.6(3) . . . . ?
C7 C6 U1 C2 68.8(3) . . . . ?
Si1 C6 U1 C2 176.8(3) . . . . ?
C5 C6 U1 C7 -140.5(4) . . . . ?
Si1 C6 U1 C7 107.9(4) . . . . ?
C5 C6 U1 C18 62.7(4) . . . . ?
C7 C6 U1 C18 -156.8(3) . . . . ?
Si1 C6 U1 C18 -48.9(5) . . . . ?
C5 C6 U1 C8 -122.5(3) . . . . ?
C7 C6 U1 C8 18.0(3) . . . . ?
Si1 C6 U1 C8 125.9(4) . . . . ?
C5 C6 U1 C17 94.9(3) . . . . ?
C7 C6 U1 C17 -124.6(3) . . . . ?
Si1 C6 U1 C17 -16.7(4) . . . . ?
C5 C6 U1 C1 -100.8(3) . . . . ?
C7 C6 U1 C1 39.7(3) . . . . ?
Si1 C6 U1 C1 147.6(3) . . . . ?
C5 C6 U1 C19 32.0(3) . . . . ?
C7 C6 U1 C19 172.5(3) . . . . ?
Si1 C6 U1 C19 -79.6(4) . . . . ?
C3 C4 U1 O1 -86.9(4) . . . . ?
C5 C4 U1 O1 61.9(5) . . . . ?
C3 C4 U1 C5 -148.8(4) . . . . ?
C3 C4 U1 C6 -129.7(3) . . . . ?
C5 C4 U1 C6 19.1(2) . . . . ?
C5 C4 U1 C3 148.8(4) . . . . ?
C3 C4 U1 C2 -19.8(2) . . . . ?
C5 C4 U1 C2 129.0(3) . . . . ?
C3 C4 U1 C7 -103.1(3) . . . . ?
C5 C4 U1 C7 45.7(3) . . . . ?
C3 C4 U1 C18 83.3(3) . . . . ?
C5 C4 U1 C18 -127.9(3) . . . . ?
C3 C4 U1 C8 -73.7(3) . . . . ?
C5 C4 U1 C8 75.1(3) . . . . ?
C3 C4 U1 C17 114.0(3) . . . . ?
C5 C4 U1 C17 -97.2(3) . . . . ?
C3 C4 U1 C1 -44.3(3) . . . . ?
C5 C4 U1 C1 104.5(3) . . . . ?
C3 C4 U1 C19 89.0(3) . . . . ?
C5 C4 U1 C19 -122.2(3) . . . . ?
C4 C3 U1 O1 141.6(3) . . . . ?
C2 C3 U1 O1 -4.1(4) . . . . ?
C4 C3 U1 C5 18.1(2) . . . . ?
C2 C3 U1 C5 -127.6(3) . . . . ?
C4 C3 U1 C6 41.9(3) . . . . ?
C2 C3 U1 C6 -103.7(3) . . . . ?
C2 C3 U1 C4 -145.6(4) . . . . ?
C4 C3 U1 C2 145.6(4) . . . . ?
C4 C3 U1 C7 72.6(3) . . . . ?
C2 C3 U1 C7 -73.1(3) . . . . ?
C4 C3 U1 C18 -107.3(3) . . . . ?
C2 C3 U1 C18 107.1(3) . . . . ?
C4 C3 U1 C8 101.2(3) . . . . ?
C2 C3 U1 C8 -44.5(3) . . . . ?
C4 C3 U1 C17 -91.0(3) . . . . ?
C2 C3 U1 C17 123.3(3) . . . . ?
C4 C3 U1 C1 126.2(3) . . . . ?
C2 C3 U1 C1 -19.5(2) . . . . ?
C4 C3 U1 C19 -87.4(3) . . . . ?
C2 C3 U1 C19 127.0(3) . . . . ?
C3 C2 U1 O1 177.3(2) . . . . ?
C1 C2 U1 O1 31.5(3) . . . . ?
C3 C2 U1 C5 43.5(3) . . . . ?
C1 C2 U1 C5 -102.4(3) . . . . ?
C3 C2 U1 C6 73.2(3) . . . . ?
C1 C2 U1 C6 -72.6(3) . . . . ?
C3 C2 U1 C4 19.7(3) . . . . ?
C1 C2 U1 C4 -126.2(3) . . . . ?
C1 C2 U1 C3 -145.9(4) . . . . ?
C3 C2 U1 C7 102.6(3) . . . . ?
C1 C2 U1 C7 -43.3(3) . . . . ?
C3 C2 U1 C18 -83.6(3) . . . . ?
C1 C2 U1 C18 130.6(3) . . . . ?
C3 C2 U1 C8 125.3(3) . . . . ?
C1 C2 U1 C8 -20.6(2) . . . . ?
C3 C2 U1 C17 -89.3(3) . . . . ?
C1 C2 U1 C17 124.8(3) . . . . ?
C3 C2 U1 C1 145.9(4) . . . . ?
C3 C2 U1 C19 -54.2(3) . . . . ?
C1 C2 U1 C19 159.9(3) . . . . ?
C8 C7 U1 O1 -74.0(3) . . . . ?
C6 C7 U1 O1 137.9(3) . . . . ?
C8 C7 U1 C5 125.4(3) . . . . ?
C6 C7 U1 C5 -22.7(2) . . . . ?
C8 C7 U1 C6 148.1(4) . . . . ?
C8 C7 U1 C4 99.8(3) . . . . ?
C6 C7 U1 C4 -48.3(3) . . . . ?
C8 C7 U1 C3 70.3(3) . . . . ?
C6 C7 U1 C3 -77.8(3) . . . . ?
C8 C7 U1 C2 40.6(3) . . . . ?
C6 C7 U1 C2 -107.5(3) . . . . ?
C8 C7 U1 C18 -110.5(7) . . . . ?
C6 C7 U1 C18 101.4(7) . . . . ?
C6 C7 U1 C8 -148.1(4) . . . . ?
C8 C7 U1 C17 -128.3(3) . . . . ?
C6 C7 U1 C17 83.7(3) . . . . ?
C8 C7 U1 C1 16.4(3) . . . . ?
C6 C7 U1 C1 -131.7(3) . . . . ?
C8 C7 U1 C19 132.4(4) . . . . ?
C6 C7 U1 C19 -15.7(5) . . . . ?
C17 C18 U1 O1 -59.6(3) . . . . ?
C19 C18 U1 O1 -172.3(3) . . . . ?
C25 C18 U1 O1 62.1(3) . . . . ?
C17 C18 U1 C5 93.3(3) . . . . ?
C19 C18 U1 C5 -19.5(3) . . . . ?
C25 C18 U1 C5 -145.0(3) . . . . ?
C17 C18 U1 C6 57.8(4) . . . . ?
C19 C18 U1 C6 -55.0(4) . . . . ?
C25 C18 U1 C6 179.5(3) . . . . ?
C17 C18 U1 C4 124.2(3) . . . . ?
C19 C18 U1 C4 11.4(3) . . . . ?
C25 C18 U1 C4 -114.1(3) . . . . ?
C17 C18 U1 C3 155.5(3) . . . . ?
C19 C18 U1 C3 42.8(3) . . . . ?
C25 C18 U1 C3 -82.7(4) . . . . ?
C17 C18 U1 C2 -172.9(3) . . . . ?
C19 C18 U1 C2 74.4(3) . . . . ?
C25 C18 U1 C2 -51.2(4) . . . . ?
C17 C18 U1 C7 -23.7(8) . . . . ?
C19 C18 U1 C7 -136.4(6) . . . . ?
C25 C18 U1 C7 98.0(7) . . . . ?
C17 C18 U1 C8 -112.7(4) . . . . ?
C19 C18 U1 C8 134.6(3) . . . . ?
C25 C18 U1 C8 9.0(5) . . . . ?
C19 C18 U1 C17 -112.8(4) . . . . ?
C25 C18 U1 C17 121.7(5) . . . . ?
C17 C18 U1 C1 -143.4(3) . . . . ?
C19 C18 U1 C1 103.8(3) . . . . ?
C25 C18 U1 C1 -21.7(4) . . . . ?
C17 C18 U1 C19 112.8(4) . . . . ?
C25 C18 U1 C19 -125.5(5) . . . . ?
C7 C8 U1 O1 99.3(3) . . . . ?
C1 C8 U1 O1 -109.4(3) . . . . ?
C7 C8 U1 C5 -45.0(3) . . . . ?
C1 C8 U1 C5 106.2(3) . . . . ?
C7 C8 U1 C6 -18.7(3) . . . . ?
C1 C8 U1 C6 132.6(3) . . . . ?
C7 C8 U1 C4 -75.4(3) . . . . ?
C1 C8 U1 C4 75.9(3) . . . . ?
C7 C8 U1 C3 -105.2(3) . . . . ?
C1 C8 U1 C3 46.0(3) . . . . ?
C7 C8 U1 C2 -130.4(3) . . . . ?
C1 C8 U1 C2 20.9(2) . . . . ?
C1 C8 U1 C7 151.3(4) . . . . ?
C7 C8 U1 C18 155.6(3) . . . . ?
C1 C8 U1 C18 -53.1(4) . . . . ?
C7 C8 U1 C17 92.4(4) . . . . ?
C1 C8 U1 C17 -116.3(3) . . . . ?
C7 C8 U1 C1 -151.3(4) . . . . ?
C7 C8 U1 C19 -129.0(4) . . . . ?
C1 C8 U1 C19 22.3(5) . . . . ?
C16 C17 U1 O1 -129.0(3) . . . . ?
C18 C17 U1 O1 116.9(3) . . . . ?
C21 C17 U1 O1 -6.3(4) . . . . ?
C16 C17 U1 C5 5.2(3) . . . . ?
C18 C17 U1 C5 -108.9(3) . . . . ?
C21 C17 U1 C5 127.9(4) . . . . ?
C16 C17 U1 C6 -33.0(3) . . . . ?
C18 C17 U1 C6 -147.1(3) . . . . ?
C21 C17 U1 C6 89.7(4) . . . . ?
C16 C17 U1 C4 42.8(3) . . . . ?
C18 C17 U1 C4 -71.3(3) . . . . ?
C21 C17 U1 C4 165.5(3) . . . . ?
C16 C17 U1 C3 81.4(3) . . . . ?
C18 C17 U1 C3 -32.6(3) . . . . ?
C21 C17 U1 C3 -155.9(4) . . . . ?
C16 C17 U1 C2 124.8(3) . . . . ?
C18 C17 U1 C2 10.7(4) . . . . ?
C21 C17 U1 C2 -112.5(4) . . . . ?
C16 C17 U1 C7 -73.1(3) . . . . ?
C18 C17 U1 C7 172.8(2) . . . . ?
C21 C17 U1 C7 49.6(5) . . . . ?
C16 C17 U1 C18 114.1(4) . . . . ?
C21 C17 U1 C18 -123.2(5) . . . . ?
C16 C17 U1 C8 -122.1(3) . . . . ?
C18 C17 U1 C8 123.8(3) . . . . ?
C21 C17 U1 C8 0.5(5) . . . . ?
C16 C17 U1 C1 178.1(3) . . . . ?
C18 C17 U1 C1 64.0(4) . . . . ?
C21 C17 U1 C1 -59.2(5) . . . . ?
C16 C17 U1 C19 76.6(3) . . . . ?
C18 C17 U1 C19 -37.5(3) . . . . ?
C21 C17 U1 C19 -160.7(5) . . . . ?
C8 C1 U1 O1 65.5(3) . . . . ?
C2 C1 U1 O1 -150.9(3) . . . . ?
Si2 C1 U1 O1 -49.0(3) . . . . ?
C8 C1 U1 C5 -69.7(3) . . . . ?
C2 C1 U1 C5 73.9(3) . . . . ?
Si2 C1 U1 C5 175.8(4) . . . . ?
C8 C1 U1 C6 -39.3(3) . . . . ?
C2 C1 U1 C6 104.3(3) . . . . ?
Si2 C1 U1 C6 -153.8(4) . . . . ?
C8 C1 U1 C4 -99.4(3) . . . . ?
C2 C1 U1 C4 44.3(3) . . . . ?
Si2 C1 U1 C4 146.1(4) . . . . ?
C8 C1 U1 C3 -124.0(3) . . . . ?
C2 C1 U1 C3 19.7(3) . . . . ?
Si2 C1 U1 C3 121.5(4) . . . . ?
C8 C1 U1 C2 -143.7(4) . . . . ?
Si2 C1 U1 C2 101.9(5) . . . . ?
C8 C1 U1 C7 -16.4(3) . . . . ?
C2 C1 U1 C7 127.3(3) . . . . ?
Si2 C1 U1 C7 -130.9(4) . . . . ?
C8 C1 U1 C18 151.4(3) . . . . ?
C2 C1 U1 C18 -64.9(3) . . . . ?
Si2 C1 U1 C18 37.0(4) . . . . ?
C2 C1 U1 C8 143.7(4) . . . . ?
Si2 C1 U1 C8 -114.5(5) . . . . ?
C8 C1 U1 C17 116.1(3) . . . . ?
C2 C1 U1 C17 -100.2(3) . . . . ?
Si2 C1 U1 C17 1.7(5) . . . . ?
C8 C1 U1 C19 -169.6(3) . . . . ?
C2 C1 U1 C19 -25.9(3) . . . . ?
Si2 C1 U1 C19 76.0(4) . . . . ?
C15 C19 U1 O1 -104.4(3) . . . . ?
C18 C19 U1 O1 8.8(3) . . . . ?
C20 C19 U1 O1 134.4(4) . . . . ?
C15 C19 U1 C5 51.4(3) . . . . ?
C18 C19 U1 C5 164.6(3) . . . . ?
C20 C19 U1 C5 -69.8(4) . . . . ?
C15 C19 U1 C6 35.4(3) . . . . ?
C18 C19 U1 C6 148.6(3) . . . . ?
C20 C19 U1 C6 -85.9(4) . . . . ?
C15 C19 U1 C4 77.4(3) . . . . ?
C18 C19 U1 C4 -169.4(3) . . . . ?
C20 C19 U1 C4 -43.8(4) . . . . ?
C15 C19 U1 C3 107.9(3) . . . . ?
C18 C19 U1 C3 -138.9(3) . . . . ?
C20 C19 U1 C3 -13.4(4) . . . . ?
C15 C19 U1 C2 132.3(3) . . . . ?
C18 C19 U1 C2 -114.5(3) . . . . ?
C20 C19 U1 C2 11.1(4) . . . . ?
C15 C19 U1 C7 45.4(5) . . . . ?
C18 C19 U1 C7 158.6(3) . . . . ?
C20 C19 U1 C7 -75.8(6) . . . . ?
C15 C19 U1 C18 -113.2(4) . . . . ?
C20 C19 U1 C18 125.6(5) . . . . ?
C15 C19 U1 C8 131.1(4) . . . . ?
C18 C19 U1 C8 -115.7(4) . . . . ?
C20 C19 U1 C8 9.8(7) . . . . ?
C15 C19 U1 C17 -75.7(3) . . . . ?
C18 C19 U1 C17 37.5(3) . . . . ?
C20 C19 U1 C17 163.0(5) . . . . ?
C15 C19 U1 C1 145.2(3) . . . . ?
C18 C19 U1 C1 -101.6(3) . . . . ?
C20 C19 U1 C1 24.0(5) . . . . ?
C28 C27 O1 C30 19.8(6) . . . . ?
C28 C27 O1 U1 -167.5(3) . . . . ?
C29 C30 O1 C27 3.0(5) . . . . ?
C29 C30 O1 U1 -169.6(3) . . . . ?
C5 U1 O1 C27 -33.6(4) . . . . ?
C6 U1 O1 C27 -36.1(4) . . . . ?
C4 U1 O1 C27 -72.8(5) . . . . ?
C3 U1 O1 C27 -127.5(4) . . . . ?
C2 U1 O1 C27 -129.7(4) . . . . ?
C7 U1 O1 C27 -56.8(4) . . . . ?
C18 U1 O1 C27 116.2(4) . . . . ?
C8 U1 O1 C27 -86.5(4) . . . . ?
C17 U1 O1 C27 89.8(4) . . . . ?
C1 U1 O1 C27 -114.5(4) . . . . ?
C19 U1 O1 C27 111.8(4) . . . . ?
C5 U1 O1 C30 137.9(3) . . . . ?
C6 U1 O1 C30 135.5(3) . . . . ?
C4 U1 O1 C30 98.7(5) . . . . ?
C3 U1 O1 C30 44.0(4) . . . . ?
C2 U1 O1 C30 41.8(4) . . . . ?
C7 U1 O1 C30 114.7(4) . . . . ?
C18 U1 O1 C30 -72.3(4) . . . . ?
C8 U1 O1 C30 85.0(4) . . . . ?
C17 U1 O1 C30 -98.6(4) . . . . ?
C1 U1 O1 C30 57.1(3) . . . . ?
C19 U1 O1 C30 -76.6(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.217
_refine_diff_density_min         -1.826
_refine_diff_density_rms         0.160
_database_code_depnum_ccdc_archive 'CCDC 1000009'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_4

_audit_creation_method           SHELXL-97
_chemical_name_systematic        4
_chemical_name_common            4
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H53 O Si2 U'
_chemical_formula_sum            'C31 H53 O Si2 U'
_chemical_formula_weight         735.94
_chemical_compound_source        'synthesis as described'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/n
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.092(2)
_cell_length_b                   19.621(4)
_cell_length_c                   13.755(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.30(3)
_cell_angle_gamma                90.00
_cell_volume                     3243.7(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    48167
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Plate
_exptl_crystal_colour            Brown
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1468
_exptl_absorpt_coefficient_mu    5.098
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4287
_exptl_absorpt_correction_T_max  0.9508
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            36459
_diffrn_reflns_av_R_equivalents  0.0715
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.37
_diffrn_reflns_theta_max         27.41
_reflns_number_total             7304
_reflns_number_gt                5729
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
;         
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
;
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0303P)²+9.2565P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7304
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0391
_refine_ls_wR_factor_ref         0.0823
_refine_ls_wR_factor_gt          0.0753
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1146(4) 0.1577(3) 0.2896(3) 0.0274(11) Uani 1 1 d . . .
C2 C 0.0129(4) 0.1947(3) 0.2850(4) 0.0283(11) Uani 1 1 d . . .
H2 H -0.0459 0.1662 0.3012 0.034 Uiso 1 1 calc R . .
C3 C -0.0261(5) 0.2619(3) 0.2631(4) 0.0273(12) Uani 1 1 d . . .
H3 H -0.1023 0.2668 0.2727 0.033 Uiso 1 1 calc R . .
C4 C 0.0192(4) 0.3239(3) 0.2305(4) 0.0270(11) Uani 1 1 d . . .
C5 C 0.1303(4) 0.3410(3) 0.2128(4) 0.0307(12) Uani 1 1 d . . .
H5 H 0.1348 0.3858 0.1871 0.037 Uiso 1 1 calc R . .
C6 C 0.2342(4) 0.3084(3) 0.2240(4) 0.0307(12) Uani 1 1 d . . .
H6 H 0.2927 0.3378 0.2096 0.037 Uiso 1 1 calc R . .
C7 C 0.2726(5) 0.2430(3) 0.2511(4) 0.0312(12) Uani 1 1 d . . .
H7 H 0.3512 0.2397 0.2528 0.037 Uiso 1 1 calc R . .
C8 C 0.2248(4) 0.1811(3) 0.2764(3) 0.0291(12) Uani 1 1 d . . .
H8 H 0.2787 0.1460 0.2876 0.035 Uiso 1 1 calc R . .
C9 C -0.0212(6) 0.0234(3) 0.2828(5) 0.0499(17) Uani 1 1 d . . .
H9A H -0.0228 -0.0226 0.3102 0.075 Uiso 1 1 calc R . .
H9B H -0.0198 0.0206 0.2118 0.075 Uiso 1 1 calc R . .
H9C H -0.0877 0.0484 0.2971 0.075 Uiso 1 1 calc R . .
C10 C 0.1000(6) 0.0751(3) 0.4738(4) 0.0470(16) Uani 1 1 d . . .
H10A H 0.0954 0.0292 0.5012 0.070 Uiso 1 1 calc R . .
H10B H 0.0344 0.1015 0.4867 0.070 Uiso 1 1 calc R . .
H10C H 0.1673 0.0978 0.5042 0.070 Uiso 1 1 calc R . .
C11 C 0.2291(6) 0.0163(3) 0.3170(6) 0.064(2) Uani 1 1 d . . .
H11A H 0.2209 -0.0295 0.3437 0.096 Uiso 1 1 calc R . .
H11B H 0.2967 0.0375 0.3495 0.096 Uiso 1 1 calc R . .
H11C H 0.2346 0.0131 0.2466 0.096 Uiso 1 1 calc R . .
C12 C -0.0778(6) 0.4421(3) 0.0981(5) 0.0515(17) Uani 1 1 d . . .
H12A H -0.0015 0.4538 0.0864 0.077 Uiso 1 1 calc R . .
H12B H -0.1228 0.4837 0.0970 0.077 Uiso 1 1 calc R . .
H12C H -0.1098 0.4110 0.0469 0.077 Uiso 1 1 calc R . .
C13 C -0.2228(5) 0.3787(3) 0.2400(4) 0.0418(15) Uani 1 1 d . . .
H13A H -0.2235 0.3565 0.3038 0.063 Uiso 1 1 calc R . .
H13B H -0.2546 0.3477 0.1884 0.063 Uiso 1 1 calc R . .
H13C H -0.2672 0.4205 0.2384 0.063 Uiso 1 1 calc R . .
C14 C -0.0229(6) 0.4633(4) 0.3155(6) 0.064(2) Uani 1 1 d . . .
H14A H -0.0213 0.4423 0.3804 0.096 Uiso 1 1 calc R . .
H14B H -0.0720 0.5032 0.3119 0.096 Uiso 1 1 calc R . .
H14C H 0.0524 0.4774 0.3046 0.096 Uiso 1 1 calc R . .
C15 C 0.1821(4) 0.2435(3) -0.0636(4) 0.0276(12) Uani 1 1 d . . .
C16 C 0.1174(4) 0.1822(3) -0.0741(3) 0.0263(11) Uani 1 1 d . . .
C17 C 0.1739(4) 0.1300(3) -0.0164(4) 0.0296(12) Uani 1 1 d . . .
C18 C 0.2737(4) 0.1580(3) 0.0293(4) 0.0306(12) Uani 1 1 d . . .
C19 C 0.2801(4) 0.2276(3) 0.0008(4) 0.0297(11) Uani 1 1 d . . .
C20 C 0.0154(5) 0.1663(3) -0.1449(4) 0.0377(13) Uani 1 1 d . . .
H20A H -0.0120 0.2082 -0.1779 0.057 Uiso 1 1 calc R . .
H20B H -0.0428 0.1470 -0.1089 0.057 Uiso 1 1 calc R . .
H20C H 0.0351 0.1333 -0.1937 0.057 Uiso 1 1 calc R . .
C21 C 0.1426(5) 0.0564(3) -0.0130(5) 0.0426(14) Uani 1 1 d . . .
H21A H 0.0696 0.0496 -0.0502 0.064 Uiso 1 1 calc R . .
H21B H 0.1393 0.0427 0.0551 0.064 Uiso 1 1 calc R . .
H21C H 0.1983 0.0288 -0.0416 0.064 Uiso 1 1 calc R . .
C22 C 0.3656(5) 0.1178(3) 0.0868(4) 0.0445(15) Uani 1 1 d . . .
H22A H 0.4260 0.1487 0.1113 0.067 Uiso 1 1 calc R . .
H22B H 0.3941 0.0834 0.0444 0.067 Uiso 1 1 calc R . .
H22C H 0.3362 0.0953 0.1422 0.067 Uiso 1 1 calc R . .
C23 C 0.3853(5) 0.2692(3) 0.0295(4) 0.0411(15) Uani 1 1 d . . .
H23A H 0.3749 0.3156 0.0038 0.062 Uiso 1 1 calc R . .
H23B H 0.4483 0.2478 0.0023 0.062 Uiso 1 1 calc R . .
H23C H 0.4001 0.2709 0.1010 0.062 Uiso 1 1 calc R . .
C24 C 0.1497(5) 0.3116(3) -0.1144(4) 0.0341(13) Uani 1 1 d . . .
C25 C 0.0343(5) 0.3345(3) -0.0918(4) 0.0414(14) Uani 1 1 d . . .
H25A H -0.0199 0.2983 -0.1103 0.062 Uiso 1 1 calc R . .
H25B H 0.0128 0.3759 -0.1288 0.062 Uiso 1 1 calc R . .
H25C H 0.0361 0.3438 -0.0216 0.062 Uiso 1 1 calc R . .
C26 C 0.2303(6) 0.3695(3) -0.0848(5) 0.0531(18) Uani 1 1 d . . .
H26A H 0.3053 0.3566 -0.0986 0.080 Uiso 1 1 calc R . .
H26B H 0.2307 0.3786 -0.0147 0.080 Uiso 1 1 calc R . .
H26C H 0.2068 0.4106 -0.1220 0.080 Uiso 1 1 calc R . .
C27 C 0.1473(6) 0.3034(4) -0.2262(4) 0.0528(18) Uani 1 1 d . . .
H27A H 0.0960 0.2666 -0.2488 0.079 Uiso 1 1 calc R . .
H27B H 0.2222 0.2924 -0.2425 0.079 Uiso 1 1 calc R . .
H27C H 0.1223 0.3461 -0.2585 0.079 Uiso 1 1 calc R . .
C28 C -0.1544(5) 0.1294(3) 0.0569(5) 0.0458(15) Uani 1 1 d . . .
H28A H -0.1679 0.1209 0.1256 0.055 Uiso 1 1 calc R . .
H28B H -0.1044 0.0934 0.0365 0.055 Uiso 1 1 calc R . .
C29 C -0.1966(5) 0.2439(3) 0.0191(5) 0.0444(15) Uani 1 1 d . . .
H29A H -0.1830 0.2688 -0.0410 0.053 Uiso 1 1 calc R . .
H29B H -0.2028 0.2774 0.0720 0.053 Uiso 1 1 calc R . .
C30 C -0.3023(5) 0.2018(4) 0.0014(5) 0.0527(18) Uani 1 1 d . . .
H30A H -0.3473 0.2058 0.0571 0.063 Uiso 1 1 calc R . .
H30B H -0.3479 0.2166 -0.0591 0.063 Uiso 1 1 calc R . .
C31 C -0.2619(6) 0.1300(4) -0.0085(6) 0.062(2) Uani 1 1 d . . .
H31A H -0.3153 0.0967 0.0137 0.074 Uiso 1 1 calc R . .
H31B H -0.2498 0.1197 -0.0769 0.074 Uiso 1 1 calc R . .
O1 O -0.1060(3) 0.1962(2) 0.0470(3) 0.0338(9) Uani 1 1 d . . .
Si1 Si 0.10583(14) 0.06899(8) 0.33858(11) 0.0334(4) Uani 1 1 d . . .
Si2 Si -0.07623(13) 0.40012(8) 0.21980(11) 0.0327(4) Uani 1 1 d . . .
U1 U 0.100184(15) 0.222362(9) 0.115380(13) 0.02269(6) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 1.423(7) . ?
C1 C8 1.440(7) . ?
C1 Si1 1.873(5) . ?
C1 U1 2.701(5) . ?
C2 C3 1.422(7) . ?
C2 U1 2.718(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.427(7) . ?
C3 U1 2.783(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.431(7) . ?
C4 Si2 1.884(5) . ?
C4 U1 2.789(5) . ?
C5 C6 1.404(7) . ?
C5 U1 2.692(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.401(8) . ?
C6 U1 2.679(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.405(7) . ?
C7 U1 2.672(5) . ?
C7 H7 0.9500 . ?
C8 U1 2.664(5) . ?
C8 H8 0.9500 . ?
C9 Si1 1.868(7) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si1 1.873(6) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si1 1.865(7) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si2 1.864(6) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si2 1.872(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 Si2 1.871(7) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C19 1.434(8) . ?
C15 C16 1.433(7) . ?
C15 C24 1.539(7) . ?
C15 U1 2.784(5) . ?
C16 C17 1.423(7) . ?
C16 C20 1.518(7) . ?
C16 U1 2.753(5) . ?
C17 C18 1.410(8) . ?
C17 C21 1.494(8) . ?
C17 U1 2.779(5) . ?
C18 C19 1.424(7) . ?
C18 C22 1.514(8) . ?
C18 U1 2.818(5) . ?
C19 C23 1.527(7) . ?
C19 U1 2.824(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C26 1.524(9) . ?
C24 C25 1.529(7) . ?
C24 C27 1.544(8) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 O1 1.448(7) . ?
C28 C31 1.497(9) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 O1 1.459(7) . ?
C29 C30 1.519(9) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.502(10) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
O1 U1 2.617(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 C8 129.6(5) . . ?
C2 C1 Si1 114.0(4) . . ?
C8 C1 Si1 115.6(4) . . ?
C2 C1 U1 75.5(3) . . ?
C8 C1 U1 73.0(3) . . ?
Si1 C1 U1 139.1(3) . . ?
C3 C2 C1 138.4(5) . . ?
C3 C2 U1 77.5(3) . . ?
C1 C2 U1 74.1(3) . . ?
C3 C2 H2 110.8 . . ?
C1 C2 H2 110.8 . . ?
U1 C2 H2 133.6 . . ?
C2 C3 C4 136.7(5) . . ?
C2 C3 U1 72.5(3) . . ?
C4 C3 U1 75.4(3) . . ?
C2 C3 H3 111.6 . . ?
C4 C3 H3 111.6 . . ?
U1 C3 H3 138.4 . . ?
C5 C4 C3 130.8(5) . . ?
C5 C4 Si2 112.2(4) . . ?
C3 C4 Si2 116.7(4) . . ?
C5 C4 U1 71.1(3) . . ?
C3 C4 U1 74.9(3) . . ?
Si2 C4 U1 140.6(2) . . ?
C6 C5 C4 136.1(5) . . ?
C6 C5 U1 74.4(3) . . ?
C4 C5 U1 78.7(3) . . ?
C6 C5 H5 112.0 . . ?
C4 C5 H5 112.0 . . ?
U1 C5 H5 128.6 . . ?
C5 C6 C7 135.5(5) . . ?
C5 C6 U1 75.3(3) . . ?
C7 C6 U1 74.5(3) . . ?
C5 C6 H6 112.3 . . ?
C7 C6 H6 112.3 . . ?
U1 C6 H6 133.3 . . ?
C8 C7 C6 136.4(5) . . ?
C8 C7 U1 74.4(3) . . ?
C6 C7 U1 75.1(3) . . ?
C8 C7 H7 111.8 . . ?
C6 C7 H7 111.8 . . ?
U1 C7 H7 135.1 . . ?
C7 C8 C1 136.0(5) . . ?
C7 C8 U1 75.1(3) . . ?
C1 C8 U1 75.8(3) . . ?
C7 C8 H8 112.0 . . ?
C1 C8 H8 112.0 . . ?
U1 C8 H8 132.2 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C19 C15 C16 106.5(5) . . ?
C19 C15 C24 128.4(5) . . ?
C16 C15 C24 125.1(5) . . ?
C19 C15 U1 76.8(3) . . ?
C16 C15 U1 73.8(3) . . ?
C24 C15 U1 115.7(3) . . ?
C17 C16 C15 108.9(5) . . ?
C17 C16 C20 121.1(5) . . ?
C15 C16 C20 129.3(5) . . ?
C17 C16 U1 76.1(3) . . ?
C15 C16 U1 76.2(3) . . ?
C20 C16 U1 121.7(3) . . ?
C18 C17 C16 107.6(5) . . ?
C18 C17 C21 124.8(5) . . ?
C16 C17 C21 127.2(5) . . ?
C18 C17 U1 77.0(3) . . ?
C16 C17 U1 74.1(3) . . ?
C21 C17 U1 120.6(4) . . ?
C17 C18 C19 108.7(5) . . ?
C17 C18 C22 125.0(5) . . ?
C19 C18 C22 125.8(5) . . ?
C17 C18 U1 73.9(3) . . ?
C19 C18 U1 75.6(3) . . ?
C22 C18 U1 123.4(3) . . ?
C18 C19 C15 108.2(5) . . ?
C18 C19 C23 120.7(5) . . ?
C15 C19 C23 130.7(5) . . ?
C18 C19 U1 75.1(3) . . ?
C15 C19 U1 73.6(3) . . ?
C23 C19 U1 123.1(3) . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 C25 107.4(5) . . ?
C26 C24 C27 106.6(5) . . ?
C25 C24 C27 108.4(5) . . ?
C26 C24 C15 113.7(5) . . ?
C25 C24 C15 110.8(4) . . ?
C27 C24 C15 109.8(5) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O1 C28 C31 105.6(5) . . ?
O1 C28 H28A 110.6 . . ?
C31 C28 H28A 110.6 . . ?
O1 C28 H28B 110.6 . . ?
C31 C28 H28B 110.6 . . ?
H28A C28 H28B 108.8 . . ?
O1 C29 C30 106.8(5) . . ?
O1 C29 H29A 110.4 . . ?
C30 C29 H29A 110.4 . . ?
O1 C29 H29B 110.4 . . ?
C30 C29 H29B 110.4 . . ?
H29A C29 H29B 108.6 . . ?
C31 C30 C29 104.3(5) . . ?
C31 C30 H30A 110.9 . . ?
C29 C30 H30A 110.9 . . ?
C31 C30 H30B 110.9 . . ?
C29 C30 H30B 110.9 . . ?
H30A C30 H30B 108.9 . . ?
C28 C31 C30 102.9(6) . . ?
C28 C31 H31A 111.2 . . ?
C30 C31 H31A 111.2 . . ?
C28 C31 H31B 111.2 . . ?
C30 C31 H31B 111.2 . . ?
H31A C31 H31B 109.1 . . ?
C28 O1 C29 107.8(4) . . ?
C28 O1 U1 121.5(3) . . ?
C29 O1 U1 128.8(3) . . ?
C11 Si1 C9 107.8(3) . . ?
C11 Si1 C10 108.1(3) . . ?
C9 Si1 C10 108.7(3) . . ?
C11 Si1 C1 112.4(3) . . ?
C9 Si1 C1 111.9(3) . . ?
C10 Si1 C1 107.9(3) . . ?
C12 Si2 C14 107.9(3) . . ?
C12 Si2 C13 108.4(3) . . ?
C14 Si2 C13 107.6(3) . . ?
C12 Si2 C4 111.5(3) . . ?
C14 Si2 C4 108.1(3) . . ?
C13 Si2 C4 113.1(2) . . ?
O1 U1 C8 131.97(14) . . ?
O1 U1 C7 156.96(14) . . ?
C8 U1 C7 30.53(16) . . ?
O1 U1 C6 144.89(14) . . ?
C8 U1 C6 58.37(16) . . ?
C7 U1 C6 30.36(17) . . ?
O1 U1 C5 114.84(14) . . ?
C8 U1 C5 79.36(16) . . ?
C7 U1 C5 57.88(17) . . ?
C6 U1 C5 30.30(16) . . ?
O1 U1 C1 101.11(14) . . ?
C8 U1 C1 31.14(15) . . ?
C7 U1 C1 58.81(16) . . ?
C6 U1 C1 79.95(16) . . ?
C5 U1 C1 88.44(16) . . ?
O1 U1 C2 79.92(14) . . ?
C8 U1 C2 57.55(16) . . ?
C7 U1 C2 77.15(16) . . ?
C6 U1 C2 85.16(16) . . ?
C5 U1 C2 77.85(16) . . ?
C1 U1 C2 30.45(15) . . ?
O1 U1 C16 76.81(13) . . ?
C8 U1 C16 127.26(15) . . ?
C7 U1 C16 124.78(15) . . ?
C6 U1 C16 127.18(15) . . ?
C5 U1 C16 134.36(15) . . ?
C1 U1 C16 134.53(16) . . ?
C2 U1 C16 146.31(16) . . ?
O1 U1 C17 89.92(14) . . ?
C8 U1 C17 98.73(16) . . ?
C7 U1 C17 105.85(16) . . ?
C6 U1 C17 123.86(16) . . ?
C5 U1 C17 148.63(15) . . ?
C1 U1 C17 106.15(15) . . ?
C2 U1 C17 127.73(15) . . ?
C16 U1 C17 29.81(15) . . ?
O1 U1 C15 97.39(14) . . ?
C8 U1 C15 123.84(15) . . ?
C7 U1 C15 105.62(16) . . ?
C6 U1 C15 98.46(16) . . ?
C5 U1 C15 105.67(16) . . ?
C1 U1 C15 149.34(15) . . ?
C2 U1 C15 176.30(16) . . ?
C16 U1 C15 29.99(15) . . ?
C17 U1 C15 49.41(15) . . ?
O1 U1 C3 74.91(14) . . ?
C8 U1 C3 77.48(16) . . ?
C7 U1 C3 84.05(16) . . ?
C6 U1 C3 76.35(15) . . ?
C5 U1 C3 56.64(15) . . ?
C1 U1 C3 58.02(15) . . ?
C2 U1 C3 29.93(15) . . ?
C16 U1 C3 151.15(16) . . ?
C17 U1 C3 154.07(15) . . ?
C15 U1 C3 151.80(16) . . ?
O1 U1 C4 87.95(14) . . ?
C8 U1 C4 86.94(15) . . ?
C7 U1 C4 77.91(16) . . ?
C6 U1 C4 57.43(15) . . ?
C5 U1 C4 30.20(14) . . ?
C1 U1 C4 79.90(15) . . ?
C2 U1 C4 57.45(15) . . ?
C16 U1 C4 144.10(15) . . ?
C17 U1 C4 173.88(15) . . ?
C15 U1 C4 125.24(15) . . ?
C3 U1 C4 29.67(14) . . ?

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
C8 C1 C2 C3 4.0(10) . . . . ?
Si1 C1 C2 C3 173.6(5) . . . . ?
U1 C1 C2 C3 -48.7(6) . . . . ?
C8 C1 C2 U1 52.7(5) . . . . ?
Si1 C1 C2 U1 -137.6(3) . . . . ?
C1 C2 C3 C4 3.7(11) . . . . ?
U1 C2 C3 C4 -44.0(6) . . . . ?
C1 C2 C3 U1 47.8(6) . . . . ?
C2 C3 C4 C5 -4.3(10) . . . . ?
U1 C3 C4 C5 -47.5(5) . . . . ?
C2 C3 C4 Si2 -177.3(5) . . . . ?
U1 C3 C4 Si2 139.5(3) . . . . ?
C2 C3 C4 U1 43.2(6) . . . . ?
C3 C4 C5 C6 -3.9(10) . . . . ?
Si2 C4 C5 C6 169.3(5) . . . . ?
U1 C4 C5 C6 -52.8(6) . . . . ?
C3 C4 C5 U1 48.8(5) . . . . ?
Si2 C4 C5 U1 -137.9(3) . . . . ?
C4 C5 C6 C7 5.4(11) . . . . ?
U1 C5 C6 C7 -48.8(6) . . . . ?
C4 C5 C6 U1 54.2(6) . . . . ?
C5 C6 C7 C8 2.1(11) . . . . ?
U1 C6 C7 C8 -47.0(6) . . . . ?
C5 C6 C7 U1 49.0(6) . . . . ?
C6 C7 C8 C1 -3.0(11) . . . . ?
U1 C7 C8 C1 -50.1(6) . . . . ?
C6 C7 C8 U1 47.1(6) . . . . ?
C2 C1 C8 C7 -3.8(10) . . . . ?
Si1 C1 C8 C7 -173.3(5) . . . . ?
U1 C1 C8 C7 49.9(6) . . . . ?
C2 C1 C8 U1 -53.6(5) . . . . ?
Si1 C1 C8 U1 136.8(3) . . . . ?
C19 C15 C16 C17 0.7(5) . . . . ?
C24 C15 C16 C17 179.9(4) . . . . ?
U1 C15 C16 C17 -69.7(3) . . . . ?
C19 C15 C16 C20 -169.7(5) . . . . ?
C24 C15 C16 C20 9.5(8) . . . . ?
U1 C15 C16 C20 119.9(5) . . . . ?
C19 C15 C16 U1 70.5(3) . . . . ?
C24 C15 C16 U1 -110.3(4) . . . . ?
C15 C16 C17 C18 -0.5(5) . . . . ?
C20 C16 C17 C18 170.8(4) . . . . ?
U1 C16 C17 C18 -70.3(3) . . . . ?
C15 C16 C17 C21 -173.6(5) . . . . ?
C20 C16 C17 C21 -2.3(8) . . . . ?
U1 C16 C17 C21 116.6(5) . . . . ?
C15 C16 C17 U1 69.8(3) . . . . ?
C20 C16 C17 U1 -118.9(4) . . . . ?
C16 C17 C18 C19 0.2(6) . . . . ?
C21 C17 C18 C19 173.4(5) . . . . ?
U1 C17 C18 C19 -68.2(3) . . . . ?
C16 C17 C18 C22 -171.8(5) . . . . ?
C21 C17 C18 C22 1.5(8) . . . . ?
U1 C17 C18 C22 119.9(5) . . . . ?
C16 C17 C18 U1 68.4(3) . . . . ?
C21 C17 C18 U1 -118.4(5) . . . . ?
C17 C18 C19 C15 0.3(6) . . . . ?
C22 C18 C19 C15 172.1(5) . . . . ?
U1 C18 C19 C15 -66.8(3) . . . . ?
C17 C18 C19 C23 -173.0(4) . . . . ?
C22 C18 C19 C23 -1.2(8) . . . . ?
U1 C18 C19 C23 119.9(4) . . . . ?
C17 C18 C19 U1 67.1(3) . . . . ?
C22 C18 C19 U1 -121.1(5) . . . . ?
C16 C15 C19 C18 -0.6(5) . . . . ?
C24 C15 C19 C18 -179.8(5) . . . . ?
U1 C15 C19 C18 67.8(3) . . . . ?
C16 C15 C19 C23 171.8(5) . . . . ?
C24 C15 C19 C23 -7.4(9) . . . . ?
U1 C15 C19 C23 -119.8(5) . . . . ?
C16 C15 C19 U1 -68.4(3) . . . . ?
C24 C15 C19 U1 112.4(5) . . . . ?
C19 C15 C24 C26 -4.7(7) . . . . ?
C16 C15 C24 C26 176.3(5) . . . . ?
U1 C15 C24 C26 88.6(5) . . . . ?
C19 C15 C24 C25 -125.7(6) . . . . ?
C16 C15 C24 C25 55.2(7) . . . . ?
U1 C15 C24 C25 -32.5(6) . . . . ?
C19 C15 C24 C27 114.6(6) . . . . ?
C16 C15 C24 C27 -64.5(6) . . . . ?
U1 C15 C24 C27 -152.2(4) . . . . ?
O1 C29 C30 C31 -16.2(7) . . . . ?
O1 C28 C31 C30 -35.8(7) . . . . ?
C29 C30 C31 C28 31.3(7) . . . . ?
C31 C28 O1 C29 26.2(7) . . . . ?
C31 C28 O1 U1 -168.1(4) . . . . ?
C30 C29 O1 C28 -6.1(6) . . . . ?
C30 C29 O1 U1 -170.3(3) . . . . ?
C2 C1 Si1 C11 166.9(4) . . . . ?
C8 C1 Si1 C11 -21.9(5) . . . . ?
U1 C1 Si1 C11 71.5(5) . . . . ?
C2 C1 Si1 C9 45.5(5) . . . . ?
C8 C1 Si1 C9 -143.3(4) . . . . ?
U1 C1 Si1 C9 -49.9(5) . . . . ?
C2 C1 Si1 C10 -74.0(5) . . . . ?
C8 C1 Si1 C10 97.2(4) . . . . ?
U1 C1 Si1 C10 -169.4(4) . . . . ?
C5 C4 Si2 C12 56.3(5) . . . . ?
C3 C4 Si2 C12 -129.5(4) . . . . ?
U1 C4 Si2 C12 -30.7(5) . . . . ?
C5 C4 Si2 C14 -62.2(5) . . . . ?
C3 C4 Si2 C14 112.1(4) . . . . ?
U1 C4 Si2 C14 -149.2(4) . . . . ?
C5 C4 Si2 C13 178.8(4) . . . . ?
C3 C4 Si2 C13 -7.0(5) . . . . ?
U1 C4 Si2 C13 91.8(4) . . . . ?
C28 O1 U1 C8 -37.2(5) . . . . ?
C29 O1 U1 C8 125.2(4) . . . . ?
C28 O1 U1 C7 -69.5(6) . . . . ?
C29 O1 U1 C7 92.9(5) . . . . ?
C28 O1 U1 C6 -130.2(4) . . . . ?
C29 O1 U1 C6 32.2(5) . . . . ?
C28 O1 U1 C5 -135.4(4) . . . . ?
C29 O1 U1 C5 27.0(4) . . . . ?
C28 O1 U1 C1 -41.9(4) . . . . ?
C29 O1 U1 C1 120.5(4) . . . . ?
C28 O1 U1 C2 -63.9(4) . . . . ?
C29 O1 U1 C2 98.5(4) . . . . ?
C28 O1 U1 C16 91.6(4) . . . . ?
C29 O1 U1 C16 -106.1(4) . . . . ?
C28 O1 U1 C17 64.6(4) . . . . ?
C29 O1 U1 C17 -133.1(4) . . . . ?
C28 O1 U1 C15 113.5(4) . . . . ?
C29 O1 U1 C15 -84.1(4) . . . . ?
C28 O1 U1 C3 -94.2(4) . . . . ?
C29 O1 U1 C3 68.2(4) . . . . ?
C28 O1 U1 C4 -121.2(4) . . . . ?
C29 O1 U1 C4 41.2(4) . . . . ?
C7 C8 U1 O1 -155.7(3) . . . . ?
C1 C8 U1 O1 -9.0(4) . . . . ?
C1 C8 U1 C7 146.6(5) . . . . ?
C7 C8 U1 C6 -18.1(3) . . . . ?
C1 C8 U1 C6 128.6(3) . . . . ?
C7 C8 U1 C5 -41.7(3) . . . . ?
C1 C8 U1 C5 104.9(3) . . . . ?
C7 C8 U1 C1 -146.6(5) . . . . ?
C7 C8 U1 C2 -124.0(3) . . . . ?
C1 C8 U1 C2 22.6(3) . . . . ?
C7 C8 U1 C16 96.9(3) . . . . ?
C1 C8 U1 C16 -116.4(3) . . . . ?
C7 C8 U1 C17 106.5(3) . . . . ?
C1 C8 U1 C17 -106.9(3) . . . . ?
C7 C8 U1 C15 60.1(4) . . . . ?
C1 C8 U1 C15 -153.3(3) . . . . ?
C7 C8 U1 C3 -99.6(3) . . . . ?
C1 C8 U1 C3 47.0(3) . . . . ?
C7 C8 U1 C4 -71.2(3) . . . . ?
C1 C8 U1 C4 75.4(3) . . . . ?
C8 C7 U1 O1 51.5(5) . . . . ?
C6 C7 U1 O1 -97.0(4) . . . . ?
C6 C7 U1 C8 -148.5(5) . . . . ?
C8 C7 U1 C6 148.5(5) . . . . ?
C8 C7 U1 C5 129.4(3) . . . . ?
C6 C7 U1 C5 -19.0(3) . . . . ?
C8 C7 U1 C1 19.4(3) . . . . ?
C6 C7 U1 C1 -129.0(3) . . . . ?
C8 C7 U1 C2 45.8(3) . . . . ?
C6 C7 U1 C2 -102.6(3) . . . . ?
C8 C7 U1 C16 -105.9(3) . . . . ?
C6 C7 U1 C16 105.7(3) . . . . ?
C8 C7 U1 C17 -80.2(3) . . . . ?
C6 C7 U1 C17 131.4(3) . . . . ?
C8 C7 U1 C15 -131.6(3) . . . . ?
C6 C7 U1 C15 79.9(3) . . . . ?
C8 C7 U1 C3 75.4(3) . . . . ?
C6 C7 U1 C3 -73.1(3) . . . . ?
C8 C7 U1 C4 104.8(3) . . . . ?
C6 C7 U1 C4 -43.6(3) . . . . ?
C5 C6 U1 O1 -9.3(4) . . . . ?
C7 C6 U1 O1 137.5(3) . . . . ?
C5 C6 U1 C8 -128.6(3) . . . . ?
C7 C6 U1 C8 18.2(3) . . . . ?
C5 C6 U1 C7 -146.8(5) . . . . ?
C7 C6 U1 C5 146.8(5) . . . . ?
C5 C6 U1 C1 -104.4(3) . . . . ?
C7 C6 U1 C1 42.4(3) . . . . ?
C5 C6 U1 C2 -74.1(3) . . . . ?
C7 C6 U1 C2 72.7(3) . . . . ?
C5 C6 U1 C16 116.2(3) . . . . ?
C7 C6 U1 C16 -97.0(3) . . . . ?
C5 C6 U1 C17 152.8(3) . . . . ?
C7 C6 U1 C17 -60.3(3) . . . . ?
C5 C6 U1 C15 106.6(3) . . . . ?
C7 C6 U1 C15 -106.5(3) . . . . ?
C5 C6 U1 C3 -45.1(3) . . . . ?
C7 C6 U1 C3 101.7(3) . . . . ?
C5 C6 U1 C4 -20.0(3) . . . . ?
C7 C6 U1 C4 126.8(3) . . . . ?
C6 C5 U1 O1 174.1(3) . . . . ?
C4 C5 U1 O1 29.1(3) . . . . ?
C6 C5 U1 C8 42.6(3) . . . . ?
C4 C5 U1 C8 -102.4(3) . . . . ?
C6 C5 U1 C7 19.1(3) . . . . ?
C4 C5 U1 C7 -125.9(3) . . . . ?
C4 C5 U1 C6 -145.0(5) . . . . ?
C6 C5 U1 C1 72.6(3) . . . . ?
C4 C5 U1 C1 -72.4(3) . . . . ?
C6 C5 U1 C2 101.4(3) . . . . ?
C4 C5 U1 C2 -43.6(3) . . . . ?
C6 C5 U1 C16 -90.1(4) . . . . ?
C4 C5 U1 C16 124.9(3) . . . . ?
C6 C5 U1 C17 -46.8(5) . . . . ?
C4 C5 U1 C17 168.2(3) . . . . ?
C6 C5 U1 C15 -79.8(3) . . . . ?
C4 C5 U1 C15 135.2(3) . . . . ?
C6 C5 U1 C3 124.5(4) . . . . ?
C4 C5 U1 C3 -20.5(3) . . . . ?
C6 C5 U1 C4 145.0(5) . . . . ?
C2 C1 U1 O1 -46.7(3) . . . . ?
C8 C1 U1 O1 173.2(3) . . . . ?
Si1 C1 U1 O1 63.4(4) . . . . ?
C2 C1 U1 C8 140.2(5) . . . . ?
Si1 C1 U1 C8 -109.8(5) . . . . ?
C2 C1 U1 C7 121.1(4) . . . . ?
C8 C1 U1 C7 -19.1(3) . . . . ?
Si1 C1 U1 C7 -128.8(4) . . . . ?
C2 C1 U1 C6 97.6(3) . . . . ?
C8 C1 U1 C6 -42.5(3) . . . . ?
Si1 C1 U1 C6 -152.3(4) . . . . ?
C2 C1 U1 C5 68.3(3) . . . . ?
C8 C1 U1 C5 -71.8(3) . . . . ?
Si1 C1 U1 C5 178.4(4) . . . . ?
C8 C1 U1 C2 -140.2(5) . . . . ?
Si1 C1 U1 C2 110.1(5) . . . . ?
C2 C1 U1 C16 -129.0(3) . . . . ?
C8 C1 U1 C16 90.8(3) . . . . ?
Si1 C1 U1 C16 -19.0(5) . . . . ?
C2 C1 U1 C17 -139.9(3) . . . . ?
C8 C1 U1 C17 80.0(3) . . . . ?
Si1 C1 U1 C17 -29.8(4) . . . . ?
C2 C1 U1 C15 -172.7(3) . . . . ?
C8 C1 U1 C15 47.1(5) . . . . ?
Si1 C1 U1 C15 -62.6(5) . . . . ?
C2 C1 U1 C3 17.5(3) . . . . ?
C8 C1 U1 C3 -122.6(3) . . . . ?
Si1 C1 U1 C3 127.6(4) . . . . ?
C2 C1 U1 C4 39.2(3) . . . . ?
C8 C1 U1 C4 -101.0(3) . . . . ?
Si1 C1 U1 C4 149.3(4) . . . . ?
C3 C2 U1 O1 -77.2(3) . . . . ?
C1 C2 U1 O1 133.5(3) . . . . ?
C3 C2 U1 C8 126.1(4) . . . . ?
C1 C2 U1 C8 -23.1(3) . . . . ?
C3 C2 U1 C7 100.5(3) . . . . ?
C1 C2 U1 C7 -48.7(3) . . . . ?
C3 C2 U1 C6 70.9(3) . . . . ?
C1 C2 U1 C6 -78.4(3) . . . . ?
C3 C2 U1 C5 41.1(3) . . . . ?
C1 C2 U1 C5 -108.1(3) . . . . ?
C3 C2 U1 C1 149.3(5) . . . . ?
C3 C2 U1 C16 -124.0(3) . . . . ?
C1 C2 U1 C16 86.7(4) . . . . ?
C3 C2 U1 C17 -159.2(3) . . . . ?
C1 C2 U1 C17 51.5(4) . . . . ?
C3 C2 U1 C15 -121(2) . . . . ?
C1 C2 U1 C15 90(2) . . . . ?
C1 C2 U1 C3 -149.3(5) . . . . ?
C3 C2 U1 C4 16.8(3) . . . . ?
C1 C2 U1 C4 -132.4(4) . . . . ?
C17 C16 U1 O1 -114.0(3) . . . . ?
C15 C16 U1 O1 132.1(3) . . . . ?
C20 C16 U1 O1 4.2(4) . . . . ?
C17 C16 U1 C8 19.2(4) . . . . ?
C15 C16 U1 C8 -94.7(3) . . . . ?
C20 C16 U1 C8 137.4(4) . . . . ?
C17 C16 U1 C7 57.1(4) . . . . ?
C15 C16 U1 C7 -56.8(4) . . . . ?
C20 C16 U1 C7 175.3(4) . . . . ?
C17 C16 U1 C6 94.8(3) . . . . ?
C15 C16 U1 C6 -19.2(4) . . . . ?
C20 C16 U1 C6 -147.1(4) . . . . ?
C17 C16 U1 C5 134.0(3) . . . . ?
C15 C16 U1 C5 20.1(4) . . . . ?
C20 C16 U1 C5 -107.8(4) . . . . ?
C17 C16 U1 C1 -21.3(4) . . . . ?
C15 C16 U1 C1 -135.2(3) . . . . ?
C20 C16 U1 C1 96.9(4) . . . . ?
C17 C16 U1 C2 -66.5(4) . . . . ?
C15 C16 U1 C2 179.6(3) . . . . ?
C20 C16 U1 C2 51.7(6) . . . . ?
C15 C16 U1 C17 -113.9(4) . . . . ?
C20 C16 U1 C17 118.2(6) . . . . ?
C17 C16 U1 C15 113.9(4) . . . . ?
C20 C16 U1 C15 -127.9(6) . . . . ?
C17 C16 U1 C3 -125.5(4) . . . . ?
C15 C16 U1 C3 120.6(4) . . . . ?
C20 C16 U1 C3 -7.3(6) . . . . ?
C17 C16 U1 C4 178.8(3) . . . . ?
C15 C16 U1 C4 64.8(4) . . . . ?
C20 C16 U1 C4 -63.1(5) . . . . ?
C18 C17 U1 O1 175.7(3) . . . . ?
C16 C17 U1 O1 62.8(3) . . . . ?
C21 C17 U1 O1 -61.4(4) . . . . ?
C18 C17 U1 C8 -51.7(3) . . . . ?
C16 C17 U1 C8 -164.6(3) . . . . ?
C21 C17 U1 C8 71.2(5) . . . . ?
C18 C17 U1 C7 -21.3(3) . . . . ?
C16 C17 U1 C7 -134.2(3) . . . . ?
C21 C17 U1 C7 101.6(4) . . . . ?
C18 C17 U1 C6 5.9(4) . . . . ?
C16 C17 U1 C6 -107.0(3) . . . . ?
C21 C17 U1 C6 128.8(4) . . . . ?
C18 C17 U1 C5 32.1(5) . . . . ?
C16 C17 U1 C5 -80.8(4) . . . . ?
C21 C17 U1 C5 155.0(4) . . . . ?
C18 C17 U1 C1 -82.7(3) . . . . ?
C16 C17 U1 C1 164.4(3) . . . . ?
C21 C17 U1 C1 40.2(5) . . . . ?
C18 C17 U1 C2 -107.1(3) . . . . ?
C16 C17 U1 C2 140.0(3) . . . . ?
C21 C17 U1 C2 15.8(5) . . . . ?
C18 C17 U1 C16 112.9(4) . . . . ?
C21 C17 U1 C16 -124.2(6) . . . . ?
C18 C17 U1 C15 75.9(3) . . . . ?
C16 C17 U1 C15 -37.0(3) . . . . ?
C21 C17 U1 C15 -161.2(5) . . . . ?
C18 C17 U1 C3 -131.0(4) . . . . ?
C16 C17 U1 C3 116.1(4) . . . . ?
C21 C17 U1 C3 -8.1(7) . . . . ?
C18 C17 U1 C4 106.1(14) . . . . ?
C16 C17 U1 C4 -6.8(16) . . . . ?
C21 C17 U1 C4 -131.0(13) . . . . ?
C19 C15 U1 O1 -158.6(3) . . . . ?
C16 C15 U1 O1 -46.8(3) . . . . ?
C24 C15 U1 O1 74.9(4) . . . . ?
C19 C15 U1 C8 -4.6(4) . . . . ?
C16 C15 U1 C8 107.3(3) . . . . ?
C24 C15 U1 C8 -131.1(4) . . . . ?
C19 C15 U1 C7 22.6(3) . . . . ?
C16 C15 U1 C7 134.5(3) . . . . ?
C24 C15 U1 C7 -103.9(4) . . . . ?
C19 C15 U1 C6 52.8(3) . . . . ?
C16 C15 U1 C6 164.7(3) . . . . ?
C24 C15 U1 C6 -73.7(4) . . . . ?
C19 C15 U1 C5 83.0(3) . . . . ?
C16 C15 U1 C5 -165.2(3) . . . . ?
C24 C15 U1 C5 -43.6(4) . . . . ?
C19 C15 U1 C1 -31.7(5) . . . . ?
C16 C15 U1 C1 80.1(4) . . . . ?
C24 C15 U1 C1 -158.3(4) . . . . ?
C19 C15 U1 C2 -115(2) . . . . ?
C16 C15 U1 C2 -4(3) . . . . ?
C24 C15 U1 C2 118(2) . . . . ?
C19 C15 U1 C16 -111.8(4) . . . . ?
C24 C15 U1 C16 121.6(5) . . . . ?
C19 C15 U1 C17 -75.1(3) . . . . ?
C16 C15 U1 C17 36.8(3) . . . . ?
C24 C15 U1 C17 158.4(5) . . . . ?
C19 C15 U1 C3 129.7(4) . . . . ?
C16 C15 U1 C3 -118.5(4) . . . . ?
C24 C15 U1 C3 3.1(6) . . . . ?
C19 C15 U1 C4 108.7(3) . . . . ?
C16 C15 U1 C4 -139.5(3) . . . . ?
C24 C15 U1 C4 -17.9(5) . . . . ?
C2 C3 U1 O1 96.0(3) . . . . ?
C4 C3 U1 O1 -113.5(3) . . . . ?
C2 C3 U1 C8 -44.3(3) . . . . ?
C4 C3 U1 C8 106.2(3) . . . . ?
C2 C3 U1 C7 -74.5(3) . . . . ?
C4 C3 U1 C7 76.0(3) . . . . ?
C2 C3 U1 C6 -104.3(3) . . . . ?
C4 C3 U1 C6 46.1(3) . . . . ?
C2 C3 U1 C5 -129.7(4) . . . . ?
C4 C3 U1 C5 20.8(3) . . . . ?
C2 C3 U1 C1 -17.8(3) . . . . ?
C4 C3 U1 C1 132.7(4) . . . . ?
C4 C3 U1 C2 150.5(5) . . . . ?
C2 C3 U1 C16 107.7(4) . . . . ?
C4 C3 U1 C16 -101.8(4) . . . . ?
C2 C3 U1 C17 39.9(5) . . . . ?
C4 C3 U1 C17 -169.6(3) . . . . ?
C2 C3 U1 C15 173.3(3) . . . . ?
C4 C3 U1 C15 -36.2(5) . . . . ?
C2 C3 U1 C4 -150.5(5) . . . . ?
C5 C4 U1 O1 -153.8(3) . . . . ?
C3 C4 U1 O1 62.4(3) . . . . ?
Si2 C4 U1 O1 -51.4(4) . . . . ?
C5 C4 U1 C8 74.0(3) . . . . ?
C3 C4 U1 C8 -69.8(3) . . . . ?
Si2 C4 U1 C8 176.3(4) . . . . ?
C5 C4 U1 C7 44.5(3) . . . . ?
C3 C4 U1 C7 -99.3(3) . . . . ?
Si2 C4 U1 C7 146.9(4) . . . . ?
C5 C4 U1 C6 20.1(3) . . . . ?
C3 C4 U1 C6 -123.7(4) . . . . ?
Si2 C4 U1 C6 122.4(4) . . . . ?
C3 C4 U1 C5 -143.8(5) . . . . ?
Si2 C4 U1 C5 102.4(5) . . . . ?
C5 C4 U1 C1 104.5(3) . . . . ?
C3 C4 U1 C1 -39.3(3) . . . . ?
Si2 C4 U1 C1 -153.1(4) . . . . ?
C5 C4 U1 C2 126.9(4) . . . . ?
C3 C4 U1 C2 -16.9(3) . . . . ?
Si2 C4 U1 C2 -130.8(4) . . . . ?
C5 C4 U1 C16 -89.8(4) . . . . ?
C3 C4 U1 C16 126.4(3) . . . . ?
Si2 C4 U1 C16 12.5(5) . . . . ?
C5 C4 U1 C17 -84.1(14) . . . . ?
C3 C4 U1 C17 132.1(13) . . . . ?
Si2 C4 U1 C17 18.3(16) . . . . ?
C5 C4 U1 C15 -56.2(4) . . . . ?
C3 C4 U1 C15 160.0(3) . . . . ?
Si2 C4 U1 C15 46.2(4) . . . . ?
C5 C4 U1 C3 143.8(5) . . . . ?
Si2 C4 U1 C3 -113.8(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        27.41
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.619
_refine_diff_density_min         -1.728
_refine_diff_density_rms         0.137
_database_code_depnum_ccdc_archive 'CCDC 1000010'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_6

_audit_creation_method           SHELXL-97
_chemical_name_systematic        6
_chemical_name_common            6
_chemical_melting_point          ?
_chemical_formula_moiety         'C96 H153 O2 Si8 U4'
_chemical_formula_sum            'C96 H153 O2 Si8 U4'
_chemical_formula_weight         2516.02
_chemical_compound_source        'synthesis as described'


loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_space_group_name_Hall           '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.913(5)
_cell_length_b                   13.686(3)
_cell_length_c                   38.185(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.06(3)
_cell_angle_gamma                90.00
_cell_volume                     11448(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    58964
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4900
_exptl_absorpt_coefficient_mu    5.763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8022
_exptl_absorpt_correction_T_max  0.8934
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            66030
_diffrn_reflns_av_R_equivalents  0.0668
_diffrn_reflns_av_sigmaI/netI    0.0876
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         2.98
_diffrn_reflns_theta_max         27.46
_reflns_number_total             25509
_reflns_number_gt                16218
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        'HKL Denzo and Scalepack (Minor 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
The aymmetric unit contains a molecule of n-pentane 
that could not be properly modelled. This disorder was treated 
using the SQUEEZE algorith within
 the PLATON toolbar (A.L.Spek, J.Appl.Cryst. 2003, 36, 7-13). 
Two of the split atoms (C86a C86b) refined 
as non-positive definites and therefore their 
thermal parameters were constrained with the ISOR command 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0603P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         25509
_refine_ls_number_parameters     1004
_refine_ls_number_restraints     56
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0508
_refine_ls_wR_factor_ref         0.1285
_refine_ls_wR_factor_gt          0.1166
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6727(3) 0.7150(5) 0.74922(19) 0.0275(16) Uani 1 1 d . A .
C2 C 0.7240(3) 0.6573(5) 0.75126(19) 0.0288(17) Uani 1 1 d . A .
H2 H 0.7136 0.6016 0.7358 0.035 Uiso 1 1 calc R . .
C3 C 0.7872(3) 0.6595(5) 0.77019(19) 0.0272(16) Uani 1 1 d . A .
H3 H 0.8071 0.6020 0.7657 0.033 Uiso 1 1 calc R . .
C4 C 0.8293(4) 0.7245(5) 0.7941(2) 0.0325(18) Uani 1 1 d . A .
C5 C 0.8201(4) 0.8195(5) 0.8072(2) 0.0308(17) Uani 1 1 d . A .
H5 H 0.8568 0.8466 0.8227 0.037 Uiso 1 1 calc R . .
C6 C 0.7700(4) 0.8822(5) 0.80254(19) 0.0287(17) Uani 1 1 d . A .
H6 H 0.7820 0.9440 0.8137 0.034 Uiso 1 1 calc R . .
C7 C 0.7076(3) 0.8775(5) 0.7860(2) 0.0280(17) Uani 1 1 d . A .
H7 H 0.6873 0.9359 0.7892 0.034 Uiso 1 1 calc R . .
C8 C 0.6677(3) 0.8081(5) 0.76583(19) 0.0283(17) Uani 1 1 d . A .
H8 H 0.6263 0.8265 0.7619 0.034 Uiso 1 1 calc R . .
C9 C 0.6020(4) 0.5677(6) 0.6888(2) 0.053(2) Uani 1 1 d . . .
H9A H 0.6145 0.5120 0.7055 0.080 Uiso 1 1 calc R . .
H9B H 0.6322 0.5782 0.6756 0.080 Uiso 1 1 calc R . .
H9C H 0.5621 0.5542 0.6713 0.080 Uiso 1 1 calc R . .
C10 C 0.5715(4) 0.7816(6) 0.6807(3) 0.057(3) Uani 1 1 d . . .
H10A H 0.5678 0.8429 0.6932 0.086 Uiso 1 1 calc R . .
H10B H 0.5319 0.7647 0.6635 0.086 Uiso 1 1 calc R . .
H10C H 0.6018 0.7895 0.6674 0.086 Uiso 1 1 calc R . .
C11 C 0.5341(4) 0.6661(6) 0.7391(2) 0.047(2) Uani 1 1 d . . .
H11A H 0.5451 0.6137 0.7573 0.070 Uiso 1 1 calc R . .
H11B H 0.4956 0.6499 0.7206 0.070 Uiso 1 1 calc R . .
H11C H 0.5295 0.7275 0.7512 0.070 Uiso 1 1 calc R . .
C12 C 0.9500(4) 0.7816(7) 0.7812(3) 0.063(3) Uani 1 1 d . A .
H12A H 0.9431 0.8486 0.7882 0.095 Uiso 1 1 calc R . .
H12B H 0.9320 0.7734 0.7548 0.095 Uiso 1 1 calc R . .
H12C H 0.9940 0.7687 0.7878 0.095 Uiso 1 1 calc R . .
C14A C 0.9567(9) 0.7299(12) 0.8563(5) 0.051(5) Uiso 0.520(12) 1 d PU A 1
H14A H 0.9452 0.7964 0.8611 0.077 Uiso 0.520(12) 1 calc PR A 1
H14B H 1.0008 0.7271 0.8598 0.077 Uiso 0.520(12) 1 calc PR A 1
H14C H 0.9460 0.6844 0.8733 0.077 Uiso 0.520(12) 1 calc PR A 1
C14B C 0.9503(9) 0.6861(12) 0.8544(5) 0.051(5) Uiso 0.520(12) 1 d PU A 2
H14D H 0.9455 0.7482 0.8659 0.077 Uiso 0.520(12) 1 calc PR A 2
H14E H 0.9939 0.6725 0.8586 0.077 Uiso 0.520(12) 1 calc PR A 2
H14F H 0.9318 0.6334 0.8649 0.077 Uiso 0.520(12) 1 calc PR A 2
C15 C 0.7902(5) 0.4456(6) 0.8092(3) 0.066(3) Uani 1 1 d . . .
H15A H 0.8336 0.4483 0.8231 0.099 Uiso 1 1 calc R . .
H15B H 0.7843 0.4738 0.7849 0.099 Uiso 1 1 calc R . .
H15C H 0.7765 0.3774 0.8068 0.099 Uiso 1 1 calc R . .
C16 C 0.8385(4) 0.5242(7) 0.8902(3) 0.069(3) Uani 1 1 d . . .
H16A H 0.8651 0.5013 0.8759 0.104 Uiso 1 1 calc R . .
H16B H 0.8373 0.4752 0.9087 0.104 Uiso 1 1 calc R . .
H16C H 0.8544 0.5858 0.9023 0.104 Uiso 1 1 calc R . .
C17 C 0.7222(5) 0.6061(6) 0.9125(2) 0.062(3) Uani 1 1 d . . .
H17A H 0.7640 0.6110 0.9289 0.093 Uiso 1 1 calc R . .
H17B H 0.6992 0.5589 0.9226 0.093 Uiso 1 1 calc R . .
H17C H 0.7024 0.6702 0.9104 0.093 Uiso 1 1 calc R . .
C18 C 0.6053(4) 0.5722(6) 0.8458(3) 0.060(3) Uani 1 1 d . . .
H18A H 0.5773 0.5576 0.8215 0.090 Uiso 1 1 calc R . .
H18B H 0.5995 0.6400 0.8523 0.090 Uiso 1 1 calc R . .
H18C H 0.5970 0.5281 0.8639 0.090 Uiso 1 1 calc R . .
C19 C 0.6492(4) 0.4682(6) 0.7823(2) 0.052(2) Uani 1 1 d . . .
H19A H 0.6067 0.4865 0.7794 0.078 Uiso 1 1 calc R . .
H19B H 0.6532 0.3970 0.7838 0.078 Uiso 1 1 calc R . .
H19C H 0.6611 0.4918 0.7611 0.078 Uiso 1 1 calc R . .
C20 C 0.7538(4) 0.5026(5) 0.8291(2) 0.038(2) Uani 1 1 d . . .
C21 C 0.7757(4) 0.5400(5) 0.8652(3) 0.045(2) Uani 1 1 d . A .
C22 C 0.7238(4) 0.5729(5) 0.8756(2) 0.037(2) Uani 1 1 d . A .
C23 C 0.6710(4) 0.5581(5) 0.8451(2) 0.035(2) Uani 1 1 d . A .
C24 C 0.6893(4) 0.5128(5) 0.8162(2) 0.038(2) Uani 1 1 d . . .
C25 C 0.6172(4) 0.8953(5) 0.9317(2) 0.0357(19) Uani 1 1 d . B .
C26 C 0.6372(4) 0.9915(5) 0.9350(2) 0.040(2) Uani 1 1 d . B .
H26 H 0.6420 1.0150 0.9590 0.048 Uiso 1 1 calc R . .
C27 C 0.6526(4) 1.0649(5) 0.9132(2) 0.040(2) Uani 1 1 d . B .
H27 H 0.6651 1.1235 0.9266 0.048 Uiso 1 1 calc R . .
C28 C 0.6543(4) 1.0738(5) 0.8763(2) 0.037(2) Uani 1 1 d . B .
C29 C 0.6357(4) 1.0074(6) 0.8475(2) 0.043(2) Uani 1 1 d . B .
H29 H 0.6408 1.0335 0.8255 0.051 Uiso 1 1 calc R . .
C30 C 0.6115(4) 0.9126(6) 0.8421(2) 0.048(2) Uani 1 1 d . B .
H30 H 0.6026 0.8932 0.8172 0.058 Uiso 1 1 calc R . .
C31 C 0.5971(4) 0.8390(6) 0.8636(3) 0.053(2) Uani 1 1 d . B .
H31 H 0.5802 0.7825 0.8499 0.063 Uiso 1 1 calc R . .
C32 C 0.6019(4) 0.8303(6) 0.9004(3) 0.048(2) Uani 1 1 d . B .
H32 H 0.5930 0.7660 0.9067 0.058 Uiso 1 1 calc R . .
C33A C 0.6269(13) 0.7201(12) 0.9871(7) 0.090(7) Uani 0.72(3) 1 d PU B 9
H33A H 0.6122 0.6978 1.0074 0.136 Uiso 0.72(3) 1 calc PR B 9
H33B H 0.6715 0.7254 0.9955 0.136 Uiso 0.72(3) 1 calc PR B 9
H33C H 0.6148 0.6730 0.9669 0.136 Uiso 0.72(3) 1 calc PR B 9
C33B C 0.590(3) 0.7060(14) 0.9682(16) 0.090(7) Uani 0.28(3) 1 d PDU B 10
H33D H 0.5779 0.6801 0.9890 0.136 Uiso 0.28(3) 1 calc PR B 10
H33E H 0.6303 0.6808 0.9691 0.136 Uiso 0.28(3) 1 calc PR B 10
H33F H 0.5601 0.6856 0.9453 0.136 Uiso 0.28(3) 1 calc PR B 10
C34 C 0.5058(5) 0.8408(10) 0.9525(3) 0.108(5) Uani 1 1 d . B .
H34A H 0.4936 0.8079 0.9287 0.162 Uiso 1 1 calc R . .
H34B H 0.4900 0.9078 0.9497 0.162 Uiso 1 1 calc R . .
H34C H 0.4893 0.8052 0.9698 0.162 Uiso 1 1 calc R . .
C36 C 0.7212(5) 1.1960(7) 0.8320(3) 0.079(4) Uani 1 1 d . . .
H36A H 0.7265 1.2620 0.8234 0.119 Uiso 1 1 calc R . .
H36B H 0.7058 1.1527 0.8109 0.119 Uiso 1 1 calc R . .
H36C H 0.7606 1.1715 0.8474 0.119 Uiso 1 1 calc R . .
C37 C 0.6878(5) 1.2979(6) 0.8964(3) 0.073(3) Uani 1 1 d . . .
H37A H 0.6577 1.2988 0.9101 0.110 Uiso 1 1 calc R . .
H37B H 0.6886 1.3619 0.8851 0.110 Uiso 1 1 calc R . .
H37C H 0.7282 1.2833 0.9132 0.110 Uiso 1 1 calc R . .
C38 C 0.5875(5) 1.2333(7) 0.8272(3) 0.083(4) Uani 1 1 d . . .
H38A H 0.5579 1.2358 0.8412 0.125 Uiso 1 1 calc R . .
H38B H 0.5747 1.1841 0.8078 0.125 Uiso 1 1 calc R . .
H38C H 0.5897 1.2974 0.8162 0.125 Uiso 1 1 calc R . .
C39 C 0.8609(5) 0.7658(7) 0.9267(3) 0.082(4) Uani 1 1 d . . .
H39A H 0.8762 0.7796 0.9058 0.122 Uiso 1 1 calc R . .
H39B H 0.8314 0.7120 0.9205 0.122 Uiso 1 1 calc R . .
H39C H 0.8950 0.7475 0.9479 0.122 Uiso 1 1 calc R . .
C40 C 0.8637(5) 0.9820(8) 0.8941(3) 0.080(4) Uani 1 1 d . . .
H40A H 0.8771 0.9238 0.8836 0.120 Uiso 1 1 calc R . .
H40B H 0.8992 1.0222 0.9063 0.120 Uiso 1 1 calc R . .
H40C H 0.8357 1.0200 0.8744 0.120 Uiso 1 1 calc R . .
C41 C 0.8100(5) 1.1264(6) 0.9406(3) 0.080(4) Uani 1 1 d . . .
H41A H 0.8233 1.1460 0.9194 0.120 Uiso 1 1 calc R . .
H41B H 0.8395 1.1500 0.9631 0.120 Uiso 1 1 calc R . .
H41C H 0.7698 1.1546 0.9384 0.120 Uiso 1 1 calc R . .
C42 C 0.7701(5) 1.0034(8) 1.0001(3) 0.084(4) Uani 1 1 d . . .
H42A H 0.7605 0.9498 1.0145 0.126 Uiso 1 1 calc R . .
H42B H 0.7340 1.0450 0.9908 0.126 Uiso 1 1 calc R . .
H42C H 0.8037 1.0423 1.0156 0.126 Uiso 1 1 calc R . .
C43 C 0.7954(6) 0.7841(8) 0.9904(3) 0.089(4) Uani 1 1 d . . .
H43A H 0.7745 0.8105 1.0073 0.134 Uiso 1 1 calc R . .
H43B H 0.8360 0.7607 1.0043 0.134 Uiso 1 1 calc R . .
H43C H 0.7716 0.7297 0.9765 0.134 Uiso 1 1 calc R . .
C44 C 0.8301(4) 0.8557(6) 0.9357(3) 0.048(2) Uani 1 1 d . B .
C45 C 0.8305(4) 0.9505(7) 0.9222(2) 0.050(2) Uani 1 1 d . B .
C46 C 0.8061(4) 1.0160(6) 0.9418(2) 0.047(2) Uani 1 1 d . . .
C47 C 0.7889(4) 0.9615(7) 0.9679(2) 0.052(2) Uani 1 1 d . . .
C48 C 0.8017(4) 0.8629(7) 0.9642(2) 0.053(2) Uani 1 1 d . B .
C49 C 0.8341(3) 0.5596(5) 0.2525(2) 0.0313(18) Uani 1 1 d . . .
C50 C 0.8330(3) 0.4651(5) 0.23582(19) 0.0290(17) Uani 1 1 d . . .
H50 H 0.8730 0.4401 0.2393 0.035 Uiso 1 1 calc R . .
C51 C 0.7885(4) 0.4008(5) 0.21589(19) 0.0283(17) Uani 1 1 d . . .
H51 H 0.8050 0.3395 0.2121 0.034 Uiso 1 1 calc R . .
C52 C 0.7260(4) 0.4049(5) 0.2004(2) 0.0351(19) Uani 1 1 d . . .
H52 H 0.7101 0.3455 0.1884 0.042 Uiso 1 1 calc R . .
C53 C 0.6798(4) 0.4750(5) 0.1978(2) 0.0323(18) Uani 1 1 d . . .
H53 H 0.6413 0.4543 0.1823 0.039 Uiso 1 1 calc R . .
C54 C 0.6771(3) 0.5681(5) 0.2128(2) 0.0284(17) Uani 1 1 d . . .
C55 C 0.7230(3) 0.6269(5) 0.23609(18) 0.0267(16) Uani 1 1 d . . .
H55 H 0.7061 0.6853 0.2425 0.032 Uiso 1 1 calc R . .
C56 C 0.7863(4) 0.6237(5) 0.25248(19) 0.0305(18) Uani 1 1 d . . .
H56 H 0.8005 0.6794 0.2674 0.037 Uiso 1 1 calc R . .
C57 C 0.9307(5) 0.4931(7) 0.3227(3) 0.068(3) Uani 1 1 d . . .
H57A H 0.9004 0.4978 0.3362 0.102 Uiso 1 1 calc R . .
H57B H 0.9715 0.5054 0.3394 0.102 Uiso 1 1 calc R . .
H57C H 0.9294 0.4274 0.3122 0.102 Uiso 1 1 calc R . .
C58 C 0.9194(5) 0.7080(7) 0.3077(2) 0.070(3) Uani 1 1 d . . .
H58A H 0.9107 0.7597 0.2891 0.104 Uiso 1 1 calc R . .
H58B H 0.9609 0.7165 0.3242 0.104 Uiso 1 1 calc R . .
H58C H 0.8901 0.7118 0.3219 0.104 Uiso 1 1 calc R . .
C59 C 0.9728(4) 0.5717(7) 0.2609(3) 0.060(3) Uani 1 1 d . . .
H59A H 0.9655 0.6188 0.2408 0.090 Uiso 1 1 calc R . .
H59B H 0.9712 0.5052 0.2512 0.090 Uiso 1 1 calc R . .
H59C H 1.0132 0.5836 0.2783 0.090 Uiso 1 1 calc R . .
C60 C 0.5884(4) 0.7231(6) 0.2298(2) 0.048(2) Uani 1 1 d . . .
H60A H 0.6084 0.7118 0.2559 0.072 Uiso 1 1 calc R . .
H60B H 0.5453 0.7390 0.2260 0.072 Uiso 1 1 calc R . .
H60C H 0.6085 0.7775 0.2212 0.072 Uiso 1 1 calc R . .
C61 C 0.5522(4) 0.5125(6) 0.2193(3) 0.059(3) Uani 1 1 d . . .
H61A H 0.5712 0.5010 0.2455 0.089 Uiso 1 1 calc R . .
H61B H 0.5534 0.4523 0.2056 0.089 Uiso 1 1 calc R . .
H61C H 0.5096 0.5326 0.2151 0.089 Uiso 1 1 calc R . .
C62 C 0.5551(4) 0.6281(7) 0.1530(2) 0.059(3) Uani 1 1 d . . .
H62A H 0.5761 0.6794 0.1434 0.088 Uiso 1 1 calc R . .
H62B H 0.5125 0.6474 0.1494 0.088 Uiso 1 1 calc R . .
H62C H 0.5562 0.5669 0.1399 0.088 Uiso 1 1 calc R . .
C63 C 0.7056(4) 0.8344(5) 0.1867(3) 0.051(2) Uani 1 1 d . . .
H63A H 0.6637 0.8294 0.1706 0.076 Uiso 1 1 calc R . .
H63B H 0.7182 0.9031 0.1891 0.076 Uiso 1 1 calc R . .
H63C H 0.7077 0.8080 0.2109 0.076 Uiso 1 1 calc R . .
C64 C 0.8514(4) 0.8110(5) 0.2203(2) 0.052(3) Uani 1 1 d . . .
H64A H 0.8937 0.7907 0.2239 0.077 Uiso 1 1 calc R . .
H64B H 0.8378 0.7889 0.2410 0.077 Uiso 1 1 calc R . .
H64C H 0.8486 0.8824 0.2186 0.077 Uiso 1 1 calc R . .
C65 C 0.8995(4) 0.7063(5) 0.1611(2) 0.044(2) Uani 1 1 d . . .
H65A H 0.9251 0.7207 0.1861 0.066 Uiso 1 1 calc R . .
H65B H 0.9101 0.7508 0.1439 0.066 Uiso 1 1 calc R . .
H65C H 0.9065 0.6387 0.1549 0.066 Uiso 1 1 calc R . .
C66 C 0.7888(4) 0.6723(6) 0.0907(2) 0.051(2) Uani 1 1 d . . .
H66A H 0.8306 0.6513 0.0929 0.076 Uiso 1 1 calc R . .
H66B H 0.7776 0.7266 0.0733 0.076 Uiso 1 1 calc R . .
H66C H 0.7607 0.6176 0.0820 0.076 Uiso 1 1 calc R . .
C67 C 0.6686(4) 0.7551(7) 0.1073(3) 0.059(3) Uani 1 1 d . . .
H67A H 0.6405 0.7807 0.1201 0.089 Uiso 1 1 calc R . .
H67B H 0.6532 0.6926 0.0957 0.089 Uiso 1 1 calc R . .
H67C H 0.6718 0.8018 0.0885 0.089 Uiso 1 1 calc R . .
C68 C 0.7314(4) 0.7399(5) 0.1346(2) 0.0321(18) Uani 1 1 d . . .
C69 C 0.7475(4) 0.7773(5) 0.1706(2) 0.038(2) Uani 1 1 d . . .
C70 C 0.8112(4) 0.7665(5) 0.1854(2) 0.037(2) Uani 1 1 d . . .
C71 C 0.8342(4) 0.7193(5) 0.1591(2) 0.0309(18) Uani 1 1 d . . .
C72 C 0.7850(4) 0.7048(5) 0.1272(2) 0.0346(19) Uani 1 1 d . . .
C73 C 0.8640(4) 0.2845(5) 0.0682(2) 0.0351(19) Uani 1 1 d . . .
H73 H 0.8576 0.2639 0.0436 0.042 Uiso 1 1 calc R . .
C74 C 0.8504(4) 0.2095(5) 0.0893(2) 0.038(2) Uani 1 1 d . . .
H74 H 0.8393 0.1510 0.0755 0.046 Uiso 1 1 calc R . .
C75 C 0.8489(4) 0.1980(5) 0.1262(2) 0.0362(19) Uani 1 1 d . . .
C76 C 0.8676(4) 0.2633(5) 0.1566(2) 0.0374(19) Uani 1 1 d . . .
H76 H 0.8613 0.2358 0.1781 0.045 Uiso 1 1 calc R . .
C77 C 0.8924(4) 0.3559(5) 0.1631(2) 0.0349(19) Uani 1 1 d . . .
H77 H 0.9027 0.3730 0.1883 0.042 Uiso 1 1 calc R . .
C78 C 0.9061(4) 0.4302(5) 0.1421(2) 0.0334(18) Uani 1 1 d . . .
H78 H 0.9229 0.4860 0.1562 0.040 Uiso 1 1 calc R . .
C79 C 0.9009(3) 0.4422(5) 0.1051(2) 0.0364(19) Uani 1 1 d . . .
H79 H 0.9107 0.5070 0.0999 0.044 Uiso 1 1 calc R . .
C80 C 0.8847(4) 0.3827(5) 0.0730(2) 0.039(2) Uani 1 1 d . C .
C82 C 0.9154(5) 0.0287(6) 0.1686(3) 0.074(3) Uani 1 1 d . . .
H82A H 0.9420 0.0285 0.1527 0.112 Uiso 1 1 calc R . .
H82B H 0.9132 -0.0374 0.1780 0.112 Uiso 1 1 calc R . .
H82C H 0.9321 0.0734 0.1892 0.112 Uiso 1 1 calc R . .
C83 C 0.7857(5) 0.0699(7) 0.1716(3) 0.076(4) Uani 1 1 d . . .
H83A H 0.8002 0.1180 0.1912 0.114 Uiso 1 1 calc R . .
H83B H 0.7857 0.0048 0.1823 0.114 Uiso 1 1 calc R . .
H83C H 0.7441 0.0866 0.1569 0.114 Uiso 1 1 calc R . .
C85A C 1.001(3) 0.473(5) 0.0525(18) 0.070(4) Uani 0.20(2) 1 d PU C 13
H85A H 1.0135 0.5014 0.0322 0.105 Uiso 0.20(2) 1 calc PR C 13
H85B H 1.0250 0.4148 0.0616 0.105 Uiso 0.20(2) 1 calc PR C 13
H85C H 1.0073 0.5216 0.0722 0.105 Uiso 0.20(2) 1 calc PR C 13
C87A C 0.921(3) 0.585(4) 0.0401(18) 0.070(4) Uani 0.20(2) 1 d PU C 13
H87A H 0.9335 0.6106 0.0194 0.105 Uiso 0.20(2) 1 calc PR C 13
H87B H 0.9530 0.5982 0.0630 0.105 Uiso 0.20(2) 1 calc PR C 13
H87C H 0.8829 0.6156 0.0407 0.105 Uiso 0.20(2) 1 calc PR C 13
C85B C 0.9928(7) 0.4226(13) 0.0467(4) 0.070(4) Uani 0.80(2) 1 d PU C 14
H85D H 1.0078 0.4494 0.0271 0.105 Uiso 0.80(2) 1 calc PR C 14
H85E H 1.0035 0.3531 0.0500 0.105 Uiso 0.80(2) 1 calc PR C 14
H85F H 1.0116 0.4578 0.0695 0.105 Uiso 0.80(2) 1 calc PR C 14
C87B C 0.8823(9) 0.5640(10) 0.0243(5) 0.070(4) Uani 0.80(2) 1 d PU C 14
H87D H 0.8956 0.5892 0.0038 0.105 Uiso 0.80(2) 1 calc PR C 14
H87E H 0.8999 0.6043 0.0461 0.105 Uiso 0.80(2) 1 calc PR C 14
H87F H 0.8377 0.5663 0.0179 0.105 Uiso 0.80(2) 1 calc PR C 14
C86A C 0.8661(11) 0.3858(16) -0.0099(6) 0.064(6) Uani 0.494(13) 1 d PU C 3
H86A H 0.8740 0.3155 -0.0101 0.095 Uiso 0.494(13) 1 calc PR C 3
H86B H 0.8791 0.4176 -0.0294 0.095 Uiso 0.494(13) 1 calc PR C 3
H86C H 0.8224 0.3970 -0.0140 0.095 Uiso 0.494(13) 1 calc PR C 3
C86B C 0.8905(11) 0.3587(15) -0.0080(5) 0.064(6) Uani 0.494(13) 1 d PDU C 4
H86D H 0.9206 0.3059 -0.0045 0.095 Uiso 0.494(13) 1 calc PR C 4
H86E H 0.8920 0.3986 -0.0290 0.095 Uiso 0.494(13) 1 calc PR C 4
H86F H 0.8496 0.3307 -0.0126 0.095 Uiso 0.494(13) 1 calc PR C 4
C88 C 0.7121(4) 0.3179(7) 0.0371(3) 0.053(2) Uani 1 1 d . C .
C89 C 0.6932(4) 0.2635(6) 0.0632(3) 0.057(3) Uani 1 1 d D C .
C90 C 0.6695(4) 0.3291(8) 0.0838(3) 0.059(3) Uani 1 1 d D . .
C91 C 0.6733(4) 0.4237(7) 0.0710(3) 0.056(3) Uani 1 1 d D C .
C92 C 0.7007(4) 0.4162(7) 0.0418(3) 0.054(3) Uani 1 1 d . . .
C93 C 0.7083(6) 0.4959(8) 0.0164(3) 0.099(4) Uani 1 1 d . D .
H93A H 0.6977 0.5589 0.0251 0.149 Uiso 1 1 calc R . .
H93B H 0.6813 0.4832 -0.0083 0.149 Uiso 1 1 calc R . .
H93C H 0.7507 0.4974 0.0159 0.149 Uiso 1 1 calc R . .
C94 C 0.7303(5) 0.2733(8) 0.0054(3) 0.075(3) Uani 1 1 d . . .
H94A H 0.7353 0.2026 0.0089 0.113 Uiso 1 1 calc R D .
H94B H 0.7689 0.3021 0.0043 0.113 Uiso 1 1 calc R . .
H94C H 0.6985 0.2866 -0.0176 0.113 Uiso 1 1 calc R . .
C95 C 0.6883(5) 0.1525(7) 0.0637(3) 0.084(4) Uani 1 1 d . . .
H95A H 0.6750 0.1322 0.0848 0.127 Uiso 1 1 calc R D .
H95B H 0.7282 0.1236 0.0656 0.127 Uiso 1 1 calc R . .
H95C H 0.6585 0.1303 0.0410 0.127 Uiso 1 1 calc R . .
C96A C 0.626(5) 0.300(4) 0.105(3) 0.085(6) Uani 0.17(10) 1 d PDU D 5
H96A H 0.6512 0.2462 0.1180 0.127 Uiso 0.17(10) 1 calc PR D 5
H96B H 0.6305 0.3569 0.1208 0.127 Uiso 0.17(10) 1 calc PR D 5
H96C H 0.6377 0.3162 0.0830 0.127 Uiso 0.17(10) 1 calc PR D 5
C96B C 0.6400(14) 0.2997(13) 0.1128(8) 0.085(6) Uani 0.83(10) 1 d PDU D 6
H96D H 0.6694 0.2630 0.1322 0.127 Uiso 0.83(10) 1 calc PR D 6
H96E H 0.6043 0.2587 0.1017 0.127 Uiso 0.83(10) 1 calc PR D 6
H96F H 0.6272 0.3584 0.1233 0.127 Uiso 0.83(10) 1 calc PR D 6
C97A C 0.645(3) 0.484(6) 0.092(2) 0.067(7) Uani 0.24(6) 1 d PU C 7
H97A H 0.6347 0.4434 0.1109 0.101 Uiso 0.24(6) 1 calc PR C 7
H97B H 0.6083 0.5138 0.0764 0.101 Uiso 0.24(6) 1 calc PR C 7
H97C H 0.6739 0.5350 0.1047 0.101 Uiso 0.24(6) 1 calc PR C 7
C97B C 0.6444(8) 0.519(2) 0.0783(9) 0.067(7) Uani 0.76(6) 1 d PU C 8
H97D H 0.6284 0.5102 0.0992 0.101 Uiso 0.76(6) 1 calc PR C 8
H97E H 0.6110 0.5366 0.0566 0.101 Uiso 0.76(6) 1 calc PR C 8
H97F H 0.6753 0.5706 0.0837 0.101 Uiso 0.76(6) 1 calc PR C 8
O1 O 0.7338(2) 0.7893(3) 0.86910(14) 0.0367(13) Uani 1 1 d . A .
O2 O 0.7716(2) 0.4888(3) 0.13542(13) 0.0294(12) Uani 1 1 d . . .
Si1 Si 0.59253(14) 0.84392(18) 0.97072(8) 0.0574(8) Uani 1 1 d D . .
Si2 Si 0.66590(14) 1.19949(17) 0.85909(7) 0.0538(7) Uani 1 1 d . . .
Si3 Si 0.59682(10) 0.68007(14) 0.71598(6) 0.0324(5) Uani 1 1 d . . .
Si4 Si 0.91342(10) 0.69347(16) 0.80615(6) 0.0379(5) Uani 1 1 d . . .
Si5 Si 0.90844(12) 0.43650(17) 0.03398(7) 0.0462(6) Uani 1 1 d D . .
Si6 Si 0.83696(13) 0.07012(16) 0.14187(7) 0.0459(7) Uani 1 1 d . . .
Si7 Si 0.91308(11) 0.58619(16) 0.28482(6) 0.0356(5) Uani 1 1 d . . .
Si8 Si 0.59428(10) 0.61032(14) 0.20333(6) 0.0314(5) Uani 1 1 d . . .
U1 U 0.710532(14) 0.900914(19) 0.900456(8) 0.03135(8) Uani 1 1 d . . .
U2 U 0.735260(13) 0.705826(18) 0.822691(7) 0.02478(8) Uani 1 1 d . . .
U3 U 0.767618(12) 0.575267(17) 0.180263(7) 0.02315(7) Uani 1 1 d . D .
U4 U 0.792717(13) 0.373248(18) 0.104563(8) 0.02842(8) Uani 1 1 d . C .
C84 C 0.8085(5) -0.0228(6) 0.1046(2) 0.064(3) Uani 1 1 d . . .
H84A H 0.8352 -0.0233 0.0887 0.095 Uiso 1 1 calc R . .
H84B H 0.7668 -0.0060 0.0902 0.095 Uiso 1 1 calc R . .
H84C H 0.8086 -0.0876 0.1156 0.095 Uiso 1 1 calc R . .
C35 C 0.6176(7) 0.9220(10) 1.0134(3) 0.108(5) Uani 1 1 d . B .
C13 C 0.9284(5) 0.5687(7) 0.7919(3) 0.083(3) Uiso 1 1 d . A .
H13A H 0.9109 0.5622 0.7654 0.124 Uiso 1 1 calc R . .
H13B H 0.9096 0.5206 0.8043 0.124 Uiso 1 1 calc R . .
H13C H 0.9725 0.5575 0.7987 0.124 Uiso 1 1 calc R . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 1.398(10) . ?
C1 C8 1.442(9) . ?
C1 Si3 1.889(7) . ?
C1 U2 2.753(7) . ?
C2 C3 1.418(10) . ?
C2 U2 2.745(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.428(10) . ?
C3 U2 2.691(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.429(9) . ?
C4 Si4 1.894(8) . ?
C4 U2 2.698(7) . ?
C5 C6 1.403(10) . ?
C5 U2 2.689(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.386(10) . ?
C6 U2 2.723(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.385(9) . ?
C7 U2 2.715(7) . ?
C7 H7 0.9500 . ?
C8 U2 2.664(7) . ?
C8 H8 0.9500 . ?
C9 Si3 1.878(8) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si3 1.903(8) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si3 1.903(8) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si4 1.878(9) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C14A Si4 1.946(18) . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C14B Si4 1.789(18) . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15 C20 1.500(10) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.490(12) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.493(10) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C23 1.526(11) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C24 1.484(11) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.418(11) . ?
C20 C24 1.420(11) . ?
C20 U2 2.813(7) . ?
C21 C22 1.431(11) . ?
C21 U2 2.787(8) . ?
C22 C23 1.426(11) . ?
C22 U2 2.787(7) . ?
C23 C24 1.429(10) . ?
C23 U2 2.779(7) . ?
C24 U2 2.827(7) . ?
C25 C26 1.387(10) . ?
C25 C32 1.448(11) . ?
C25 Si1 1.878(8) . ?
C25 U1 2.739(7) . ?
C26 C27 1.414(10) . ?
C26 U1 2.719(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.427(10) . ?
C27 U1 2.722(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.391(10) . ?
C28 Si2 1.887(8) . ?
C28 U1 2.722(7) . ?
C29 C30 1.403(11) . ?
C29 U1 2.668(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.400(12) . ?
C30 U1 2.677(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.381(12) . ?
C31 U1 2.704(9) . ?
C31 H31 0.9500 . ?
C32 U1 2.670(9) . ?
C32 H32 0.9500 . ?
C33A Si1 1.897(14) . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C33A H33C 0.9800 . ?
C33B Si1 1.890(19) . ?
C33B H33D 0.9800 . ?
C33B H33E 0.9800 . ?
C33B H33F 0.9800 . ?
C34 Si1 1.903(12) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C36 Si2 1.857(10) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 Si2 1.918(10) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 Si2 1.907(11) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C44 1.507(11) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C45 1.550(12) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C46 1.515(11) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C47 1.529(12) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C48 1.505(12) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.398(12) . ?
C44 C48 1.425(12) . ?
C44 U1 2.745(8) . ?
C45 C46 1.385(11) . ?
C45 U1 2.715(9) . ?
C46 C47 1.392(12) . ?
C46 U1 2.783(8) . ?
C47 C48 1.397(11) . ?
C47 U1 2.798(9) . ?
C48 U1 2.753(8) . ?
C49 C56 1.403(10) . ?
C49 C50 1.440(9) . ?
C49 Si7 1.903(8) . ?
C49 U3 2.741(7) . ?
C50 C51 1.393(10) . ?
C50 U3 2.675(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.380(10) . ?
C51 U3 2.720(6) . ?
C51 H51 0.9500 . ?
C52 C53 1.410(10) . ?
C52 U3 2.715(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.406(9) . ?
C53 U3 2.678(7) . ?
C53 H53 0.9500 . ?
C54 C55 1.413(10) . ?
C54 Si8 1.914(8) . ?
C54 U3 2.713(7) . ?
C55 C56 1.401(10) . ?
C55 U3 2.714(7) . ?
C55 H55 0.9500 . ?
C56 U3 2.745(7) . ?
C56 H56 0.9500 . ?
C57 Si7 1.881(9) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 Si7 1.869(9) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 Si7 1.865(9) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 Si8 1.870(8) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 Si8 1.854(8) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 Si8 1.884(9) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C69 1.502(10) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 C70 1.507(11) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C71 1.486(11) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C72 1.488(10) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.523(11) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 C69 1.409(11) . ?
C68 C72 1.423(10) . ?
C68 U3 2.821(7) . ?
C69 C70 1.409(11) . ?
C69 U3 2.810(7) . ?
C70 C71 1.422(10) . ?
C70 U3 2.788(7) . ?
C71 C72 1.409(11) . ?
C71 U3 2.755(7) . ?
C72 U3 2.807(7) . ?
C73 C74 1.396(10) . ?
C73 C80 1.419(10) . ?
C73 U4 2.722(7) . ?
C73 H73 0.9500 . ?
C74 C75 1.430(10) . ?
C74 U4 2.750(7) . ?
C74 H74 0.9500 . ?
C75 C76 1.428(10) . ?
C75 Si6 1.894(7) . ?
C75 U4 2.734(7) . ?
C76 C77 1.382(10) . ?
C76 U4 2.676(8) . ?
C76 H76 0.9500 . ?
C77 C78 1.388(10) . ?
C77 U4 2.697(8) . ?
C77 H77 0.9500 . ?
C78 C79 1.389(10) . ?
C78 U4 2.687(8) . ?
C78 H78 0.9500 . ?
C79 C80 1.430(11) . ?
C79 U4 2.646(8) . ?
C79 H79 0.9500 . ?
C80 Si5 1.878(8) . ?
C80 U4 2.722(8) . ?
C82 Si6 1.877(10) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 Si6 1.857(9) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C85A Si5 2.09(6) . ?
C85A H85A 0.9800 . ?
C85A H85B 0.9800 . ?
C85A H85C 0.9800 . ?
C87A Si5 2.05(6) . ?
C87A H87A 0.9800 . ?
C87A H87B 0.9800 . ?
C87A H87C 0.9800 . ?
C85B Si5 1.860(14) . ?
C85B H85D 0.9800 . ?
C85B H85E 0.9800 . ?
C85B H85F 0.9800 . ?
C87B Si5 1.847(12) . ?
C87B H87D 0.9800 . ?
C87B H87E 0.9800 . ?
C87B H87F 0.9800 . ?
C86A Si5 1.81(2) . ?
C86A H86A 0.9800 . ?
C86A H86B 0.9800 . ?
C86A H86C 0.9800 . ?
C86B Si5 1.867(16) . ?
C86B H86D 0.9800 . ?
C86B H86E 0.9800 . ?
C86B H86F 0.9800 . ?
C88 C92 1.392(12) . ?
C88 C89 1.413(13) . ?
C88 C94 1.519(12) . ?
C88 U4 2.800(9) . ?
C89 C90 1.403(12) . ?
C89 C95 1.524(12) . ?
C89 U4 2.799(8) . ?
C90 C91 1.396(13) . ?
C90 C96B 1.510(13) . ?
C90 U4 2.767(9) . ?
C91 C92 1.434(13) . ?
C91 C97A 1.44(6) . ?
C91 C97B 1.52(2) . ?
C91 U4 2.747(9) . ?
C92 C93 1.503(13) . ?
C92 U4 2.750(9) . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96A H96A 0.9800 . ?
C96A H96B 0.9800 . ?
C96A H96C 0.9800 . ?
C96B H96D 0.9800 . ?
C96B H96E 0.9800 . ?
C96B H96F 0.9800 . ?
C97A H97A 0.9800 . ?
C97A H97B 0.9800 . ?
C97A H97C 0.9800 . ?
C97B H97D 0.9800 . ?
C97B H97E 0.9800 . ?
C97B H97F 0.9800 . ?
O1 U1 2.104(4) . ?
O1 U2 2.117(5) . ?
O2 U3 2.105(4) . ?
O2 U4 2.112(4) . ?
Si1 C35 1.893(12) . ?
Si4 C13 1.853(10) . ?
Si6 C84 1.875(9) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?

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 C8 130.4(7) . . ?
C2 C1 Si3 119.1(5) . . ?
C8 C1 Si3 110.0(5) . . ?
C2 C1 U2 74.9(4) . . ?
C8 C1 U2 71.2(4) . . ?
Si3 C1 U2 140.7(3) . . ?
C1 C2 C3 137.1(7) . . ?
C1 C2 U2 75.6(4) . . ?
C3 C2 U2 72.8(4) . . ?
C1 C2 H2 111.5 . . ?
C3 C2 H2 111.5 . . ?
U2 C2 H2 138.1 . . ?
C2 C3 C4 137.5(7) . . ?
C2 C3 U2 77.0(4) . . ?
C4 C3 U2 74.9(4) . . ?
C2 C3 H3 111.3 . . ?
C4 C3 H3 111.3 . . ?
U2 C3 H3 132.0 . . ?
C3 C4 C5 130.5(7) . . ?
C3 C4 Si4 117.6(5) . . ?
C5 C4 Si4 111.3(6) . . ?
C3 C4 U2 74.4(4) . . ?
C5 C4 U2 74.3(4) . . ?
Si4 C4 U2 139.3(4) . . ?
C6 C5 C4 135.3(7) . . ?
C6 C5 U2 76.3(4) . . ?
C4 C5 U2 74.9(4) . . ?
C6 C5 H5 112.3 . . ?
C4 C5 H5 112.3 . . ?
U2 C5 H5 130.8 . . ?
C7 C6 C5 136.6(7) . . ?
C7 C6 U2 74.9(4) . . ?
C5 C6 U2 73.6(4) . . ?
C7 C6 H6 111.7 . . ?
C5 C6 H6 111.7 . . ?
U2 C6 H6 137.2 . . ?
C8 C7 C6 135.2(7) . . ?
C8 C7 U2 73.1(4) . . ?
C6 C7 U2 75.6(4) . . ?
C8 C7 H7 112.4 . . ?
C6 C7 H7 112.4 . . ?
U2 C7 H7 135.2 . . ?
C7 C8 C1 136.5(7) . . ?
C7 C8 U2 77.1(4) . . ?
C1 C8 U2 78.0(4) . . ?
C7 C8 H8 111.7 . . ?
C1 C8 H8 111.7 . . ?
U2 C8 H8 125.6 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si3 C10 H10A 109.5 . . ?
Si3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si4 C12 H12A 109.5 . . ?
Si4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si4 C14A H14A 109.5 . . ?
Si4 C14A H14B 109.5 . . ?
H14A C14A H14B 109.5 . . ?
Si4 C14A H14C 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
Si4 C14B H14D 109.5 . . ?
Si4 C14B H14E 109.5 . . ?
H14D C14B H14E 109.5 . . ?
Si4 C14B H14F 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
C20 C15 H15A 109.5 . . ?
C20 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C20 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 H16A 109.5 . . ?
C21 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C21 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 H17A 109.5 . . ?
C22 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C22 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 H18A 109.5 . . ?
C23 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C23 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 H19A 109.5 . . ?
C24 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C24 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C24 109.6(7) . . ?
C21 C20 C15 126.1(9) . . ?
C24 C20 C15 123.6(8) . . ?
C21 C20 U2 74.3(4) . . ?
C24 C20 U2 76.0(4) . . ?
C15 C20 U2 124.2(5) . . ?
C20 C21 C22 107.2(8) . . ?
C20 C21 C16 124.7(8) . . ?
C22 C21 C16 126.5(9) . . ?
C20 C21 U2 76.3(4) . . ?
C22 C21 U2 75.1(4) . . ?
C16 C21 U2 125.7(6) . . ?
C23 C22 C21 107.7(7) . . ?
C23 C22 C17 124.4(8) . . ?
C21 C22 C17 127.5(9) . . ?
C23 C22 U2 74.8(4) . . ?
C21 C22 U2 75.1(4) . . ?
C17 C22 U2 121.3(5) . . ?
C22 C23 C24 108.7(7) . . ?
C22 C23 C18 124.9(8) . . ?
C24 C23 C18 125.7(8) . . ?
C22 C23 U2 75.5(4) . . ?
C24 C23 U2 77.1(4) . . ?
C18 C23 U2 121.9(5) . . ?
C20 C24 C23 106.7(7) . . ?
C20 C24 C19 125.2(8) . . ?
C23 C24 C19 127.2(8) . . ?
C20 C24 U2 74.9(4) . . ?
C23 C24 U2 73.4(4) . . ?
C19 C24 U2 125.5(5) . . ?
C26 C25 C32 130.6(7) . . ?
C26 C25 Si1 116.9(6) . . ?
C32 C25 Si1 111.6(6) . . ?
C26 C25 U1 74.5(4) . . ?
C32 C25 U1 71.8(5) . . ?
Si1 C25 U1 144.2(4) . . ?
C25 C26 C27 139.0(7) . . ?
C25 C26 U1 76.1(4) . . ?
C27 C26 U1 75.1(4) . . ?
C25 C26 H26 110.5 . . ?
C27 C26 H26 110.5 . . ?
U1 C26 H26 135.4 . . ?
C26 C27 C28 136.6(7) . . ?
C26 C27 U1 74.8(4) . . ?
C28 C27 U1 74.8(4) . . ?
C26 C27 H27 111.7 . . ?
C28 C27 H27 111.7 . . ?
U1 C27 H27 135.0 . . ?
C29 C28 C27 129.2(7) . . ?
C29 C28 Si2 111.3(6) . . ?
C27 C28 Si2 117.9(5) . . ?
C29 C28 U1 72.9(4) . . ?
C27 C28 U1 74.8(4) . . ?
Si2 C28 U1 144.1(4) . . ?
C28 C29 C30 137.4(8) . . ?
C28 C29 U1 77.2(5) . . ?
C30 C29 U1 75.1(5) . . ?
C28 C29 H29 111.3 . . ?
C30 C29 H29 111.3 . . ?
U1 C29 H29 131.0 . . ?
C31 C30 C29 137.1(8) . . ?
C31 C30 U1 76.0(5) . . ?
C29 C30 U1 74.4(5) . . ?
C31 C30 H30 111.5 . . ?
C29 C30 H30 111.5 . . ?
U1 C30 H30 134.2 . . ?
C32 C31 C30 134.1(8) . . ?
C32 C31 U1 73.7(5) . . ?
C30 C31 U1 73.9(5) . . ?
C32 C31 H31 113.0 . . ?
C30 C31 H31 113.0 . . ?
U1 C31 H31 135.7 . . ?
C31 C32 C25 135.6(8) . . ?
C31 C32 U1 76.5(5) . . ?
C25 C32 U1 77.1(5) . . ?
C31 C32 H32 112.2 . . ?
C25 C32 H32 112.2 . . ?
U1 C32 H32 127.1 . . ?
Si1 C33A H33A 109.5 . . ?
Si1 C33A H33B 109.5 . . ?
H33A C33A H33B 109.5 . . ?
Si1 C33A H33C 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
Si1 C33B H33D 109.5 . . ?
Si1 C33B H33E 109.5 . . ?
H33D C33B H33E 109.5 . . ?
Si1 C33B H33F 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
Si1 C34 H34A 109.5 . . ?
Si1 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si1 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si2 C36 H36A 109.5 . . ?
Si2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C37 H37A 109.5 . . ?
Si2 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si2 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si2 C38 H38A 109.5 . . ?
Si2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C44 C39 H39A 109.5 . . ?
C44 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C44 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C45 C40 H40A 109.5 . . ?
C45 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C45 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C46 C41 H41A 109.5 . . ?
C46 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C46 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C47 C42 H42A 109.5 . . ?
C47 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C47 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C48 C43 H43A 109.5 . . ?
C48 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C48 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C48 105.7(7) . . ?
C45 C44 C39 128.2(9) . . ?
C48 C44 C39 125.5(9) . . ?
C45 C44 U1 74.0(5) . . ?
C48 C44 U1 75.3(5) . . ?
C39 C44 U1 122.6(6) . . ?
C46 C45 C44 110.8(8) . . ?
C46 C45 C40 123.5(9) . . ?
C44 C45 C40 124.9(9) . . ?
C46 C45 U1 78.2(5) . . ?
C44 C45 U1 76.4(5) . . ?
C40 C45 U1 121.0(6) . . ?
C45 C46 C47 106.5(8) . . ?
C45 C46 C41 126.3(9) . . ?
C47 C46 C41 126.0(8) . . ?
C45 C46 U1 72.7(5) . . ?
C47 C46 U1 76.2(5) . . ?
C41 C46 U1 126.2(6) . . ?
C46 C47 C48 109.5(8) . . ?
C46 C47 C42 125.6(9) . . ?
C48 C47 C42 124.1(9) . . ?
C46 C47 U1 74.9(5) . . ?
C48 C47 U1 73.7(5) . . ?
C42 C47 U1 126.5(7) . . ?
C47 C48 C44 107.5(8) . . ?
C47 C48 C43 124.2(9) . . ?
C44 C48 C43 127.6(9) . . ?
C47 C48 U1 77.2(5) . . ?
C44 C48 U1 74.6(5) . . ?
C43 C48 U1 121.7(7) . . ?
C56 C49 C50 130.5(7) . . ?
C56 C49 Si7 118.4(5) . . ?
C50 C49 Si7 110.4(5) . . ?
C56 C49 U3 75.3(4) . . ?
C50 C49 U3 72.1(4) . . ?
Si7 C49 U3 141.2(3) . . ?
C51 C50 C49 136.4(7) . . ?
C51 C50 U3 76.8(4) . . ?
C49 C50 U3 77.1(4) . . ?
C51 C50 H50 111.8 . . ?
C49 C50 H50 111.8 . . ?
U3 C50 H50 127.3 . . ?
C52 C51 C50 135.3(7) . . ?
C52 C51 U3 75.1(4) . . ?
C50 C51 U3 73.3(4) . . ?
C52 C51 H51 112.3 . . ?
C50 C51 H51 112.3 . . ?
U3 C51 H51 135.9 . . ?
C51 C52 C53 136.0(7) . . ?
C51 C52 U3 75.5(4) . . ?
C53 C52 U3 73.4(4) . . ?
C51 C52 H52 112.0 . . ?
C53 C52 H52 112.0 . . ?
U3 C52 H52 135.6 . . ?
C54 C53 C52 135.3(7) . . ?
C54 C53 U3 76.3(4) . . ?
C52 C53 U3 76.3(4) . . ?
C54 C53 H53 112.3 . . ?
C52 C53 H53 112.3 . . ?
U3 C53 H53 128.6 . . ?
C53 C54 C55 131.2(7) . . ?
C53 C54 Si8 110.9(5) . . ?
C55 C54 Si8 117.4(5) . . ?
C53 C54 U3 73.5(4) . . ?
C55 C54 U3 75.0(4) . . ?
Si8 C54 U3 138.8(3) . . ?
C56 C55 C54 138.2(7) . . ?
C56 C55 U3 76.3(4) . . ?
C54 C55 U3 74.9(4) . . ?
C56 C55 H55 110.9 . . ?
C54 C55 H55 110.9 . . ?
U3 C55 H55 134.2 . . ?
C55 C56 C49 136.5(7) . . ?
C55 C56 U3 73.9(4) . . ?
C49 C56 U3 75.0(4) . . ?
C55 C56 H56 111.8 . . ?
C49 C56 H56 111.8 . . ?
U3 C56 H56 136.2 . . ?
Si7 C57 H57A 109.5 . . ?
Si7 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
Si7 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
Si7 C58 H58A 109.5 . . ?
Si7 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
Si7 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
Si7 C59 H59A 109.5 . . ?
Si7 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
Si7 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
Si8 C60 H60A 109.5 . . ?
Si8 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
Si8 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
Si8 C61 H61A 109.5 . . ?
Si8 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
Si8 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
Si8 C62 H62A 109.5 . . ?
Si8 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
Si8 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C69 C63 H63A 109.5 . . ?
C69 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C69 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C70 C64 H64A 109.5 . . ?
C70 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C70 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C71 C65 H65A 109.5 . . ?
C71 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C71 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C72 C66 H66A 109.5 . . ?
C72 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C72 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C69 C68 C72 108.8(7) . . ?
C69 C68 C67 122.9(7) . . ?
C72 C68 C67 127.3(8) . . ?
C69 C68 U3 75.1(4) . . ?
C72 C68 U3 74.8(4) . . ?
C67 C68 U3 125.4(5) . . ?
C70 C69 C68 107.4(7) . . ?
C70 C69 C63 126.9(8) . . ?
C68 C69 C63 124.8(8) . . ?
C70 C69 U3 74.6(4) . . ?
C68 C69 U3 75.9(4) . . ?
C63 C69 U3 123.9(5) . . ?
C69 C70 C71 108.5(7) . . ?
C69 C70 C64 127.2(7) . . ?
C71 C70 C64 123.5(8) . . ?
C69 C70 U3 76.3(4) . . ?
C71 C70 U3 73.9(4) . . ?
C64 C70 U3 123.7(5) . . ?
C72 C71 C70 107.8(7) . . ?
C72 C71 C65 124.6(7) . . ?
C70 C71 C65 126.4(7) . . ?
C72 C71 U3 77.4(4) . . ?
C70 C71 U3 76.4(4) . . ?
C65 C71 U3 122.3(5) . . ?
C71 C72 C68 107.4(7) . . ?
C71 C72 C66 126.7(8) . . ?
C68 C72 C66 125.3(8) . . ?
C71 C72 U3 73.3(4) . . ?
C68 C72 U3 75.9(4) . . ?
C66 C72 U3 123.1(5) . . ?
C74 C73 C80 138.2(7) . . ?
C74 C73 U4 76.4(4) . . ?
C80 C73 U4 74.9(4) . . ?
C74 C73 H73 110.9 . . ?
C80 C73 H73 110.9 . . ?
U4 C73 H73 134.0 . . ?
C73 C74 C75 136.5(7) . . ?
C73 C74 U4 74.1(4) . . ?
C75 C74 U4 74.2(4) . . ?
C73 C74 H74 111.8 . . ?
C75 C74 H74 111.8 . . ?
U4 C74 H74 137.4 . . ?
C76 C75 C74 130.2(7) . . ?
C76 C75 Si6 111.0(6) . . ?
C74 C75 Si6 117.4(5) . . ?
C76 C75 U4 72.5(4) . . ?
C74 C75 U4 75.5(4) . . ?
Si6 C75 U4 143.8(4) . . ?
C77 C76 C75 136.8(7) . . ?
C77 C76 U4 76.0(4) . . ?
C75 C76 U4 76.9(4) . . ?
C77 C76 H76 111.6 . . ?
C75 C76 H76 111.6 . . ?
U4 C76 H76 129.5 . . ?
C76 C77 C78 136.0(7) . . ?
C76 C77 U4 74.2(5) . . ?
C78 C77 U4 74.6(5) . . ?
C76 C77 H77 112.0 . . ?
C78 C77 H77 112.0 . . ?
U4 C77 H77 135.7 . . ?
C79 C78 C77 135.1(7) . . ?
C79 C78 U4 73.3(5) . . ?
C77 C78 U4 75.5(5) . . ?
C79 C78 H78 112.5 . . ?
C77 C78 H78 112.5 . . ?
U4 C78 H78 134.8 . . ?
C78 C79 C80 136.7(7) . . ?
C78 C79 U4 76.5(5) . . ?
C80 C79 U4 77.5(5) . . ?
C78 C79 H79 111.6 . . ?
C80 C79 H79 111.6 . . ?
U4 C79 H79 127.6 . . ?
C73 C80 C79 130.0(7) . . ?
C73 C80 Si5 115.6(6) . . ?
C79 C80 Si5 113.3(6) . . ?
C73 C80 U4 74.9(4) . . ?
C79 C80 U4 71.6(4) . . ?
Si5 C80 U4 144.3(4) . . ?
Si6 C82 H82A 109.5 . . ?
Si6 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
Si6 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
Si6 C83 H83A 109.5 . . ?
Si6 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
Si6 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
Si5 C85A H85A 109.5 . . ?
Si5 C85A H85B 109.5 . . ?
H85A C85A H85B 109.5 . . ?
Si5 C85A H85C 109.5 . . ?
H85A C85A H85C 109.5 . . ?
H85B C85A H85C 109.5 . . ?
Si5 C87A H87A 109.5 . . ?
Si5 C87A H87B 109.5 . . ?
H87A C87A H87B 109.5 . . ?
Si5 C87A H87C 109.5 . . ?
H87A C87A H87C 109.5 . . ?
H87B C87A H87C 109.5 . . ?
Si5 C85B H85D 109.5 . . ?
Si5 C85B H85E 109.5 . . ?
H85D C85B H85E 109.5 . . ?
Si5 C85B H85F 109.5 . . ?
H85D C85B H85F 109.5 . . ?
H85E C85B H85F 109.5 . . ?
Si5 C87B H87D 109.5 . . ?
Si5 C87B H87E 109.5 . . ?
H87D C87B H87E 109.5 . . ?
Si5 C87B H87F 109.5 . . ?
H87D C87B H87F 109.5 . . ?
H87E C87B H87F 109.5 . . ?
Si5 C86A H86A 109.5 . . ?
Si5 C86A H86B 109.5 . . ?
H86A C86A H86B 109.5 . . ?
Si5 C86A H86C 109.5 . . ?
H86A C86A H86C 109.5 . . ?
H86B C86A H86C 109.5 . . ?
Si5 C86B H86D 109.5 . . ?
Si5 C86B H86E 109.5 . . ?
H86D C86B H86E 109.5 . . ?
Si5 C86B H86F 109.5 . . ?
H86D C86B H86F 109.5 . . ?
H86E C86B H86F 109.5 . . ?
C92 C88 C89 107.9(8) . . ?
C92 C88 C94 126.7(10) . . ?
C89 C88 C94 124.4(9) . . ?
C92 C88 U4 73.5(5) . . ?
C89 C88 U4 75.4(5) . . ?
C94 C88 U4 125.5(6) . . ?
C90 C89 C88 108.0(8) . . ?
C90 C89 C95 126.1(10) . . ?
C88 C89 C95 124.9(9) . . ?
C90 C89 U4 74.1(5) . . ?
C88 C89 U4 75.4(5) . . ?
C95 C89 U4 125.4(6) . . ?
C91 C90 C89 108.8(9) . . ?
C91 C90 C96B 126.3(11) . . ?
C89 C90 C96B 124.7(11) . . ?
C91 C90 U4 74.6(5) . . ?
C89 C90 U4 76.7(5) . . ?
C96B C90 U4 119.2(14) . . ?
C90 C91 C92 107.0(8) . . ?
C90 C91 C97A 104(4) . . ?
C92 C91 C97A 149(4) . . ?
C90 C91 C97B 130.8(17) . . ?
C92 C91 C97B 121.0(17) . . ?
C97A C91 C97B 28(3) . . ?
C90 C91 U4 76.1(5) . . ?
C92 C91 U4 75.0(5) . . ?
C97A C91 U4 115(3) . . ?
C97B C91 U4 123.8(8) . . ?
C88 C92 C91 108.2(9) . . ?
C88 C92 C93 123.7(10) . . ?
C91 C92 C93 127.5(9) . . ?
C88 C92 U4 77.4(5) . . ?
C91 C92 U4 74.8(5) . . ?
C93 C92 U4 120.9(7) . . ?
C92 C93 H93A 109.5 . . ?
C92 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C92 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C88 C94 H94A 109.5 . . ?
C88 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C88 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C89 C95 H95A 109.5 . . ?
C89 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C89 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
H96A C96A H96B 109.5 . . ?
H96A C96A H96C 109.5 . . ?
H96B C96A H96C 109.5 . . ?
C90 C96B H96D 109.5 . . ?
C90 C96B H96E 109.5 . . ?
H96D C96B H96E 109.5 . . ?
C90 C96B H96F 109.5 . . ?
H96D C96B H96F 109.5 . . ?
H96E C96B H96F 109.5 . . ?
C91 C97A H97A 109.5 . . ?
C91 C97A H97B 109.5 . . ?
H97A C97A H97B 109.5 . . ?
C91 C97A H97C 109.5 . . ?
H97A C97A H97C 109.5 . . ?
H97B C97A H97C 109.5 . . ?
C91 C97B H97D 109.5 . . ?
C91 C97B H97E 109.5 . . ?
H97D C97B H97E 109.5 . . ?
C91 C97B H97F 109.5 . . ?
H97D C97B H97F 109.5 . . ?
H97E C97B H97F 109.5 . . ?
U1 O1 U2 159.6(3) . . ?
U3 O2 U4 161.2(2) . . ?
C25 Si1 C33B 110.3(17) . . ?
C25 Si1 C35 112.7(4) . . ?
C33B Si1 C35 127.2(19) . . ?
C25 Si1 C33A 113.8(6) . . ?
C33B Si1 C33A 29.3(17) . . ?
C35 Si1 C33A 103.2(10) . . ?
C25 Si1 C34 104.1(5) . . ?
C33B Si1 C34 87(2) . . ?
C35 Si1 C34 110.3(6) . . ?
C33A Si1 C34 112.9(10) . . ?
C36 Si2 C28 111.0(4) . . ?
C36 Si2 C38 108.6(5) . . ?
C28 Si2 C38 104.0(4) . . ?
C36 Si2 C37 111.1(5) . . ?
C28 Si2 C37 114.5(4) . . ?
C38 Si2 C37 107.2(5) . . ?
C9 Si3 C1 112.5(4) . . ?
C9 Si3 C11 110.6(4) . . ?
C1 Si3 C11 112.7(4) . . ?
C9 Si3 C10 105.3(4) . . ?
C1 Si3 C10 108.7(4) . . ?
C11 Si3 C10 106.6(4) . . ?
C14B Si4 C13 100.2(7) . . ?
C14B Si4 C12 114.3(7) . . ?
C13 Si4 C12 107.2(5) . . ?
C14B Si4 C4 113.7(7) . . ?
C13 Si4 C4 113.5(4) . . ?
C12 Si4 C4 107.9(4) . . ?
C14B Si4 C14A 18.4(7) . . ?
C13 Si4 C14A 116.1(7) . . ?
C12 Si4 C14A 99.2(7) . . ?
C4 Si4 C14A 111.7(6) . . ?
C86A Si5 C87B 97.1(10) . . ?
C86A Si5 C85B 115.8(10) . . ?
C87B Si5 C85B 113.6(10) . . ?
C86A Si5 C86B 20.5(11) . . ?
C87B Si5 C86B 113.0(9) . . ?
C85B Si5 C86B 96.6(9) . . ?
C86A Si5 C80 112.5(8) . . ?
C87B Si5 C80 112.2(5) . . ?
C85B Si5 C80 105.9(5) . . ?
C86B Si5 C80 114.5(8) . . ?
C86A Si5 C87A 120(2) . . ?
C87B Si5 C87A 27.8(18) . . ?
C85B Si5 C87A 88(2) . . ?
C86B Si5 C87A 130.5(19) . . ?
C80 Si5 C87A 111.2(15) . . ?
C86A Si5 C85A 128(2) . . ?
C87B Si5 C85A 94(2) . . ?
C85B Si5 C85A 20.5(17) . . ?
C86B Si5 C85A 112(2) . . ?
C80 Si5 C85A 109.1(17) . . ?
C87A Si5 C85A 68(3) . . ?
C83 Si6 C84 108.7(5) . . ?
C83 Si6 C82 110.1(5) . . ?
C84 Si6 C82 105.8(5) . . ?
C83 Si6 C75 111.7(4) . . ?
C84 Si6 C75 115.9(4) . . ?
C82 Si6 C75 104.3(4) . . ?
C59 Si7 C58 110.8(5) . . ?
C59 Si7 C57 106.4(5) . . ?
C58 Si7 C57 106.0(4) . . ?
C59 Si7 C49 111.0(4) . . ?
C58 Si7 C49 113.7(4) . . ?
C57 Si7 C49 108.5(4) . . ?
C61 Si8 C60 107.0(4) . . ?
C61 Si8 C62 106.8(5) . . ?
C60 Si8 C62 110.8(4) . . ?
C61 Si8 C54 107.7(4) . . ?
C60 Si8 C54 111.8(3) . . ?
C62 Si8 C54 112.4(4) . . ?
O1 U1 C29 100.3(2) . . ?
O1 U1 C32 97.4(2) . . ?
C29 U1 C32 78.8(3) . . ?
O1 U1 C30 82.2(2) . . ?
C29 U1 C30 30.4(2) . . ?
C32 U1 C30 57.2(3) . . ?
O1 U1 C31 80.9(2) . . ?
C29 U1 C31 58.1(3) . . ?
C32 U1 C31 29.8(3) . . ?
C30 U1 C31 30.1(3) . . ?
O1 U1 C45 87.3(2) . . ?
C29 U1 C45 117.6(3) . . ?
C32 U1 C45 162.0(3) . . ?
C30 U1 C45 140.8(3) . . ?
C31 U1 C45 166.1(3) . . ?
O1 U1 C26 154.5(2) . . ?
C29 U1 C26 76.5(2) . . ?
C32 U1 C26 57.1(2) . . ?
C30 U1 C26 83.3(3) . . ?
C31 U1 C26 76.0(3) . . ?
C45 U1 C26 116.9(3) . . ?
O1 U1 C27 156.7(2) . . ?
C29 U1 C27 56.4(2) . . ?
C32 U1 C27 78.2(2) . . ?
C30 U1 C27 76.1(2) . . ?
C31 U1 C27 84.6(3) . . ?
C45 U1 C27 104.0(3) . . ?
C26 U1 C27 30.1(2) . . ?
O1 U1 C28 127.7(2) . . ?
C29 U1 C28 29.9(2) . . ?
C32 U1 C28 88.1(2) . . ?
C30 U1 C28 57.6(3) . . ?
C31 U1 C28 79.0(3) . . ?
C45 U1 C28 102.8(3) . . ?
C26 U1 C28 58.0(2) . . ?
C27 U1 C28 30.4(2) . . ?
O1 U1 C25 126.0(2) . . ?
C29 U1 C25 86.3(2) . . ?
C32 U1 C25 31.0(2) . . ?
C30 U1 C25 77.6(3) . . ?
C31 U1 C25 57.5(3) . . ?
C45 U1 C25 136.4(3) . . ?
C26 U1 C25 29.4(2) . . ?
C27 U1 C25 57.4(2) . . ?
C28 U1 C25 79.6(2) . . ?
O1 U1 C44 74.5(2) . . ?
C29 U1 C44 145.3(3) . . ?
C32 U1 C44 135.6(3) . . ?
C30 U1 C44 154.4(3) . . ?
C31 U1 C44 148.6(3) . . ?
C45 U1 C44 29.7(3) . . ?
C26 U1 C44 122.3(3) . . ?
C27 U1 C44 124.5(3) . . ?
C28 U1 C44 131.8(3) . . ?
C25 U1 C44 125.1(3) . . ?
O1 U1 C48 96.5(2) . . ?
C29 U1 C48 157.7(3) . . ?
C32 U1 C48 113.4(3) . . ?
C30 U1 C48 170.1(3) . . ?
C31 U1 C48 139.9(3) . . ?
C45 U1 C48 48.6(3) . . ?
C26 U1 C48 94.3(3) . . ?
C27 U1 C48 106.3(3) . . ?
C28 U1 C48 128.7(3) . . ?
C25 U1 C48 95.5(3) . . ?
C44 U1 C48 30.0(3) . . ?
O1 U2 C8 104.5(2) . . ?
O1 U2 C5 93.6(2) . . ?
C8 U2 C5 78.5(2) . . ?
O1 U2 C3 150.5(2) . . ?
C8 U2 C3 78.2(2) . . ?
C5 U2 C3 57.7(2) . . ?
O1 U2 C4 119.9(2) . . ?
C8 U2 C4 87.9(2) . . ?
C5 U2 C4 30.8(2) . . ?
C3 U2 C4 30.7(2) . . ?
O1 U2 C7 84.6(2) . . ?
C8 U2 C7 29.8(2) . . ?
C5 U2 C7 57.3(2) . . ?
C3 U2 C7 84.6(2) . . ?
C4 U2 C7 78.6(2) . . ?
O1 U2 C6 80.6(2) . . ?
C8 U2 C6 56.8(2) . . ?
C5 U2 C6 30.0(2) . . ?
C3 U2 C6 76.6(2) . . ?
C4 U2 C6 57.8(2) . . ?
C7 U2 C6 29.5(2) . . ?
O1 U2 C2 160.47(19) . . ?
C8 U2 C2 56.9(2) . . ?
C5 U2 C2 77.5(2) . . ?
C3 U2 C2 30.2(2) . . ?
C4 U2 C2 58.3(2) . . ?
C7 U2 C2 75.9(2) . . ?
C6 U2 C2 83.3(2) . . ?
O1 U2 C1 134.2(2) . . ?
C8 U2 C1 30.83(19) . . ?
C5 U2 C1 86.7(2) . . ?
C3 U2 C1 57.5(2) . . ?
C4 U2 C1 79.8(2) . . ?
C7 U2 C1 57.4(2) . . ?
C6 U2 C1 77.3(2) . . ?
C2 U2 C1 29.5(2) . . ?
O1 U2 C23 89.7(2) . . ?
C8 U2 C23 113.5(2) . . ?
C5 U2 C23 166.3(2) . . ?
C3 U2 C23 116.6(2) . . ?
C4 U2 C23 138.7(2) . . ?
C7 U2 C23 136.4(2) . . ?
C6 U2 C23 163.2(2) . . ?
C2 U2 C23 103.0(2) . . ?
C1 U2 C23 100.5(2) . . ?
O1 U2 C21 92.0(2) . . ?
C8 U2 C21 156.5(2) . . ?
C5 U2 C21 117.5(2) . . ?
C3 U2 C21 95.7(2) . . ?
C4 U2 C21 98.3(2) . . ?
C7 U2 C21 173.5(2) . . ?
C6 U2 C21 144.3(2) . . ?
C2 U2 C21 107.5(2) . . ?
C1 U2 C21 128.0(2) . . ?
C23 U2 C21 49.0(2) . . ?
O1 U2 C22 73.6(2) . . ?
C8 U2 C22 141.0(2) . . ?
C5 U2 C22 140.0(2) . . ?
C3 U2 C22 122.9(2) . . ?
C4 U2 C22 127.7(2) . . ?
C7 U2 C22 151.8(2) . . ?
C6 U2 C22 151.8(2) . . ?
C2 U2 C22 124.1(2) . . ?
C1 U2 C22 129.5(2) . . ?
C23 U2 C22 29.7(2) . . ?
C21 U2 C22 29.8(2) . . ?
O2 U3 C50 100.41(19) . . ?
O2 U3 C53 97.5(2) . . ?
C50 U3 C53 78.4(2) . . ?
O2 U3 C54 125.0(2) . . ?
C50 U3 C54 86.7(2) . . ?
C53 U3 C54 30.2(2) . . ?
O2 U3 C52 81.4(2) . . ?
C50 U3 C52 56.8(2) . . ?
C53 U3 C52 30.3(2) . . ?
C54 U3 C52 57.3(2) . . ?
O2 U3 C55 154.3(2) . . ?
C50 U3 C55 77.1(2) . . ?
C53 U3 C55 56.9(2) . . ?
C54 U3 C55 30.2(2) . . ?
C52 U3 C55 75.9(2) . . ?
O2 U3 C51 82.56(19) . . ?
C50 U3 C51 29.9(2) . . ?
C53 U3 C51 57.3(2) . . ?
C54 U3 C51 77.6(2) . . ?
C52 U3 C51 29.4(2) . . ?
C55 U3 C51 83.5(2) . . ?
O2 U3 C49 129.2(2) . . ?
C50 U3 C49 30.8(2) . . ?
C53 U3 C49 86.8(2) . . ?
C54 U3 C49 79.1(2) . . ?
C52 U3 C49 77.6(2) . . ?
C55 U3 C49 57.0(2) . . ?
C51 U3 C49 57.6(2) . . ?
O2 U3 C56 157.2(2) . . ?
C50 U3 C56 56.9(2) . . ?
C53 U3 C56 77.3(2) . . ?
C54 U3 C56 57.6(2) . . ?
C52 U3 C56 83.6(2) . . ?
C55 U3 C56 29.7(2) . . ?
C51 U3 C56 75.9(2) . . ?
C49 U3 C56 29.6(2) . . ?
O2 U3 C71 90.18(19) . . ?
C50 U3 C71 114.0(2) . . ?
C53 U3 C71 164.1(2) . . ?
C54 U3 C71 136.4(2) . . ?
C52 U3 C71 165.6(2) . . ?
C55 U3 C71 114.4(2) . . ?
C51 U3 C71 138.1(2) . . ?
C49 U3 C71 99.2(2) . . ?
C56 U3 C71 100.7(2) . . ?
O2 U3 C70 119.0(2) . . ?
C50 U3 C70 111.6(2) . . ?
C53 U3 C70 138.0(2) . . ?
C54 U3 C70 107.9(2) . . ?
C52 U3 C70 159.2(2) . . ?
C55 U3 C70 84.8(2) . . ?
C51 U3 C70 141.4(2) . . ?
C49 U3 C70 85.4(2) . . ?
C56 U3 C70 75.8(2) . . ?
C71 U3 C70 29.7(2) . . ?
O2 U3 C72 73.66(19) . . ?
C50 U3 C72 139.8(2) . . ?
C53 U3 C72 141.3(2) . . ?
C54 U3 C72 130.0(2) . . ?
C52 U3 C72 152.0(2) . . ?
C55 U3 C72 124.6(2) . . ?
C51 U3 C72 150.9(2) . . ?
C49 U3 C72 128.4(2) . . ?
C56 U3 C72 124.0(2) . . ?
C71 U3 C72 29.3(2) . . ?
C70 U3 C72 48.3(2) . . ?
O2 U4 C79 95.5(2) . . ?
O2 U4 C76 102.1(2) . . ?
C79 U4 C76 78.4(2) . . ?
O2 U4 C78 80.2(2) . . ?
C79 U4 C78 30.2(2) . . ?
C76 U4 C78 57.2(2) . . ?
O2 U4 C77 83.1(2) . . ?
C79 U4 C77 57.4(2) . . ?
C76 U4 C77 29.8(2) . . ?
C78 U4 C77 29.9(2) . . ?
O2 U4 C73 152.8(2) . . ?
C79 U4 C73 57.5(2) . . ?
C76 U4 C73 77.2(2) . . ?
C78 U4 C73 76.7(2) . . ?
C77 U4 C73 84.0(2) . . ?
O2 U4 C80 123.1(2) . . ?
C79 U4 C80 30.8(2) . . ?
C76 U4 C80 86.9(2) . . ?
C78 U4 C80 57.9(2) . . ?
C77 U4 C80 78.1(2) . . ?
C73 U4 C80 30.2(2) . . ?
O2 U4 C75 130.8(2) . . ?
C79 U4 C75 87.3(2) . . ?
C76 U4 C75 30.6(2) . . ?
C78 U4 C75 78.3(2) . . ?
C77 U4 C75 57.5(2) . . ?
C73 U4 C75 57.5(2) . . ?
C80 U4 C75 79.5(2) . . ?
O2 U4 C91 73.2(2) . . ?
C79 U4 C91 135.8(3) . . ?
C76 U4 C91 145.2(3) . . ?
C78 U4 C91 148.2(2) . . ?
C77 U4 C91 153.4(3) . . ?
C73 U4 C91 122.6(3) . . ?
C80 U4 C91 125.2(3) . . ?
C75 U4 C91 132.7(3) . . ?
O2 U4 C92 94.8(2) . . ?
C79 U4 C92 114.1(3) . . ?
C76 U4 C92 158.1(3) . . ?
C78 U4 C92 140.9(3) . . ?
C77 U4 C92 170.8(3) . . ?
C73 U4 C92 94.2(3) . . ?
C80 U4 C92 95.7(3) . . ?
C75 U4 C92 128.6(3) . . ?
C91 U4 C92 30.2(3) . . ?
O2 U4 C74 158.8(2) . . ?
C79 U4 C74 77.6(2) . . ?
C76 U4 C74 57.0(2) . . ?
C78 U4 C74 84.3(2) . . ?
C77 U4 C74 76.2(2) . . ?
C73 U4 C74 29.5(2) . . ?
C80 U4 C74 57.4(2) . . ?
C75 U4 C74 30.2(2) . . ?
C91 U4 C74 125.5(3) . . ?
C92 U4 C74 106.4(3) . . ?
O2 U4 C90 86.6(2) . . ?
C79 U4 C90 162.8(3) . . ?
C76 U4 C90 117.9(3) . . ?
C78 U4 C90 164.1(2) . . ?
C77 U4 C90 139.7(3) . . ?
C73 U4 C90 118.1(2) . . ?
C80 U4 C90 137.9(3) . . ?
C75 U4 C90 104.2(3) . . ?
C91 U4 C90 29.3(3) . . ?
C92 U4 C90 48.7(3) . . ?
C74 U4 C90 106.0(3) . . ?
Si6 C84 H84A 109.5 . . ?
Si6 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
Si6 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
Si4 C13 H13A 109.5 . . ?
Si4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?

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
C8 C1 C2 C3 4.5(14) . . . . ?
Si3 C1 C2 C3 176.3(7) . . . . ?
U2 C1 C2 C3 -43.5(8) . . . . ?
C8 C1 C2 U2 48.0(7) . . . . ?
Si3 C1 C2 U2 -140.2(5) . . . . ?
C1 C2 C3 C4 -5.3(15) . . . . ?
U2 C2 C3 C4 -49.6(8) . . . . ?
C1 C2 C3 U2 44.3(8) . . . . ?
C2 C3 C4 C5 -2.2(14) . . . . ?
U2 C3 C4 C5 -52.5(7) . . . . ?
C2 C3 C4 Si4 -171.9(7) . . . . ?
U2 C3 C4 Si4 137.9(5) . . . . ?
C2 C3 C4 U2 50.3(8) . . . . ?
C3 C4 C5 C6 0.9(14) . . . . ?
Si4 C4 C5 C6 171.0(7) . . . . ?
U2 C4 C5 C6 -51.7(8) . . . . ?
C3 C4 C5 U2 52.6(7) . . . . ?
Si4 C4 C5 U2 -137.3(4) . . . . ?
C4 C5 C6 C7 6.1(15) . . . . ?
U2 C5 C6 C7 -45.1(9) . . . . ?
C4 C5 C6 U2 51.2(8) . . . . ?
C5 C6 C7 C8 -2.0(15) . . . . ?
U2 C6 C7 C8 -46.7(8) . . . . ?
C5 C6 C7 U2 44.7(9) . . . . ?
C6 C7 C8 C1 -9.1(15) . . . . ?
U2 C7 C8 C1 -56.5(8) . . . . ?
C6 C7 C8 U2 47.5(9) . . . . ?
C2 C1 C8 C7 6.9(14) . . . . ?
Si3 C1 C8 C7 -165.5(7) . . . . ?
U2 C1 C8 C7 56.2(8) . . . . ?
C2 C1 C8 U2 -49.3(7) . . . . ?
Si3 C1 C8 U2 138.3(4) . . . . ?
C24 C20 C21 C22 1.0(8) . . . . ?
C15 C20 C21 C22 -169.4(7) . . . . ?
U2 C20 C21 C22 69.4(5) . . . . ?
C24 C20 C21 C16 167.3(7) . . . . ?
C15 C20 C21 C16 -3.0(13) . . . . ?
U2 C20 C21 C16 -124.2(8) . . . . ?
C24 C20 C21 U2 -68.4(5) . . . . ?
C15 C20 C21 U2 121.2(7) . . . . ?
C20 C21 C22 C23 -1.9(8) . . . . ?
C16 C21 C22 C23 -168.0(7) . . . . ?
U2 C21 C22 C23 68.3(5) . . . . ?
C20 C21 C22 C17 171.5(7) . . . . ?
C16 C21 C22 C17 5.5(13) . . . . ?
U2 C21 C22 C17 -118.3(8) . . . . ?
C20 C21 C22 U2 -70.2(5) . . . . ?
C16 C21 C22 U2 123.7(8) . . . . ?
C21 C22 C23 C24 2.2(8) . . . . ?
C17 C22 C23 C24 -171.5(7) . . . . ?
U2 C22 C23 C24 70.7(5) . . . . ?
C21 C22 C23 C18 172.5(7) . . . . ?
C17 C22 C23 C18 -1.2(11) . . . . ?
U2 C22 C23 C18 -119.0(7) . . . . ?
C21 C22 C23 U2 -68.5(5) . . . . ?
C17 C22 C23 U2 117.8(7) . . . . ?
C21 C20 C24 C23 0.4(8) . . . . ?
C15 C20 C24 C23 171.0(7) . . . . ?
U2 C20 C24 C23 -67.0(5) . . . . ?
C21 C20 C24 C19 -169.7(7) . . . . ?
C15 C20 C24 C19 1.0(11) . . . . ?
U2 C20 C24 C19 123.0(7) . . . . ?
C21 C20 C24 U2 67.4(5) . . . . ?
C15 C20 C24 U2 -122.0(7) . . . . ?
C22 C23 C24 C20 -1.6(8) . . . . ?
C18 C23 C24 C20 -171.8(7) . . . . ?
U2 C23 C24 C20 68.0(5) . . . . ?
C22 C23 C24 C19 168.2(7) . . . . ?
C18 C23 C24 C19 -2.0(12) . . . . ?
U2 C23 C24 C19 -122.2(7) . . . . ?
C22 C23 C24 U2 -69.6(5) . . . . ?
C18 C23 C24 U2 120.2(7) . . . . ?
C32 C25 C26 C27 -2.1(17) . . . . ?
Si1 C25 C26 C27 -170.2(9) . . . . ?
U1 C25 C26 C27 46.4(11) . . . . ?
C32 C25 C26 U1 -48.4(9) . . . . ?
Si1 C25 C26 U1 143.4(5) . . . . ?
C25 C26 C27 C28 0.4(19) . . . . ?
U1 C26 C27 C28 47.1(10) . . . . ?
C25 C26 C27 U1 -46.6(11) . . . . ?
C26 C27 C28 C29 4.9(16) . . . . ?
U1 C27 C28 C29 52.0(8) . . . . ?
C26 C27 C28 Si2 169.3(8) . . . . ?
U1 C27 C28 Si2 -143.7(6) . . . . ?
C26 C27 C28 U1 -47.1(10) . . . . ?
C27 C28 C29 C30 -2.1(17) . . . . ?
Si2 C28 C29 C30 -167.3(9) . . . . ?
U1 C28 C29 C30 50.6(10) . . . . ?
C27 C28 C29 U1 -52.7(8) . . . . ?
Si2 C28 C29 U1 142.1(5) . . . . ?
C28 C29 C30 C31 -3.2(19) . . . . ?
U1 C29 C30 C31 48.1(10) . . . . ?
C28 C29 C30 U1 -51.3(10) . . . . ?
C29 C30 C31 C32 -1.0(18) . . . . ?
U1 C30 C31 C32 46.7(10) . . . . ?
C29 C30 C31 U1 -47.6(10) . . . . ?
C30 C31 C32 C25 8.4(18) . . . . ?
U1 C31 C32 C25 55.1(10) . . . . ?
C30 C31 C32 U1 -46.7(10) . . . . ?
C26 C25 C32 C31 -5.5(17) . . . . ?
Si1 C25 C32 C31 163.1(9) . . . . ?
U1 C25 C32 C31 -54.8(10) . . . . ?
C26 C25 C32 U1 49.4(9) . . . . ?
Si1 C25 C32 U1 -142.0(4) . . . . ?
C48 C44 C45 C46 2.2(10) . . . . ?
C39 C44 C45 C46 -169.4(9) . . . . ?
U1 C44 C45 C46 71.5(7) . . . . ?
C48 C44 C45 C40 172.2(9) . . . . ?
C39 C44 C45 C40 0.6(15) . . . . ?
U1 C44 C45 C40 -118.5(9) . . . . ?
C48 C44 C45 U1 -69.2(6) . . . . ?
C39 C44 C45 U1 119.1(10) . . . . ?
C44 C45 C46 C47 -1.0(11) . . . . ?
C40 C45 C46 C47 -171.1(9) . . . . ?
U1 C45 C46 C47 69.3(7) . . . . ?
C44 C45 C46 C41 167.1(9) . . . . ?
C40 C45 C46 C41 -3.1(15) . . . . ?
U1 C45 C46 C41 -122.6(9) . . . . ?
C44 C45 C46 U1 -70.3(6) . . . . ?
C40 C45 C46 U1 119.5(9) . . . . ?
C45 C46 C47 C48 -0.7(11) . . . . ?
C41 C46 C47 C48 -168.9(9) . . . . ?
U1 C46 C47 C48 66.2(7) . . . . ?
C45 C46 C47 C42 168.6(9) . . . . ?
C41 C46 C47 C42 0.5(16) . . . . ?
U1 C46 C47 C42 -124.5(10) . . . . ?
C45 C46 C47 U1 -66.9(6) . . . . ?
C41 C46 C47 U1 125.0(9) . . . . ?
C46 C47 C48 C44 2.1(11) . . . . ?
C42 C47 C48 C44 -167.5(9) . . . . ?
U1 C47 C48 C44 69.1(6) . . . . ?
C46 C47 C48 C43 173.2(9) . . . . ?
C42 C47 C48 C43 3.6(15) . . . . ?
U1 C47 C48 C43 -119.8(10) . . . . ?
C46 C47 C48 U1 -67.0(7) . . . . ?
C42 C47 C48 U1 123.4(9) . . . . ?
C45 C44 C48 C47 -2.6(10) . . . . ?
C39 C44 C48 C47 169.3(9) . . . . ?
U1 C44 C48 C47 -70.9(6) . . . . ?
C45 C44 C48 C43 -173.2(9) . . . . ?
C39 C44 C48 C43 -1.3(16) . . . . ?
U1 C44 C48 C43 118.5(10) . . . . ?
C45 C44 C48 U1 68.3(6) . . . . ?
C39 C44 C48 U1 -119.8(9) . . . . ?
C56 C49 C50 C51 -3.5(14) . . . . ?
Si7 C49 C50 C51 166.4(7) . . . . ?
U3 C49 C50 C51 -54.7(8) . . . . ?
C56 C49 C50 U3 51.2(7) . . . . ?
Si7 C49 C50 U3 -138.9(4) . . . . ?
C49 C50 C51 C52 8.1(15) . . . . ?
U3 C50 C51 C52 -46.6(8) . . . . ?
C49 C50 C51 U3 54.8(8) . . . . ?
C50 C51 C52 C53 -0.1(16) . . . . ?
U3 C51 C52 C53 -46.2(9) . . . . ?
C50 C51 C52 U3 46.1(8) . . . . ?
C51 C52 C53 C54 -6.7(16) . . . . ?
U3 C52 C53 C54 -53.5(8) . . . . ?
C51 C52 C53 U3 46.8(9) . . . . ?
C52 C53 C54 C55 1.8(15) . . . . ?
U3 C53 C54 C55 -51.8(8) . . . . ?
C52 C53 C54 Si8 -169.9(7) . . . . ?
U3 C53 C54 Si8 136.6(4) . . . . ?
C52 C53 C54 U3 53.5(9) . . . . ?
C53 C54 C55 C56 3.2(15) . . . . ?
Si8 C54 C55 C56 174.5(7) . . . . ?
U3 C54 C55 C56 -48.0(9) . . . . ?
C53 C54 C55 U3 51.2(8) . . . . ?
Si8 C54 C55 U3 -137.5(5) . . . . ?
C54 C55 C56 C49 1.5(15) . . . . ?
U3 C55 C56 C49 -46.1(8) . . . . ?
C54 C55 C56 U3 47.6(9) . . . . ?
C50 C49 C56 C55 -4.3(14) . . . . ?
Si7 C49 C56 C55 -173.5(7) . . . . ?
U3 C49 C56 C55 45.7(8) . . . . ?
C50 C49 C56 U3 -50.0(7) . . . . ?
Si7 C49 C56 U3 140.8(5) . . . . ?
C72 C68 C69 C70 0.7(8) . . . . ?
C67 C68 C69 C70 -168.6(7) . . . . ?
U3 C68 C69 C70 68.5(5) . . . . ?
C72 C68 C69 C63 170.4(6) . . . . ?
C67 C68 C69 C63 1.1(11) . . . . ?
U3 C68 C69 C63 -121.8(7) . . . . ?
C72 C68 C69 U3 -67.9(5) . . . . ?
C67 C68 C69 U3 122.8(7) . . . . ?
C68 C69 C70 C71 -2.0(8) . . . . ?
C63 C69 C70 C71 -171.4(6) . . . . ?
U3 C69 C70 C71 67.5(5) . . . . ?
C68 C69 C70 C64 168.3(7) . . . . ?
C63 C69 C70 C64 -1.1(12) . . . . ?
U3 C69 C70 C64 -122.2(7) . . . . ?
C68 C69 C70 U3 -69.5(5) . . . . ?
C63 C69 C70 U3 121.1(7) . . . . ?
C69 C70 C71 C72 2.6(8) . . . . ?
C64 C70 C71 C72 -168.2(7) . . . . ?
U3 C70 C71 C72 71.7(5) . . . . ?
C69 C70 C71 C65 170.6(7) . . . . ?
C64 C70 C71 C65 -0.2(11) . . . . ?
U3 C70 C71 C65 -120.3(7) . . . . ?
C69 C70 C71 U3 -69.1(5) . . . . ?
C64 C70 C71 U3 120.1(7) . . . . ?
C70 C71 C72 C68 -2.2(8) . . . . ?
C65 C71 C72 C68 -170.4(6) . . . . ?
U3 C71 C72 C68 68.8(5) . . . . ?
C70 C71 C72 C66 169.8(7) . . . . ?
C65 C71 C72 C66 1.5(11) . . . . ?
U3 C71 C72 C66 -119.2(7) . . . . ?
C70 C71 C72 U3 -71.0(5) . . . . ?
C65 C71 C72 U3 120.7(7) . . . . ?
C69 C68 C72 C71 0.9(8) . . . . ?
C67 C68 C72 C71 169.6(7) . . . . ?
U3 C68 C72 C71 -67.1(5) . . . . ?
C69 C68 C72 C66 -171.1(7) . . . . ?
C67 C68 C72 C66 -2.5(12) . . . . ?
U3 C68 C72 C66 120.8(7) . . . . ?
C69 C68 C72 U3 68.0(5) . . . . ?
C67 C68 C72 U3 -123.3(7) . . . . ?
C80 C73 C74 C75 2.9(18) . . . . ?
U4 C73 C74 C75 -44.8(10) . . . . ?
C80 C73 C74 U4 47.7(10) . . . . ?
C73 C74 C75 C76 -6.6(16) . . . . ?
U4 C74 C75 C76 -51.3(8) . . . . ?
C73 C74 C75 Si6 -171.7(8) . . . . ?
U4 C74 C75 Si6 143.6(5) . . . . ?
C73 C74 C75 U4 44.7(10) . . . . ?
C74 C75 C76 C77 0.1(16) . . . . ?
Si6 C75 C76 C77 165.9(8) . . . . ?
U4 C75 C76 C77 -52.3(9) . . . . ?
C74 C75 C76 U4 52.4(8) . . . . ?
Si6 C75 C76 U4 -141.7(5) . . . . ?
C75 C76 C77 C78 6.2(17) . . . . ?
U4 C76 C77 C78 -46.5(9) . . . . ?
C75 C76 C77 U4 52.6(10) . . . . ?
C76 C77 C78 C79 -0.8(16) . . . . ?
U4 C77 C78 C79 -47.2(9) . . . . ?
C76 C77 C78 U4 46.4(9) . . . . ?
C77 C78 C79 C80 -6.8(16) . . . . ?
U4 C78 C79 C80 -54.6(9) . . . . ?
C77 C78 C79 U4 47.8(9) . . . . ?
C74 C73 C80 C79 1.1(16) . . . . ?
U4 C73 C80 C79 49.3(8) . . . . ?
C74 C73 C80 Si5 168.5(8) . . . . ?
U4 C73 C80 Si5 -143.4(5) . . . . ?
C74 C73 C80 U4 -48.1(10) . . . . ?
C78 C79 C80 C73 3.9(16) . . . . ?
U4 C79 C80 C73 -50.4(8) . . . . ?
C78 C79 C80 Si5 -163.7(8) . . . . ?
U4 C79 C80 Si5 142.0(5) . . . . ?
C78 C79 C80 U4 54.3(9) . . . . ?
C92 C88 C89 C90 0.6(11) . . . . ?
C94 C88 C89 C90 -169.2(8) . . . . ?
U4 C88 C89 C90 67.5(6) . . . . ?
C92 C88 C89 C95 169.9(9) . . . . ?
C94 C88 C89 C95 0.1(15) . . . . ?
U4 C88 C89 C95 -123.2(9) . . . . ?
C92 C88 C89 U4 -66.9(6) . . . . ?
C94 C88 C89 U4 123.3(9) . . . . ?
C88 C89 C90 C91 -0.1(11) . . . . ?
C95 C89 C90 C91 -169.2(9) . . . . ?
U4 C89 C90 C91 68.3(7) . . . . ?
C88 C89 C90 C96B 175.2(17) . . . . ?
C95 C89 C90 C96B 6(2) . . . . ?
U4 C89 C90 C96B -116.4(17) . . . . ?
C88 C89 C90 U4 -68.4(7) . . . . ?
C95 C89 C90 U4 122.5(9) . . . . ?
C89 C90 C91 C92 -0.5(11) . . . . ?
C96B C90 C91 C92 -175.7(17) . . . . ?
U4 C90 C91 C92 69.2(6) . . . . ?
C89 C90 C91 C97A 177(3) . . . . ?
C96B C90 C91 C97A 2(3) . . . . ?
U4 C90 C91 C97A -113(3) . . . . ?
C89 C90 C91 C97B 167.3(13) . . . . ?
C96B C90 C91 C97B -8(2) . . . . ?
U4 C90 C91 C97B -123.0(14) . . . . ?
C89 C90 C91 U4 -69.7(7) . . . . ?
C96B C90 C91 U4 115.1(17) . . . . ?
C89 C88 C92 C91 -1.0(10) . . . . ?
C94 C88 C92 C91 168.6(9) . . . . ?
U4 C88 C92 C91 -69.1(6) . . . . ?
C89 C88 C92 C93 -173.0(9) . . . . ?
C94 C88 C92 C93 -3.5(15) . . . . ?
U4 C88 C92 C93 118.9(9) . . . . ?
C89 C88 C92 U4 68.1(7) . . . . ?
C94 C88 C92 U4 -122.3(9) . . . . ?
C90 C91 C92 C88 0.9(10) . . . . ?
C97A C91 C92 C88 -175(5) . . . . ?
C97B C91 C92 C88 -168.3(11) . . . . ?
U4 C91 C92 C88 70.9(6) . . . . ?
C90 C91 C92 C93 172.5(9) . . . . ?
C97A C91 C92 C93 -3(6) . . . . ?
C97B C91 C92 C93 3.3(16) . . . . ?
U4 C91 C92 C93 -117.5(10) . . . . ?
C90 C91 C92 U4 -70.0(7) . . . . ?
C97A C91 C92 U4 114(5) . . . . ?
C97B C91 C92 U4 120.8(11) . . . . ?
C26 C25 Si1 C33B -163(3) . . . . ?
C32 C25 Si1 C33B 27(3) . . . . ?
U1 C25 Si1 C33B -62(3) . . . . ?
C26 C25 Si1 C35 -14.4(9) . . . . ?
C32 C25 Si1 C35 175.3(7) . . . . ?
U1 C25 Si1 C35 86.6(8) . . . . ?
C26 C25 Si1 C33A -131.5(12) . . . . ?
C32 C25 Si1 C33A 58.1(13) . . . . ?
U1 C25 Si1 C33A -30.6(13) . . . . ?
C26 C25 Si1 C34 105.2(8) . . . . ?
C32 C25 Si1 C34 -65.2(7) . . . . ?
U1 C25 Si1 C34 -153.9(7) . . . . ?
C29 C28 Si2 C36 -56.1(8) . . . . ?
C27 C28 Si2 C36 136.8(7) . . . . ?
U1 C28 Si2 C36 33.8(8) . . . . ?
C29 C28 Si2 C38 60.5(7) . . . . ?
C27 C28 Si2 C38 -106.6(7) . . . . ?
U1 C28 Si2 C38 150.4(7) . . . . ?
C29 C28 Si2 C37 177.1(6) . . . . ?
C27 C28 Si2 C37 10.1(8) . . . . ?
U1 C28 Si2 C37 -93.0(7) . . . . ?
C2 C1 Si3 C9 -0.6(7) . . . . ?
C8 C1 Si3 C9 172.7(5) . . . . ?
U2 C1 Si3 C9 -102.8(6) . . . . ?
C2 C1 Si3 C11 125.3(6) . . . . ?
C8 C1 Si3 C11 -61.4(6) . . . . ?
U2 C1 Si3 C11 23.1(6) . . . . ?
C2 C1 Si3 C10 -116.8(6) . . . . ?
C8 C1 Si3 C10 56.6(6) . . . . ?
U2 C1 Si3 C10 141.0(5) . . . . ?
C3 C4 Si4 C14B -124.9(8) . . . . ?
C5 C4 Si4 C14B 63.6(8) . . . . ?
U2 C4 Si4 C14B -26.8(8) . . . . ?
C3 C4 Si4 C13 -11.2(7) . . . . ?
C5 C4 Si4 C13 177.3(6) . . . . ?
U2 C4 Si4 C13 86.9(7) . . . . ?
C3 C4 Si4 C12 107.3(6) . . . . ?
C5 C4 Si4 C12 -64.2(6) . . . . ?
U2 C4 Si4 C12 -154.6(5) . . . . ?
C3 C4 Si4 C14A -144.7(7) . . . . ?
C5 C4 Si4 C14A 43.8(8) . . . . ?
U2 C4 Si4 C14A -46.6(8) . . . . ?
C73 C80 Si5 C86A 30.8(10) . . . . ?
C79 C80 Si5 C86A -159.8(9) . . . . ?
U4 C80 Si5 C86A -69.1(10) . . . . ?
C73 C80 Si5 C87B 139.0(9) . . . . ?
C79 C80 Si5 C87B -51.6(10) . . . . ?
U4 C80 Si5 C87B 39.1(11) . . . . ?
C73 C80 Si5 C85B -96.7(9) . . . . ?
C79 C80 Si5 C85B 72.8(9) . . . . ?
U4 C80 Si5 C85B 163.5(9) . . . . ?
C73 C80 Si5 C86B 8.5(11) . . . . ?
C79 C80 Si5 C86B 177.9(9) . . . . ?
U4 C80 Si5 C86B -91.4(10) . . . . ?
C73 C80 Si5 C87A 169(2) . . . . ?
C79 C80 Si5 C87A -22(2) . . . . ?
U4 C80 Si5 C87A 69(2) . . . . ?
C73 C80 Si5 C85A -118(2) . . . . ?
C79 C80 Si5 C85A 52(2) . . . . ?
U4 C80 Si5 C85A 142(2) . . . . ?
C76 C75 Si6 C83 51.8(7) . . . . ?
C74 C75 Si6 C83 -140.3(7) . . . . ?
U4 C75 Si6 C83 -36.9(8) . . . . ?
C76 C75 Si6 C84 177.0(6) . . . . ?
C74 C75 Si6 C84 -15.1(8) . . . . ?
U4 C75 Si6 C84 88.3(7) . . . . ?
C76 C75 Si6 C82 -67.1(7) . . . . ?
C74 C75 Si6 C82 100.8(7) . . . . ?
U4 C75 Si6 C82 -155.8(7) . . . . ?
C56 C49 Si7 C59 -134.9(6) . . . . ?
C50 C49 Si7 C59 53.8(6) . . . . ?
U3 C49 Si7 C59 -32.6(7) . . . . ?
C56 C49 Si7 C58 -9.1(7) . . . . ?
C50 C49 Si7 C58 179.6(5) . . . . ?
U3 C49 Si7 C58 93.2(7) . . . . ?
C56 C49 Si7 C57 108.5(6) . . . . ?
C50 C49 Si7 C57 -62.7(6) . . . . ?
U3 C49 Si7 C57 -149.2(6) . . . . ?
C53 C54 Si8 C61 52.6(6) . . . . ?
C55 C54 Si8 C61 -120.3(6) . . . . ?
U3 C54 Si8 C61 141.2(5) . . . . ?
C53 C54 Si8 C60 169.8(5) . . . . ?
C55 C54 Si8 C60 -3.1(7) . . . . ?
U3 C54 Si8 C60 -101.6(5) . . . . ?
C53 C54 Si8 C62 -64.8(6) . . . . ?
C55 C54 Si8 C62 122.3(6) . . . . ?
U3 C54 Si8 C62 23.8(6) . . . . ?
U2 O1 U1 C29 -1.9(8) . . . . ?
U2 O1 U1 C32 78.0(8) . . . . ?
U2 O1 U1 C30 22.7(8) . . . . ?
U2 O1 U1 C31 53.1(8) . . . . ?
U2 O1 U1 C45 -119.4(8) . . . . ?
U2 O1 U1 C26 78.5(9) . . . . ?
U2 O1 U1 C27 0.8(12) . . . . ?
U2 O1 U1 C28 -15.2(9) . . . . ?
U2 O1 U1 C25 91.0(8) . . . . ?
U2 O1 U1 C44 -146.6(9) . . . . ?
U2 O1 U1 C48 -167.2(8) . . . . ?
C28 C29 U1 O1 -158.5(5) . . . . ?
C30 C29 U1 O1 54.3(5) . . . . ?
C28 C29 U1 C32 106.0(5) . . . . ?
C30 C29 U1 C32 -41.2(5) . . . . ?
C28 C29 U1 C30 147.2(8) . . . . ?
C28 C29 U1 C31 129.2(6) . . . . ?
C30 C29 U1 C31 -18.0(5) . . . . ?
C28 C29 U1 C45 -66.1(5) . . . . ?
C30 C29 U1 C45 146.7(5) . . . . ?
C28 C29 U1 C26 47.5(5) . . . . ?
C30 C29 U1 C26 -99.7(5) . . . . ?
C28 C29 U1 C27 22.8(5) . . . . ?
C30 C29 U1 C27 -124.4(6) . . . . ?
C30 C29 U1 C28 -147.2(8) . . . . ?
C28 C29 U1 C25 75.6(5) . . . . ?
C30 C29 U1 C25 -71.6(5) . . . . ?
C28 C29 U1 C44 -80.8(6) . . . . ?
C30 C29 U1 C44 132.0(5) . . . . ?
C28 C29 U1 C48 -20.0(10) . . . . ?
C30 C29 U1 C48 -167.2(7) . . . . ?
C31 C32 U1 O1 -56.8(5) . . . . ?
C25 C32 U1 O1 159.3(4) . . . . ?
C31 C32 U1 C29 42.3(5) . . . . ?
C25 C32 U1 C29 -101.6(5) . . . . ?
C31 C32 U1 C30 19.0(5) . . . . ?
C25 C32 U1 C30 -125.0(5) . . . . ?
C25 C32 U1 C31 -144.0(8) . . . . ?
C31 C32 U1 C45 -161.0(7) . . . . ?
C25 C32 U1 C45 55.0(10) . . . . ?
C31 C32 U1 C26 123.5(6) . . . . ?
C25 C32 U1 C26 -20.5(4) . . . . ?
C31 C32 U1 C27 100.0(5) . . . . ?
C25 C32 U1 C27 -44.0(5) . . . . ?
C31 C32 U1 C28 71.0(5) . . . . ?
C25 C32 U1 C28 -73.0(5) . . . . ?
C31 C32 U1 C25 144.0(8) . . . . ?
C31 C32 U1 C44 -132.1(5) . . . . ?
C25 C32 U1 C44 83.9(5) . . . . ?
C31 C32 U1 C48 -157.2(5) . . . . ?
C25 C32 U1 C48 58.9(5) . . . . ?
C31 C30 U1 O1 85.3(5) . . . . ?
C29 C30 U1 O1 -126.2(5) . . . . ?
C31 C30 U1 C29 -148.5(8) . . . . ?
C31 C30 U1 C32 -18.7(5) . . . . ?
C29 C30 U1 C32 129.8(6) . . . . ?
C29 C30 U1 C31 148.5(8) . . . . ?
C31 C30 U1 C45 161.3(5) . . . . ?
C29 C30 U1 C45 -50.2(6) . . . . ?
C31 C30 U1 C26 -73.7(5) . . . . ?
C29 C30 U1 C26 74.8(5) . . . . ?
C31 C30 U1 C27 -103.5(5) . . . . ?
C29 C30 U1 C27 45.0(5) . . . . ?
C31 C30 U1 C28 -129.9(6) . . . . ?
C29 C30 U1 C28 18.6(4) . . . . ?
C31 C30 U1 C25 -44.4(5) . . . . ?
C29 C30 U1 C25 104.2(5) . . . . ?
C31 C30 U1 C44 109.8(7) . . . . ?
C29 C30 U1 C44 -101.7(7) . . . . ?
C31 C30 U1 C48 2.3(18) . . . . ?
C29 C30 U1 C48 150.8(14) . . . . ?
C32 C31 U1 O1 122.8(5) . . . . ?
C30 C31 U1 O1 -90.1(5) . . . . ?
C32 C31 U1 C29 -128.9(6) . . . . ?
C30 C31 U1 C29 18.2(4) . . . . ?
C30 C31 U1 C32 147.0(8) . . . . ?
C32 C31 U1 C30 -147.0(8) . . . . ?
C32 C31 U1 C45 155.3(11) . . . . ?
C30 C31 U1 C45 -57.6(13) . . . . ?
C32 C31 U1 C26 -46.2(5) . . . . ?
C30 C31 U1 C26 100.8(5) . . . . ?
C32 C31 U1 C27 -75.5(5) . . . . ?
C30 C31 U1 C27 71.5(5) . . . . ?
C32 C31 U1 C28 -105.7(5) . . . . ?
C30 C31 U1 C28 41.3(5) . . . . ?
C32 C31 U1 C25 -21.1(4) . . . . ?
C30 C31 U1 C25 126.0(5) . . . . ?
C32 C31 U1 C44 84.3(7) . . . . ?
C30 C31 U1 C44 -128.7(6) . . . . ?
C32 C31 U1 C48 33.6(7) . . . . ?
C30 C31 U1 C48 -179.4(5) . . . . ?
C46 C45 U1 O1 -177.8(6) . . . . ?
C44 C45 U1 O1 -62.7(5) . . . . ?
C40 C45 U1 O1 60.1(7) . . . . ?
C46 C45 U1 C29 82.0(6) . . . . ?
C44 C45 U1 C29 -162.9(5) . . . . ?
C40 C45 U1 C29 -40.2(8) . . . . ?
C46 C45 U1 C32 -72.0(10) . . . . ?
C44 C45 U1 C32 43.1(11) . . . . ?
C40 C45 U1 C32 165.9(8) . . . . ?
C46 C45 U1 C30 108.0(6) . . . . ?
C44 C45 U1 C30 -136.9(5) . . . . ?
C40 C45 U1 C30 -14.1(9) . . . . ?
C46 C45 U1 C31 150.2(11) . . . . ?
C44 C45 U1 C31 -94.8(13) . . . . ?
C40 C45 U1 C31 28.0(16) . . . . ?
C46 C45 U1 C26 -6.3(6) . . . . ?
C44 C45 U1 C26 108.8(5) . . . . ?
C40 C45 U1 C26 -128.5(7) . . . . ?
C46 C45 U1 C27 22.9(6) . . . . ?
C44 C45 U1 C27 138.0(5) . . . . ?
C40 C45 U1 C27 -99.3(7) . . . . ?
C46 C45 U1 C28 54.1(6) . . . . ?
C44 C45 U1 C28 169.2(5) . . . . ?
C40 C45 U1 C28 -68.0(8) . . . . ?
C46 C45 U1 C25 -34.3(7) . . . . ?
C44 C45 U1 C25 80.8(6) . . . . ?
C40 C45 U1 C25 -156.4(6) . . . . ?
C46 C45 U1 C44 -115.1(8) . . . . ?
C40 C45 U1 C44 122.8(10) . . . . ?
C46 C45 U1 C48 -76.7(6) . . . . ?
C44 C45 U1 C48 38.4(5) . . . . ?
C40 C45 U1 C48 161.2(9) . . . . ?
C25 C26 U1 O1 21.0(8) . . . . ?
C27 C26 U1 O1 -129.6(6) . . . . ?
C25 C26 U1 C29 106.8(5) . . . . ?
C27 C26 U1 C29 -43.8(5) . . . . ?
C25 C26 U1 C32 21.5(5) . . . . ?
C27 C26 U1 C32 -129.0(6) . . . . ?
C25 C26 U1 C30 76.6(5) . . . . ?
C27 C26 U1 C30 -73.9(5) . . . . ?
C25 C26 U1 C31 46.8(5) . . . . ?
C27 C26 U1 C31 -103.7(5) . . . . ?
C25 C26 U1 C45 -138.9(5) . . . . ?
C27 C26 U1 C45 70.6(6) . . . . ?
C25 C26 U1 C27 150.5(8) . . . . ?
C25 C26 U1 C28 132.4(6) . . . . ?
C27 C26 U1 C28 -18.1(5) . . . . ?
C27 C26 U1 C25 -150.5(8) . . . . ?
C25 C26 U1 C44 -105.2(5) . . . . ?
C27 C26 U1 C44 104.3(5) . . . . ?
C25 C26 U1 C48 -93.8(5) . . . . ?
C27 C26 U1 C48 115.7(5) . . . . ?
C26 C27 U1 O1 122.9(6) . . . . ?
C28 C27 U1 O1 -25.6(9) . . . . ?
C26 C27 U1 C29 126.1(6) . . . . ?
C28 C27 U1 C29 -22.5(5) . . . . ?
C26 C27 U1 C32 41.8(5) . . . . ?
C28 C27 U1 C32 -106.8(5) . . . . ?
C26 C27 U1 C30 100.6(5) . . . . ?
C28 C27 U1 C30 -48.0(5) . . . . ?
C26 C27 U1 C31 71.2(5) . . . . ?
C28 C27 U1 C31 -77.3(5) . . . . ?
C26 C27 U1 C45 -119.9(5) . . . . ?
C28 C27 U1 C45 91.6(5) . . . . ?
C28 C27 U1 C26 -148.6(8) . . . . ?
C26 C27 U1 C28 148.6(8) . . . . ?
C26 C27 U1 C25 16.7(5) . . . . ?
C28 C27 U1 C25 -131.9(6) . . . . ?
C26 C27 U1 C44 -96.1(6) . . . . ?
C28 C27 U1 C44 115.3(5) . . . . ?
C26 C27 U1 C48 -69.4(5) . . . . ?
C28 C27 U1 C48 142.0(5) . . . . ?
C29 C28 U1 O1 27.2(6) . . . . ?
C27 C28 U1 O1 167.5(4) . . . . ?
Si2 C28 U1 O1 -75.6(7) . . . . ?
C27 C28 U1 C29 140.3(8) . . . . ?
Si2 C28 U1 C29 -102.8(9) . . . . ?
C29 C28 U1 C32 -70.7(5) . . . . ?
C27 C28 U1 C32 69.7(5) . . . . ?
Si2 C28 U1 C32 -173.4(7) . . . . ?
C29 C28 U1 C30 -19.0(5) . . . . ?
C27 C28 U1 C30 121.4(6) . . . . ?
Si2 C28 U1 C30 -121.7(7) . . . . ?
C29 C28 U1 C31 -42.1(5) . . . . ?
C27 C28 U1 C31 98.3(5) . . . . ?
Si2 C28 U1 C31 -144.9(7) . . . . ?
C29 C28 U1 C45 123.8(5) . . . . ?
C27 C28 U1 C45 -95.9(5) . . . . ?
Si2 C28 U1 C45 21.0(7) . . . . ?
C29 C28 U1 C26 -122.4(6) . . . . ?
C27 C28 U1 C26 18.0(5) . . . . ?
Si2 C28 U1 C26 134.9(8) . . . . ?
C29 C28 U1 C27 -140.3(8) . . . . ?
Si2 C28 U1 C27 116.9(9) . . . . ?
C29 C28 U1 C25 -100.7(5) . . . . ?
C27 C28 U1 C25 39.6(5) . . . . ?
Si2 C28 U1 C25 156.5(7) . . . . ?
C29 C28 U1 C44 131.0(5) . . . . ?
C27 C28 U1 C44 -88.7(6) . . . . ?
Si2 C28 U1 C44 28.2(8) . . . . ?
C29 C28 U1 C48 170.5(5) . . . . ?
C27 C28 U1 C48 -49.2(6) . . . . ?
Si2 C28 U1 C48 67.7(8) . . . . ?
C26 C25 U1 O1 -169.0(4) . . . . ?
C32 C25 U1 O1 -25.7(6) . . . . ?
Si1 C25 U1 O1 76.3(7) . . . . ?
C26 C25 U1 C29 -68.9(5) . . . . ?
C32 C25 U1 C29 74.3(5) . . . . ?
Si1 C25 U1 C29 176.4(7) . . . . ?
C26 C25 U1 C32 -143.3(7) . . . . ?
Si1 C25 U1 C32 102.1(8) . . . . ?
C26 C25 U1 C30 -98.4(5) . . . . ?
C32 C25 U1 C30 44.9(5) . . . . ?
Si1 C25 U1 C30 146.9(7) . . . . ?
C26 C25 U1 C31 -123.0(6) . . . . ?
C32 C25 U1 C31 20.3(5) . . . . ?
Si1 C25 U1 C31 122.3(7) . . . . ?
C26 C25 U1 C45 58.3(6) . . . . ?
C32 C25 U1 C45 -158.5(5) . . . . ?
Si1 C25 U1 C45 -56.4(8) . . . . ?
C32 C25 U1 C26 143.3(7) . . . . ?
Si1 C25 U1 C26 -114.7(9) . . . . ?
C26 C25 U1 C27 -17.0(5) . . . . ?
C32 C25 U1 C27 126.2(6) . . . . ?
Si1 C25 U1 C27 -131.7(8) . . . . ?
C26 C25 U1 C28 -39.5(5) . . . . ?
C32 C25 U1 C28 103.7(5) . . . . ?
Si1 C25 U1 C28 -154.2(7) . . . . ?
C26 C25 U1 C44 94.9(5) . . . . ?
C32 C25 U1 C44 -121.8(5) . . . . ?
Si1 C25 U1 C44 -19.8(8) . . . . ?
C26 C25 U1 C48 88.8(5) . . . . ?
C32 C25 U1 C48 -127.9(5) . . . . ?
Si1 C25 U1 C48 -25.9(7) . . . . ?
C45 C44 U1 O1 112.9(5) . . . . ?
C48 C44 U1 O1 -135.6(6) . . . . ?
C39 C44 U1 O1 -12.6(8) . . . . ?
C45 C44 U1 C29 27.1(7) . . . . ?
C48 C44 U1 C29 138.7(5) . . . . ?
C39 C44 U1 C29 -98.4(9) . . . . ?
C45 C44 U1 C32 -162.4(5) . . . . ?
C48 C44 U1 C32 -50.9(6) . . . . ?
C39 C44 U1 C32 72.1(9) . . . . ?
C45 C44 U1 C30 87.6(8) . . . . ?
C48 C44 U1 C30 -160.8(6) . . . . ?
C39 C44 U1 C30 -37.9(12) . . . . ?
C45 C44 U1 C31 152.6(6) . . . . ?
C48 C44 U1 C31 -95.9(7) . . . . ?
C39 C44 U1 C31 27.1(11) . . . . ?
C48 C44 U1 C45 111.5(7) . . . . ?
C39 C44 U1 C45 -125.5(11) . . . . ?
C45 C44 U1 C26 -88.2(6) . . . . ?
C48 C44 U1 C26 23.3(6) . . . . ?
C39 C44 U1 C26 146.3(8) . . . . ?
C45 C44 U1 C27 -52.1(6) . . . . ?
C48 C44 U1 C27 59.5(6) . . . . ?
C39 C44 U1 C27 -177.5(8) . . . . ?
C45 C44 U1 C28 -14.2(7) . . . . ?
C48 C44 U1 C28 97.3(6) . . . . ?
C39 C44 U1 C28 -139.7(8) . . . . ?
C45 C44 U1 C25 -123.7(5) . . . . ?
C48 C44 U1 C25 -12.1(6) . . . . ?
C39 C44 U1 C25 110.8(8) . . . . ?
C45 C44 U1 C48 -111.5(7) . . . . ?
C39 C44 U1 C48 123.0(11) . . . . ?
C47 C48 U1 O1 155.2(6) . . . . ?
C44 C48 U1 O1 42.8(5) . . . . ?
C43 C48 U1 O1 -82.3(8) . . . . ?
C47 C48 U1 C29 16.2(11) . . . . ?
C44 C48 U1 C29 -96.2(8) . . . . ?
C43 C48 U1 C29 138.7(8) . . . . ?
C47 C48 U1 C32 -103.8(6) . . . . ?
C44 C48 U1 C32 143.7(5) . . . . ?
C43 C48 U1 C32 18.6(9) . . . . ?
C47 C48 U1 C30 -123.0(14) . . . . ?
C44 C48 U1 C30 124.5(14) . . . . ?
C43 C48 U1 C30 -1(2) . . . . ?
C47 C48 U1 C31 -121.2(6) . . . . ?
C44 C48 U1 C31 126.3(5) . . . . ?
C43 C48 U1 C31 1.2(10) . . . . ?
C47 C48 U1 C45 74.6(6) . . . . ?
C44 C48 U1 C45 -37.9(5) . . . . ?
C43 C48 U1 C45 -162.9(10) . . . . ?
C47 C48 U1 C26 -48.0(6) . . . . ?
C44 C48 U1 C26 -160.4(5) . . . . ?
C43 C48 U1 C26 74.5(8) . . . . ?
C47 C48 U1 C27 -19.9(6) . . . . ?
C44 C48 U1 C27 -132.3(5) . . . . ?
C43 C48 U1 C27 102.6(8) . . . . ?
C47 C48 U1 C28 3.6(7) . . . . ?
C44 C48 U1 C28 -108.8(5) . . . . ?
C43 C48 U1 C28 126.1(8) . . . . ?
C47 C48 U1 C25 -77.5(6) . . . . ?
C44 C48 U1 C25 170.0(5) . . . . ?
C43 C48 U1 C25 44.9(8) . . . . ?
C47 C48 U1 C44 112.4(8) . . . . ?
C43 C48 U1 C44 -125.1(10) . . . . ?
U1 O1 U2 C8 5.4(8) . . . . ?
U1 O1 U2 C5 84.5(8) . . . . ?
U1 O1 U2 C3 96.9(9) . . . . ?
U1 O1 U2 C4 101.4(8) . . . . ?
U1 O1 U2 C7 27.8(8) . . . . ?
U1 O1 U2 C6 57.3(8) . . . . ?
U1 O1 U2 C2 22.4(13) . . . . ?
U1 O1 U2 C1 -4.5(9) . . . . ?
U1 O1 U2 C23 -108.9(8) . . . . ?
U1 O1 U2 C21 -157.8(8) . . . . ?
U1 O1 U2 C22 -134.2(8) . . . . ?
C7 C8 U2 O1 49.8(5) . . . . ?
C1 C8 U2 O1 -166.2(4) . . . . ?
C7 C8 U2 C5 -41.0(4) . . . . ?
C1 C8 U2 C5 103.0(4) . . . . ?
C7 C8 U2 C3 -100.0(4) . . . . ?
C1 C8 U2 C3 44.0(4) . . . . ?
C7 C8 U2 C4 -70.6(4) . . . . ?
C1 C8 U2 C4 73.5(4) . . . . ?
C1 C8 U2 C7 144.1(7) . . . . ?
C7 C8 U2 C6 -18.4(4) . . . . ?
C1 C8 U2 C6 125.7(5) . . . . ?
C7 C8 U2 C2 -123.5(5) . . . . ?
C1 C8 U2 C2 20.5(4) . . . . ?
C7 C8 U2 C1 -144.1(7) . . . . ?
C7 C8 U2 C23 145.9(4) . . . . ?
C1 C8 U2 C23 -70.0(4) . . . . ?
C7 C8 U2 C21 -176.7(6) . . . . ?
C1 C8 U2 C21 -32.7(8) . . . . ?
C7 C8 U2 C22 131.5(4) . . . . ?
C1 C8 U2 C22 -84.4(5) . . . . ?
C6 C5 U2 O1 -64.1(4) . . . . ?
C4 C5 U2 O1 150.5(4) . . . . ?
C6 C5 U2 C8 40.0(4) . . . . ?
C4 C5 U2 C8 -105.4(5) . . . . ?
C6 C5 U2 C3 123.1(5) . . . . ?
C4 C5 U2 C3 -22.3(4) . . . . ?
C6 C5 U2 C4 145.4(7) . . . . ?
C6 C5 U2 C7 17.2(4) . . . . ?
C4 C5 U2 C7 -128.3(5) . . . . ?
C4 C5 U2 C6 -145.4(7) . . . . ?
C6 C5 U2 C2 98.3(4) . . . . ?
C4 C5 U2 C2 -47.1(4) . . . . ?
C6 C5 U2 C1 70.0(4) . . . . ?
C4 C5 U2 C1 -75.4(4) . . . . ?
C6 C5 U2 C23 -167.8(9) . . . . ?
C4 C5 U2 C23 46.8(12) . . . . ?
C6 C5 U2 C21 -158.3(4) . . . . ?
C4 C5 U2 C21 56.3(5) . . . . ?
C6 C5 U2 C22 -132.7(4) . . . . ?
C4 C5 U2 C22 81.9(5) . . . . ?
C2 C3 U2 O1 -140.2(4) . . . . ?
C4 C3 U2 O1 7.6(6) . . . . ?
C2 C3 U2 C8 -41.6(4) . . . . ?
C4 C3 U2 C8 106.2(4) . . . . ?
C2 C3 U2 C5 -125.4(4) . . . . ?
C4 C3 U2 C5 22.3(4) . . . . ?
C2 C3 U2 C4 -147.8(6) . . . . ?
C2 C3 U2 C7 -71.1(4) . . . . ?
C4 C3 U2 C7 76.7(4) . . . . ?
C2 C3 U2 C6 -99.9(4) . . . . ?
C4 C3 U2 C6 47.8(4) . . . . ?
C4 C3 U2 C2 147.8(6) . . . . ?
C2 C3 U2 C1 -16.6(4) . . . . ?
C4 C3 U2 C1 131.1(5) . . . . ?
C2 C3 U2 C23 68.9(4) . . . . ?
C4 C3 U2 C23 -143.3(4) . . . . ?
C2 C3 U2 C21 115.5(4) . . . . ?
C4 C3 U2 C21 -96.8(4) . . . . ?
C2 C3 U2 C22 102.5(4) . . . . ?
C4 C3 U2 C22 -109.7(4) . . . . ?
C3 C4 U2 O1 -175.7(4) . . . . ?
C5 C4 U2 O1 -34.6(5) . . . . ?
Si4 C4 U2 O1 69.9(6) . . . . ?
C3 C4 U2 C8 -70.2(4) . . . . ?
C5 C4 U2 C8 71.0(4) . . . . ?
Si4 C4 U2 C8 175.5(5) . . . . ?
C3 C4 U2 C5 -141.1(7) . . . . ?
Si4 C4 U2 C5 104.5(7) . . . . ?
C5 C4 U2 C3 141.1(7) . . . . ?
Si4 C4 U2 C3 -114.3(7) . . . . ?
C3 C4 U2 C7 -98.8(4) . . . . ?
C5 C4 U2 C7 42.4(4) . . . . ?
Si4 C4 U2 C7 146.9(6) . . . . ?
C3 C4 U2 C6 -121.5(5) . . . . ?
C5 C4 U2 C6 19.6(4) . . . . ?
Si4 C4 U2 C6 124.1(6) . . . . ?
C3 C4 U2 C2 -18.4(4) . . . . ?
C5 C4 U2 C2 122.8(5) . . . . ?
Si4 C4 U2 C2 -132.7(6) . . . . ?
C3 C4 U2 C1 -40.2(4) . . . . ?
C5 C4 U2 C1 100.9(4) . . . . ?
Si4 C4 U2 C1 -154.6(6) . . . . ?
C3 C4 U2 C23 54.1(6) . . . . ?
C5 C4 U2 C23 -164.8(4) . . . . ?
Si4 C4 U2 C23 -60.3(7) . . . . ?
C3 C4 U2 C21 87.1(4) . . . . ?
C5 C4 U2 C21 -131.8(5) . . . . ?
Si4 C4 U2 C21 -27.3(6) . . . . ?
C3 C4 U2 C22 92.4(5) . . . . ?
C5 C4 U2 C22 -126.4(4) . . . . ?
Si4 C4 U2 C22 -21.9(7) . . . . ?
C8 C7 U2 O1 -132.1(4) . . . . ?
C6 C7 U2 O1 80.3(4) . . . . ?
C6 C7 U2 C8 -147.6(7) . . . . ?
C8 C7 U2 C5 130.1(5) . . . . ?
C6 C7 U2 C5 -17.4(4) . . . . ?
C8 C7 U2 C3 75.5(4) . . . . ?
C6 C7 U2 C3 -72.1(4) . . . . ?
C8 C7 U2 C4 106.0(4) . . . . ?
C6 C7 U2 C4 -41.6(4) . . . . ?
C8 C7 U2 C6 147.6(7) . . . . ?
C8 C7 U2 C2 46.1(4) . . . . ?
C6 C7 U2 C2 -101.5(4) . . . . ?
C8 C7 U2 C1 20.9(4) . . . . ?
C6 C7 U2 C1 -126.7(5) . . . . ?
C8 C7 U2 C23 -48.2(6) . . . . ?
C6 C7 U2 C23 164.3(4) . . . . ?
C8 C7 U2 C21 168(2) . . . . ?
C6 C7 U2 C21 21(2) . . . . ?
C8 C7 U2 C22 -93.1(6) . . . . ?
C6 C7 U2 C22 119.4(6) . . . . ?
C7 C6 U2 O1 -95.8(4) . . . . ?
C5 C6 U2 O1 114.5(4) . . . . ?
C7 C6 U2 C8 18.6(4) . . . . ?
C5 C6 U2 C8 -131.1(5) . . . . ?
C7 C6 U2 C5 149.7(7) . . . . ?
C7 C6 U2 C3 103.1(4) . . . . ?
C5 C6 U2 C3 -46.7(4) . . . . ?
C7 C6 U2 C4 129.7(5) . . . . ?
C5 C6 U2 C4 -20.1(4) . . . . ?
C5 C6 U2 C7 -149.7(7) . . . . ?
C7 C6 U2 C2 73.1(4) . . . . ?
C5 C6 U2 C2 -76.6(4) . . . . ?
C7 C6 U2 C1 43.9(4) . . . . ?
C5 C6 U2 C1 -105.9(4) . . . . ?
C7 C6 U2 C23 -40.3(10) . . . . ?
C5 C6 U2 C23 170.0(7) . . . . ?
C7 C6 U2 C21 -176.0(5) . . . . ?
C5 C6 U2 C21 34.2(6) . . . . ?
C7 C6 U2 C22 -119.6(6) . . . . ?
C5 C6 U2 C22 90.7(6) . . . . ?
C1 C2 U2 O1 -41.2(9) . . . . ?
C3 C2 U2 O1 109.4(7) . . . . ?
C1 C2 U2 C8 -21.4(4) . . . . ?
C3 C2 U2 C8 129.1(5) . . . . ?
C1 C2 U2 C5 -105.8(4) . . . . ?
C3 C2 U2 C5 44.8(4) . . . . ?
C1 C2 U2 C3 -150.6(6) . . . . ?
C1 C2 U2 C4 -131.9(5) . . . . ?
C3 C2 U2 C4 18.7(4) . . . . ?
C1 C2 U2 C7 -46.8(4) . . . . ?
C3 C2 U2 C7 103.8(4) . . . . ?
C1 C2 U2 C6 -75.9(4) . . . . ?
C3 C2 U2 C6 74.7(4) . . . . ?
C3 C2 U2 C1 150.6(6) . . . . ?
C1 C2 U2 C23 88.3(4) . . . . ?
C3 C2 U2 C23 -121.1(4) . . . . ?
C1 C2 U2 C21 139.0(4) . . . . ?
C3 C2 U2 C21 -70.4(4) . . . . ?
C1 C2 U2 C22 111.4(4) . . . . ?
C3 C2 U2 C22 -98.0(4) . . . . ?
C2 C1 U2 O1 162.1(4) . . . . ?
C8 C1 U2 O1 18.8(5) . . . . ?
Si3 C1 U2 O1 -80.0(6) . . . . ?
C2 C1 U2 C8 143.3(6) . . . . ?
Si3 C1 U2 C8 -98.9(7) . . . . ?
C2 C1 U2 C5 70.3(4) . . . . ?
C8 C1 U2 C5 -73.0(4) . . . . ?
Si3 C1 U2 C5 -171.9(5) . . . . ?
C2 C1 U2 C3 17.0(4) . . . . ?
C8 C1 U2 C3 -126.2(5) . . . . ?
Si3 C1 U2 C3 134.9(6) . . . . ?
C2 C1 U2 C4 40.1(4) . . . . ?
C8 C1 U2 C4 -103.2(4) . . . . ?
Si3 C1 U2 C4 157.9(5) . . . . ?
C2 C1 U2 C7 123.0(5) . . . . ?
C8 C1 U2 C7 -20.3(4) . . . . ?
Si3 C1 U2 C7 -119.1(6) . . . . ?
C2 C1 U2 C6 99.1(4) . . . . ?
C8 C1 U2 C6 -44.2(4) . . . . ?
Si3 C1 U2 C6 -143.0(6) . . . . ?
C8 C1 U2 C2 -143.3(6) . . . . ?
Si3 C1 U2 C2 117.9(7) . . . . ?
C2 C1 U2 C23 -97.9(4) . . . . ?
C8 C1 U2 C23 118.8(4) . . . . ?
Si3 C1 U2 C23 19.9(6) . . . . ?
C2 C1 U2 C21 -52.6(5) . . . . ?
C8 C1 U2 C21 164.2(4) . . . . ?
Si3 C1 U2 C21 65.3(6) . . . . ?
C2 C1 U2 C22 -91.0(5) . . . . ?
C8 C1 U2 C22 125.8(4) . . . . ?
Si3 C1 U2 C22 26.9(7) . . . . ?
C22 C23 U2 O1 -55.8(5) . . . . ?
C24 C23 U2 O1 -169.3(5) . . . . ?
C18 C23 U2 O1 66.5(7) . . . . ?
C22 C23 U2 C8 -161.6(4) . . . . ?
C24 C23 U2 C8 84.9(5) . . . . ?
C18 C23 U2 C8 -39.3(7) . . . . ?
C22 C23 U2 C5 48.3(12) . . . . ?
C24 C23 U2 C5 -65.2(12) . . . . ?
C18 C23 U2 C5 170.6(8) . . . . ?
C22 C23 U2 C3 110.3(5) . . . . ?
C24 C23 U2 C3 -3.2(6) . . . . ?
C18 C23 U2 C3 -127.4(7) . . . . ?
C22 C23 U2 C4 82.7(6) . . . . ?
C24 C23 U2 C4 -30.8(7) . . . . ?
C18 C23 U2 C4 -155.0(6) . . . . ?
C22 C23 U2 C7 -137.7(4) . . . . ?
C24 C23 U2 C7 108.8(5) . . . . ?
C18 C23 U2 C7 -15.4(8) . . . . ?
C22 C23 U2 C6 -110.2(8) . . . . ?
C24 C23 U2 C6 136.3(8) . . . . ?
C18 C23 U2 C6 12.1(13) . . . . ?
C22 C23 U2 C2 139.1(4) . . . . ?
C24 C23 U2 C2 25.6(5) . . . . ?
C18 C23 U2 C2 -98.6(7) . . . . ?
C22 C23 U2 C1 169.1(4) . . . . ?
C24 C23 U2 C1 55.6(5) . . . . ?
C18 C23 U2 C1 -68.6(7) . . . . ?
C22 C23 U2 C21 37.1(4) . . . . ?
C24 C23 U2 C21 -76.4(5) . . . . ?
C18 C23 U2 C21 159.4(8) . . . . ?
C24 C23 U2 C22 -113.5(7) . . . . ?
C18 C23 U2 C22 122.3(9) . . . . ?
C20 C21 U2 O1 163.1(5) . . . . ?
C22 C21 U2 O1 50.8(5) . . . . ?
C16 C21 U2 O1 -73.7(8) . . . . ?
C20 C21 U2 C8 27.8(9) . . . . ?
C22 C21 U2 C8 -84.5(8) . . . . ?
C16 C21 U2 C8 150.9(7) . . . . ?
C20 C21 U2 C5 -101.7(5) . . . . ?
C22 C21 U2 C5 146.0(5) . . . . ?
C16 C21 U2 C5 21.4(9) . . . . ?
C20 C21 U2 C3 -45.4(5) . . . . ?
C22 C21 U2 C3 -157.7(5) . . . . ?
C16 C21 U2 C3 77.8(8) . . . . ?
C20 C21 U2 C4 -76.2(5) . . . . ?
C22 C21 U2 C4 171.4(5) . . . . ?
C16 C21 U2 C4 46.9(8) . . . . ?
C20 C21 U2 C7 -138(2) . . . . ?
C22 C21 U2 C7 110(2) . . . . ?
C16 C21 U2 C7 -15(3) . . . . ?
C20 C21 U2 C6 -120.2(5) . . . . ?
C22 C21 U2 C6 127.5(5) . . . . ?
C16 C21 U2 C6 2.9(10) . . . . ?
C20 C21 U2 C2 -16.9(5) . . . . ?
C22 C21 U2 C2 -129.3(5) . . . . ?
C16 C21 U2 C2 106.2(8) . . . . ?
C20 C21 U2 C1 7.2(6) . . . . ?
C22 C21 U2 C1 -105.1(5) . . . . ?
C16 C21 U2 C1 130.4(8) . . . . ?
C20 C21 U2 C23 75.3(5) . . . . ?
C22 C21 U2 C23 -37.0(4) . . . . ?
C16 C21 U2 C23 -161.5(10) . . . . ?
C20 C21 U2 C22 112.3(7) . . . . ?
C16 C21 U2 C22 -124.5(11) . . . . ?
C23 C22 U2 O1 120.4(5) . . . . ?
C21 C22 U2 O1 -126.1(5) . . . . ?
C17 C22 U2 O1 -1.0(7) . . . . ?
C23 C22 U2 C8 27.4(6) . . . . ?
C21 C22 U2 C8 140.9(5) . . . . ?
C17 C22 U2 C8 -94.0(8) . . . . ?
C23 C22 U2 C5 -164.0(4) . . . . ?
C21 C22 U2 C5 -50.5(6) . . . . ?
C17 C22 U2 C5 74.6(8) . . . . ?
C23 C22 U2 C3 -86.8(5) . . . . ?
C21 C22 U2 C3 26.7(6) . . . . ?
C17 C22 U2 C3 151.8(7) . . . . ?
C23 C22 U2 C4 -124.2(5) . . . . ?
C21 C22 U2 C4 -10.7(6) . . . . ?
C17 C22 U2 C4 114.4(7) . . . . ?
C23 C22 U2 C7 79.6(6) . . . . ?
C21 C22 U2 C7 -166.9(5) . . . . ?
C17 C22 U2 C7 -41.8(10) . . . . ?
C23 C22 U2 C6 144.9(5) . . . . ?
C21 C22 U2 C6 -101.6(6) . . . . ?
C17 C22 U2 C6 23.5(10) . . . . ?
C23 C22 U2 C2 -50.4(5) . . . . ?
C21 C22 U2 C2 63.1(6) . . . . ?
C17 C22 U2 C2 -171.8(7) . . . . ?
C23 C22 U2 C1 -14.0(6) . . . . ?
C21 C22 U2 C1 99.5(5) . . . . ?
C17 C22 U2 C1 -135.4(7) . . . . ?
C21 C22 U2 C23 113.5(7) . . . . ?
C17 C22 U2 C23 -121.4(10) . . . . ?
C23 C22 U2 C21 -113.5(7) . . . . ?
C17 C22 U2 C21 125.1(10) . . . . ?
U4 O2 U3 C50 -0.5(8) . . . . ?
U4 O2 U3 C53 -80.0(8) . . . . ?
U4 O2 U3 C54 -93.8(8) . . . . ?
U4 O2 U3 C52 -54.3(8) . . . . ?
U4 O2 U3 C55 -82.3(10) . . . . ?
U4 O2 U3 C51 -24.6(8) . . . . ?
U4 O2 U3 C49 11.9(9) . . . . ?
U4 O2 U3 C56 -5.2(12) . . . . ?
U4 O2 U3 C71 114.0(8) . . . . ?
U4 O2 U3 C70 121.5(8) . . . . ?
U4 O2 U3 C72 138.5(8) . . . . ?
C51 C50 U3 O2 -54.3(5) . . . . ?
C49 C50 U3 O2 161.0(4) . . . . ?
C51 C50 U3 C53 41.3(4) . . . . ?
C49 C50 U3 C53 -103.4(4) . . . . ?
C51 C50 U3 C54 70.6(4) . . . . ?
C49 C50 U3 C54 -74.1(4) . . . . ?
C51 C50 U3 C52 18.1(4) . . . . ?
C49 C50 U3 C52 -126.6(5) . . . . ?
C51 C50 U3 C55 99.6(5) . . . . ?
C49 C50 U3 C55 -45.1(4) . . . . ?
C49 C50 U3 C51 -144.7(7) . . . . ?
C51 C50 U3 C49 144.7(7) . . . . ?
C51 C50 U3 C56 123.5(5) . . . . ?
C49 C50 U3 C56 -21.2(4) . . . . ?
C51 C50 U3 C71 -149.2(4) . . . . ?
C49 C50 U3 C71 66.1(4) . . . . ?
C51 C50 U3 C70 178.6(4) . . . . ?
C49 C50 U3 C70 33.9(5) . . . . ?
C51 C50 U3 C72 -131.3(4) . . . . ?
C49 C50 U3 C72 84.0(5) . . . . ?
C54 C53 U3 O2 -157.3(4) . . . . ?
C52 C53 U3 O2 58.3(5) . . . . ?
C54 C53 U3 C50 103.6(5) . . . . ?
C52 C53 U3 C50 -40.8(4) . . . . ?
C52 C53 U3 C54 -144.4(7) . . . . ?
C54 C53 U3 C52 144.4(7) . . . . ?
C54 C53 U3 C55 21.6(4) . . . . ?
C52 C53 U3 C55 -122.8(5) . . . . ?
C54 C53 U3 C51 126.6(5) . . . . ?
C52 C53 U3 C51 -17.8(4) . . . . ?
C54 C53 U3 C49 73.6(5) . . . . ?
C52 C53 U3 C49 -70.8(5) . . . . ?
C54 C53 U3 C56 45.3(4) . . . . ?
C52 C53 U3 C56 -99.1(5) . . . . ?
C54 C53 U3 C71 -39.1(10) . . . . ?
C52 C53 U3 C71 176.5(7) . . . . ?
C54 C53 U3 C70 -5.9(6) . . . . ?
C52 C53 U3 C70 -150.3(4) . . . . ?
C54 C53 U3 C72 -84.1(5) . . . . ?
C52 C53 U3 C72 131.5(5) . . . . ?
C53 C54 U3 O2 27.9(5) . . . . ?
C55 C54 U3 O2 170.1(4) . . . . ?
Si8 C54 U3 O2 -75.3(5) . . . . ?
C53 C54 U3 C50 -72.5(5) . . . . ?
C55 C54 U3 C50 69.7(4) . . . . ?
Si8 C54 U3 C50 -175.7(5) . . . . ?
C55 C54 U3 C53 142.3(7) . . . . ?
Si8 C54 U3 C53 -103.1(7) . . . . ?
C53 C54 U3 C52 -20.4(4) . . . . ?
C55 C54 U3 C52 121.9(5) . . . . ?
Si8 C54 U3 C52 -123.5(6) . . . . ?
C53 C54 U3 C55 -142.3(7) . . . . ?
Si8 C54 U3 C55 114.6(7) . . . . ?
C53 C54 U3 C51 -43.8(4) . . . . ?
C55 C54 U3 C51 98.5(4) . . . . ?
Si8 C54 U3 C51 -146.9(5) . . . . ?
C53 C54 U3 C49 -102.6(5) . . . . ?
C55 C54 U3 C49 39.6(4) . . . . ?
Si8 C54 U3 C49 154.2(5) . . . . ?
C53 C54 U3 C56 -124.8(5) . . . . ?
C55 C54 U3 C56 17.4(4) . . . . ?
Si8 C54 U3 C56 132.0(6) . . . . ?
C53 C54 U3 C71 165.5(4) . . . . ?
C55 C54 U3 C71 -52.3(5) . . . . ?
Si8 C54 U3 C71 62.3(6) . . . . ?
C53 C54 U3 C70 175.9(4) . . . . ?
C55 C54 U3 C70 -41.9(5) . . . . ?
Si8 C54 U3 C70 72.7(5) . . . . ?
C53 C54 U3 C72 125.8(5) . . . . ?
C55 C54 U3 C72 -92.0(5) . . . . ?
Si8 C54 U3 C72 22.6(6) . . . . ?
C51 C52 U3 O2 90.2(4) . . . . ?
C53 C52 U3 O2 -121.4(5) . . . . ?
C51 C52 U3 C50 -18.4(4) . . . . ?
C53 C52 U3 C50 130.1(5) . . . . ?
C51 C52 U3 C53 -148.4(7) . . . . ?
C51 C52 U3 C54 -128.1(5) . . . . ?
C53 C52 U3 C54 20.4(4) . . . . ?
C51 C52 U3 C55 -101.9(5) . . . . ?
C53 C52 U3 C55 46.5(4) . . . . ?
C53 C52 U3 C51 148.4(7) . . . . ?
C51 C52 U3 C49 -43.2(4) . . . . ?
C53 C52 U3 C49 105.2(5) . . . . ?
C51 C52 U3 C56 -72.7(4) . . . . ?
C53 C52 U3 C56 75.7(5) . . . . ?
C51 C52 U3 C71 35.5(11) . . . . ?
C53 C52 U3 C71 -176.1(8) . . . . ?
C51 C52 U3 C70 -79.3(8) . . . . ?
C53 C52 U3 C70 69.1(9) . . . . ?
C51 C52 U3 C72 117.1(6) . . . . ?
C53 C52 U3 C72 -94.4(6) . . . . ?
C56 C55 U3 O2 130.4(5) . . . . ?
C54 C55 U3 O2 -18.9(7) . . . . ?
C56 C55 U3 C50 43.2(4) . . . . ?
C54 C55 U3 C50 -106.1(4) . . . . ?
C56 C55 U3 C53 127.7(5) . . . . ?
C54 C55 U3 C53 -21.6(4) . . . . ?
C56 C55 U3 C54 149.3(6) . . . . ?
C56 C55 U3 C52 101.8(4) . . . . ?
C54 C55 U3 C52 -47.5(4) . . . . ?
C56 C55 U3 C51 72.9(4) . . . . ?
C54 C55 U3 C51 -76.4(4) . . . . ?
C56 C55 U3 C49 17.6(4) . . . . ?
C54 C55 U3 C49 -131.7(5) . . . . ?
C54 C55 U3 C56 -149.3(6) . . . . ?
C56 C55 U3 C71 -67.5(4) . . . . ?
C54 C55 U3 C71 143.2(4) . . . . ?
C56 C55 U3 C70 -70.3(4) . . . . ?
C54 C55 U3 C70 140.4(4) . . . . ?
C56 C55 U3 C72 -99.3(4) . . . . ?
C54 C55 U3 C72 111.4(4) . . . . ?
C52 C51 U3 O2 -85.6(4) . . . . ?
C50 C51 U3 O2 126.3(5) . . . . ?
C52 C51 U3 C50 148.1(7) . . . . ?
C52 C51 U3 C53 18.3(4) . . . . ?
C50 C51 U3 C53 -129.8(5) . . . . ?
C52 C51 U3 C54 42.7(4) . . . . ?
C50 C51 U3 C54 -105.3(5) . . . . ?
C50 C51 U3 C52 -148.1(7) . . . . ?
C52 C51 U3 C55 72.8(4) . . . . ?
C50 C51 U3 C55 -75.3(5) . . . . ?
C52 C51 U3 C49 127.6(5) . . . . ?
C50 C51 U3 C49 -20.5(4) . . . . ?
C52 C51 U3 C56 102.0(5) . . . . ?
C50 C51 U3 C56 -46.0(4) . . . . ?
C52 C51 U3 C71 -167.5(4) . . . . ?
C50 C51 U3 C71 44.4(6) . . . . ?
C52 C51 U3 C70 146.0(4) . . . . ?
C50 C51 U3 C70 -2.1(6) . . . . ?
C52 C51 U3 C72 -120.6(6) . . . . ?
C50 C51 U3 C72 91.4(6) . . . . ?
C56 C49 U3 O2 -166.7(4) . . . . ?
C50 C49 U3 O2 -24.4(5) . . . . ?
Si7 C49 U3 O2 76.0(6) . . . . ?
C56 C49 U3 C50 -142.2(6) . . . . ?
Si7 C49 U3 C50 100.4(7) . . . . ?
C56 C49 U3 C53 -69.6(4) . . . . ?
C50 C49 U3 C53 72.6(4) . . . . ?
Si7 C49 U3 C53 173.1(6) . . . . ?
C56 C49 U3 C54 -40.1(4) . . . . ?
C50 C49 U3 C54 102.1(4) . . . . ?
Si7 C49 U3 C54 -157.5(6) . . . . ?
C56 C49 U3 C52 -98.8(4) . . . . ?
C50 C49 U3 C52 43.5(4) . . . . ?
Si7 C49 U3 C52 143.9(6) . . . . ?
C56 C49 U3 C55 -17.7(4) . . . . ?
C50 C49 U3 C55 124.6(5) . . . . ?
Si7 C49 U3 C55 -135.0(6) . . . . ?
C56 C49 U3 C51 -122.3(5) . . . . ?
C50 C49 U3 C51 19.9(4) . . . . ?
Si7 C49 U3 C51 120.4(6) . . . . ?
C50 C49 U3 C56 142.2(6) . . . . ?
Si7 C49 U3 C56 -117.3(8) . . . . ?
C56 C49 U3 C71 95.5(4) . . . . ?
C50 C49 U3 C71 -122.2(4) . . . . ?
Si7 C49 U3 C71 -21.8(6) . . . . ?
C56 C49 U3 C70 69.1(4) . . . . ?
C50 C49 U3 C70 -148.7(4) . . . . ?
Si7 C49 U3 C70 -48.2(6) . . . . ?
C56 C49 U3 C72 92.8(5) . . . . ?
C50 C49 U3 C72 -124.9(4) . . . . ?
Si7 C49 U3 C72 -24.5(7) . . . . ?
C55 C56 U3 O2 -121.6(6) . . . . ?
C49 C56 U3 O2 27.5(8) . . . . ?
C55 C56 U3 C50 -127.1(5) . . . . ?
C49 C56 U3 C50 22.0(4) . . . . ?
C55 C56 U3 C53 -42.8(4) . . . . ?
C49 C56 U3 C53 106.4(4) . . . . ?
C55 C56 U3 C54 -17.7(4) . . . . ?
C49 C56 U3 C54 131.4(5) . . . . ?
C55 C56 U3 C52 -72.8(4) . . . . ?
C49 C56 U3 C52 76.3(4) . . . . ?
C49 C56 U3 C55 149.1(6) . . . . ?
C55 C56 U3 C51 -101.8(4) . . . . ?
C49 C56 U3 C51 47.4(4) . . . . ?
C55 C56 U3 C49 -149.1(6) . . . . ?
C55 C56 U3 C71 121.1(4) . . . . ?
C49 C56 U3 C71 -89.8(4) . . . . ?
C55 C56 U3 C70 104.7(4) . . . . ?
C49 C56 U3 C70 -106.2(4) . . . . ?
C55 C56 U3 C72 101.6(4) . . . . ?
C49 C56 U3 C72 -109.3(4) . . . . ?
C72 C71 U3 O2 54.5(4) . . . . ?
C70 C71 U3 O2 166.7(5) . . . . ?
C65 C71 U3 O2 -68.6(6) . . . . ?
C72 C71 U3 C50 156.0(4) . . . . ?
C70 C71 U3 C50 -91.8(5) . . . . ?
C65 C71 U3 C50 32.9(7) . . . . ?
C72 C71 U3 C53 -64.5(10) . . . . ?
C70 C71 U3 C53 47.6(11) . . . . ?
C65 C71 U3 C53 172.3(7) . . . . ?
C72 C71 U3 C54 -91.9(5) . . . . ?
C70 C71 U3 C54 20.3(6) . . . . ?
C65 C71 U3 C54 144.9(5) . . . . ?
C72 C71 U3 C52 108.3(10) . . . . ?
C70 C71 U3 C52 -139.5(9) . . . . ?
C65 C71 U3 C52 -14.8(13) . . . . ?
C72 C71 U3 C55 -117.8(4) . . . . ?
C70 C71 U3 C55 -5.6(6) . . . . ?
C65 C71 U3 C55 119.1(6) . . . . ?
C72 C71 U3 C51 133.6(4) . . . . ?
C70 C71 U3 C51 -114.3(5) . . . . ?
C65 C71 U3 C51 10.4(7) . . . . ?
C72 C71 U3 C49 -175.7(4) . . . . ?
C70 C71 U3 C49 -63.5(5) . . . . ?
C65 C71 U3 C49 61.2(6) . . . . ?
C72 C71 U3 C56 -145.6(4) . . . . ?
C70 C71 U3 C56 -33.4(5) . . . . ?
C65 C71 U3 C56 91.2(6) . . . . ?
C72 C71 U3 C70 -112.2(7) . . . . ?
C65 C71 U3 C70 124.7(9) . . . . ?
C70 C71 U3 C72 112.2(7) . . . . ?
C65 C71 U3 C72 -123.1(8) . . . . ?
C69 C70 U3 O2 99.0(5) . . . . ?
C71 C70 U3 O2 -15.2(6) . . . . ?
C64 C70 U3 O2 -135.1(6) . . . . ?
C69 C70 U3 C50 -144.8(5) . . . . ?
C71 C70 U3 C50 101.0(5) . . . . ?
C64 C70 U3 C50 -18.9(7) . . . . ?
C69 C70 U3 C53 -48.1(6) . . . . ?
C71 C70 U3 C53 -162.3(4) . . . . ?
C64 C70 U3 C53 77.8(8) . . . . ?
C69 C70 U3 C54 -51.2(5) . . . . ?
C71 C70 U3 C54 -165.5(5) . . . . ?
C64 C70 U3 C54 74.6(7) . . . . ?
C69 C70 U3 C52 -92.9(8) . . . . ?
C71 C70 U3 C52 152.9(6) . . . . ?
C64 C70 U3 C52 33.0(12) . . . . ?
C69 C70 U3 C55 -70.9(5) . . . . ?
C71 C70 U3 C55 174.8(5) . . . . ?
C64 C70 U3 C55 54.9(7) . . . . ?
C69 C70 U3 C51 -143.7(5) . . . . ?
C71 C70 U3 C51 102.1(5) . . . . ?
C64 C70 U3 C51 -17.8(9) . . . . ?
C69 C70 U3 C49 -128.1(5) . . . . ?
C71 C70 U3 C49 117.6(5) . . . . ?
C64 C70 U3 C49 -2.3(7) . . . . ?
C69 C70 U3 C56 -99.7(5) . . . . ?
C71 C70 U3 C56 146.0(5) . . . . ?
C64 C70 U3 C56 26.1(7) . . . . ?
C69 C70 U3 C71 114.3(7) . . . . ?
C64 C70 U3 C71 -119.9(9) . . . . ?
C69 C70 U3 C72 76.9(5) . . . . ?
C71 C70 U3 C72 -37.4(4) . . . . ?
C64 C70 U3 C72 -157.3(8) . . . . ?
C71 C72 U3 O2 -121.9(5) . . . . ?
C68 C72 U3 O2 124.7(5) . . . . ?
C66 C72 U3 O2 1.4(7) . . . . ?
C71 C72 U3 C50 -35.1(6) . . . . ?
C68 C72 U3 C50 -148.5(4) . . . . ?
C66 C72 U3 C50 88.3(7) . . . . ?
C71 C72 U3 C53 156.6(4) . . . . ?
C68 C72 U3 C53 43.2(6) . . . . ?
C66 C72 U3 C53 -80.0(7) . . . . ?
C71 C72 U3 C54 115.9(5) . . . . ?
C68 C72 U3 C54 2.4(6) . . . . ?
C66 C72 U3 C54 -120.8(7) . . . . ?
C71 C72 U3 C52 -149.8(5) . . . . ?
C68 C72 U3 C52 96.8(6) . . . . ?
C66 C72 U3 C52 -26.5(10) . . . . ?
C71 C72 U3 C55 78.2(5) . . . . ?
C68 C72 U3 C55 -35.2(6) . . . . ?
C66 C72 U3 C55 -158.4(6) . . . . ?
C71 C72 U3 C51 -85.6(6) . . . . ?
C68 C72 U3 C51 161.0(5) . . . . ?
C66 C72 U3 C51 37.8(10) . . . . ?
C71 C72 U3 C49 5.5(5) . . . . ?
C68 C72 U3 C49 -108.0(5) . . . . ?
C66 C72 U3 C49 128.8(7) . . . . ?
C71 C72 U3 C56 42.0(5) . . . . ?
C68 C72 U3 C56 -71.4(5) . . . . ?
C66 C72 U3 C56 165.4(6) . . . . ?
C68 C72 U3 C71 -113.4(6) . . . . ?
C66 C72 U3 C71 123.3(9) . . . . ?
C71 C72 U3 C70 38.0(4) . . . . ?
C68 C72 U3 C70 -75.5(5) . . . . ?
C66 C72 U3 C70 161.3(8) . . . . ?
U3 O2 U4 C79 -83.9(8) . . . . ?
U3 O2 U4 C76 -4.5(8) . . . . ?
U3 O2 U4 C78 -57.8(8) . . . . ?
U3 O2 U4 C77 -27.7(8) . . . . ?
U3 O2 U4 C73 -89.9(9) . . . . ?
U3 O2 U4 C80 -98.7(8) . . . . ?
U3 O2 U4 C75 7.4(9) . . . . ?
U3 O2 U4 C91 139.8(9) . . . . ?
U3 O2 U4 C92 161.3(8) . . . . ?
U3 O2 U4 C74 -14.3(12) . . . . ?
U3 O2 U4 C90 113.3(8) . . . . ?
C78 C79 U4 O2 59.6(4) . . . . ?
C80 C79 U4 O2 -155.3(4) . . . . ?
C78 C79 U4 C76 -41.6(4) . . . . ?
C80 C79 U4 C76 103.5(4) . . . . ?
C80 C79 U4 C78 145.1(7) . . . . ?
C78 C79 U4 C77 -18.6(4) . . . . ?
C80 C79 U4 C77 126.5(5) . . . . ?
C78 C79 U4 C73 -123.7(5) . . . . ?
C80 C79 U4 C73 21.4(4) . . . . ?
C78 C79 U4 C80 -145.1(7) . . . . ?
C78 C79 U4 C75 -71.2(4) . . . . ?
C80 C79 U4 C75 74.0(4) . . . . ?
C78 C79 U4 C91 131.1(5) . . . . ?
C80 C79 U4 C91 -83.7(5) . . . . ?
C78 C79 U4 C92 157.3(4) . . . . ?
C80 C79 U4 C92 -57.6(5) . . . . ?
C78 C79 U4 C74 -100.1(4) . . . . ?
C80 C79 U4 C74 45.0(4) . . . . ?
C78 C79 U4 C90 156.0(8) . . . . ?
C80 C79 U4 C90 -58.9(10) . . . . ?
C77 C76 U4 O2 -51.8(5) . . . . ?
C75 C76 U4 O2 162.1(4) . . . . ?
C77 C76 U4 C79 41.4(5) . . . . ?
C75 C76 U4 C79 -104.6(5) . . . . ?
C77 C76 U4 C78 18.0(4) . . . . ?
C75 C76 U4 C78 -128.0(5) . . . . ?
C75 C76 U4 C77 -146.1(7) . . . . ?
C77 C76 U4 C73 100.3(5) . . . . ?
C75 C76 U4 C73 -45.7(4) . . . . ?
C77 C76 U4 C80 71.4(5) . . . . ?
C75 C76 U4 C80 -74.7(5) . . . . ?
C77 C76 U4 C75 146.1(7) . . . . ?
C77 C76 U4 C91 -129.7(5) . . . . ?
C75 C76 U4 C91 84.2(6) . . . . ?
C77 C76 U4 C92 168.9(7) . . . . ?
C75 C76 U4 C92 22.8(10) . . . . ?
C77 C76 U4 C74 124.0(5) . . . . ?
C75 C76 U4 C74 -22.0(4) . . . . ?
C77 C76 U4 C90 -144.4(5) . . . . ?
C75 C76 U4 C90 69.6(5) . . . . ?
C79 C78 U4 O2 -119.4(4) . . . . ?
C77 C78 U4 O2 93.3(4) . . . . ?
C77 C78 U4 C79 -147.3(7) . . . . ?
C79 C78 U4 C76 129.3(5) . . . . ?
C77 C78 U4 C76 -18.0(4) . . . . ?
C79 C78 U4 C77 147.3(7) . . . . ?
C79 C78 U4 C73 46.1(4) . . . . ?
C77 C78 U4 C73 -101.1(4) . . . . ?
C79 C78 U4 C80 20.2(4) . . . . ?
C77 C78 U4 C80 -127.0(5) . . . . ?
C79 C78 U4 C75 105.1(4) . . . . ?
C77 C78 U4 C75 -42.1(4) . . . . ?
C79 C78 U4 C91 -86.0(6) . . . . ?
C77 C78 U4 C91 126.7(6) . . . . ?
C79 C78 U4 C92 -34.0(6) . . . . ?
C77 C78 U4 C92 178.8(4) . . . . ?
C79 C78 U4 C74 75.1(4) . . . . ?
C77 C78 U4 C74 -72.1(4) . . . . ?
C79 C78 U4 C90 -154.0(9) . . . . ?
C77 C78 U4 C90 58.8(11) . . . . ?
C76 C77 U4 O2 129.3(5) . . . . ?
C78 C77 U4 O2 -82.2(4) . . . . ?
C76 C77 U4 C79 -129.7(5) . . . . ?
C78 C77 U4 C79 18.8(4) . . . . ?
C78 C77 U4 C76 148.5(7) . . . . ?
C76 C77 U4 C78 -148.5(7) . . . . ?
C76 C77 U4 C73 -74.7(5) . . . . ?
C78 C77 U4 C73 73.8(4) . . . . ?
C76 C77 U4 C80 -104.8(5) . . . . ?
C78 C77 U4 C80 43.8(4) . . . . ?
C76 C77 U4 C75 -19.7(4) . . . . ?
C78 C77 U4 C75 128.8(5) . . . . ?
C76 C77 U4 C91 101.8(7) . . . . ?
C78 C77 U4 C91 -109.6(7) . . . . ?
C76 C77 U4 C92 -153.3(15) . . . . ?
C78 C77 U4 C92 -4.8(18) . . . . ?
C76 C77 U4 C74 -45.7(4) . . . . ?
C78 C77 U4 C74 102.8(4) . . . . ?
C76 C77 U4 C90 52.8(6) . . . . ?
C78 C77 U4 C90 -158.7(5) . . . . ?
C74 C73 U4 O2 134.6(5) . . . . ?
C80 C73 U4 O2 -14.7(7) . . . . ?
C74 C73 U4 C79 127.4(6) . . . . ?
C80 C73 U4 C79 -21.8(4) . . . . ?
C74 C73 U4 C76 43.1(5) . . . . ?
C80 C73 U4 C76 -106.2(5) . . . . ?
C74 C73 U4 C78 102.0(5) . . . . ?
C80 C73 U4 C78 -47.3(5) . . . . ?
C74 C73 U4 C77 72.5(5) . . . . ?
C80 C73 U4 C77 -76.7(5) . . . . ?
C74 C73 U4 C80 149.3(8) . . . . ?
C74 C73 U4 C75 17.5(5) . . . . ?
C80 C73 U4 C75 -131.8(5) . . . . ?
C74 C73 U4 C91 -105.6(5) . . . . ?
C80 C73 U4 C91 105.1(5) . . . . ?
C74 C73 U4 C92 -116.5(5) . . . . ?
C80 C73 U4 C92 94.2(5) . . . . ?
C80 C73 U4 C74 -149.3(8) . . . . ?
C74 C73 U4 C90 -71.9(6) . . . . ?
C80 C73 U4 C90 138.9(5) . . . . ?
C73 C80 U4 O2 172.1(4) . . . . ?
C79 C80 U4 O2 29.8(5) . . . . ?
Si5 C80 U4 O2 -74.9(7) . . . . ?
C73 C80 U4 C79 142.3(7) . . . . ?
Si5 C80 U4 C79 -104.7(8) . . . . ?
C73 C80 U4 C76 69.7(5) . . . . ?
C79 C80 U4 C76 -72.6(4) . . . . ?
Si5 C80 U4 C76 -177.2(7) . . . . ?
C73 C80 U4 C78 122.5(5) . . . . ?
C79 C80 U4 C78 -19.8(4) . . . . ?
Si5 C80 U4 C78 -124.5(8) . . . . ?
C73 C80 U4 C77 98.5(5) . . . . ?
C79 C80 U4 C77 -43.8(4) . . . . ?
Si5 C80 U4 C77 -148.5(7) . . . . ?
C79 C80 U4 C73 -142.3(7) . . . . ?
Si5 C80 U4 C73 113.0(9) . . . . ?
C73 C80 U4 C75 39.8(5) . . . . ?
C79 C80 U4 C75 -102.5(5) . . . . ?
Si5 C80 U4 C75 152.8(7) . . . . ?
C73 C80 U4 C91 -95.7(5) . . . . ?
C79 C80 U4 C91 122.0(5) . . . . ?
Si5 C80 U4 C91 17.3(8) . . . . ?
C73 C80 U4 C92 -88.5(5) . . . . ?
C79 C80 U4 C92 129.2(5) . . . . ?
Si5 C80 U4 C92 24.6(7) . . . . ?
C73 C80 U4 C74 17.4(4) . . . . ?
C79 C80 U4 C74 -124.9(5) . . . . ?
Si5 C80 U4 C74 130.4(8) . . . . ?
C73 C80 U4 C90 -59.9(6) . . . . ?
C79 C80 U4 C90 157.8(5) . . . . ?
Si5 C80 U4 C90 53.1(9) . . . . ?
C76 C75 U4 O2 -23.3(6) . . . . ?
C74 C75 U4 O2 -164.6(4) . . . . ?
Si6 C75 U4 O2 78.5(7) . . . . ?
C76 C75 U4 C79 71.6(5) . . . . ?
C74 C75 U4 C79 -69.7(5) . . . . ?
Si6 C75 U4 C79 173.4(7) . . . . ?
C74 C75 U4 C76 -141.3(7) . . . . ?
Si6 C75 U4 C76 101.8(8) . . . . ?
C76 C75 U4 C78 42.6(5) . . . . ?
C74 C75 U4 C78 -98.7(5) . . . . ?
Si6 C75 U4 C78 144.3(7) . . . . ?
C76 C75 U4 C77 19.2(4) . . . . ?
C74 C75 U4 C77 -122.1(5) . . . . ?
Si6 C75 U4 C77 121.0(7) . . . . ?
C76 C75 U4 C73 124.1(5) . . . . ?
C74 C75 U4 C73 -17.1(4) . . . . ?
Si6 C75 U4 C73 -134.1(8) . . . . ?
C76 C75 U4 C80 101.7(5) . . . . ?
C74 C75 U4 C80 -39.6(5) . . . . ?
Si6 C75 U4 C80 -156.5(7) . . . . ?
C76 C75 U4 C91 -129.5(5) . . . . ?
C74 C75 U4 C91 89.2(6) . . . . ?
Si6 C75 U4 C91 -27.7(8) . . . . ?
C76 C75 U4 C92 -169.3(5) . . . . ?
C74 C75 U4 C92 49.4(6) . . . . ?
Si6 C75 U4 C92 -67.5(8) . . . . ?
C76 C75 U4 C74 141.3(7) . . . . ?
Si6 C75 U4 C74 -116.9(9) . . . . ?
C76 C75 U4 C90 -121.3(5) . . . . ?
C74 C75 U4 C90 97.4(5) . . . . ?
Si6 C75 U4 C90 -19.5(7) . . . . ?
C90 C91 U4 O2 -114.2(6) . . . . ?
C92 C91 U4 O2 133.5(6) . . . . ?
C97A C91 U4 O2 -15(4) . . . . ?
C97B C91 U4 O2 15.9(18) . . . . ?
C90 C91 U4 C79 165.3(5) . . . . ?
C92 C91 U4 C79 53.1(7) . . . . ?
C97A C91 U4 C79 -95(4) . . . . ?
C97B C91 U4 C79 -64.5(19) . . . . ?
C90 C91 U4 C76 -27.2(8) . . . . ?
C92 C91 U4 C76 -139.4(5) . . . . ?
C97A C91 U4 C76 72(4) . . . . ?
C97B C91 U4 C76 103.0(19) . . . . ?
C90 C91 U4 C78 -148.7(5) . . . . ?
C92 C91 U4 C78 99.1(6) . . . . ?
C97A C91 U4 C78 -49(4) . . . . ?
C97B C91 U4 C78 -19(2) . . . . ?
C90 C91 U4 C77 -85.7(7) . . . . ?
C92 C91 U4 C77 162.1(5) . . . . ?
C97A C91 U4 C77 14(4) . . . . ?
C97B C91 U4 C77 44(2) . . . . ?
C90 C91 U4 C73 90.2(6) . . . . ?
C92 C91 U4 C73 -22.0(6) . . . . ?
C97A C91 U4 C73 -170(4) . . . . ?
C97B C91 U4 C73 -139.6(18) . . . . ?
C90 C91 U4 C80 126.7(5) . . . . ?
C92 C91 U4 C80 14.5(6) . . . . ?
C97A C91 U4 C80 -134(4) . . . . ?
C97B C91 U4 C80 -103.1(19) . . . . ?
C90 C91 U4 C75 16.3(7) . . . . ?
C92 C91 U4 C75 -95.9(6) . . . . ?
C97A C91 U4 C75 116(4) . . . . ?
C97B C91 U4 C75 146.5(18) . . . . ?
C90 C91 U4 C92 112.2(8) . . . . ?
C97A C91 U4 C92 -148(4) . . . . ?
C97B C91 U4 C92 -118(2) . . . . ?
C90 C91 U4 C74 54.5(7) . . . . ?
C92 C91 U4 C74 -57.7(6) . . . . ?
C97A C91 U4 C74 154(4) . . . . ?
C97B C91 U4 C74 -175.3(18) . . . . ?
C92 C91 U4 C90 -112.2(8) . . . . ?
C97A C91 U4 C90 99(4) . . . . ?
C97B C91 U4 C90 130(2) . . . . ?
C88 C92 U4 O2 -157.3(6) . . . . ?
C91 C92 U4 O2 -44.2(5) . . . . ?
C93 C92 U4 O2 80.8(8) . . . . ?
C88 C92 U4 C79 104.5(6) . . . . ?
C91 C92 U4 C79 -142.4(5) . . . . ?
C93 C92 U4 C79 -17.4(9) . . . . ?
C88 C92 U4 C76 -17.1(11) . . . . ?
C91 C92 U4 C76 96.1(8) . . . . ?
C93 C92 U4 C76 -139.0(8) . . . . ?
C88 C92 U4 C78 122.4(6) . . . . ?
C91 C92 U4 C78 -124.4(6) . . . . ?
C93 C92 U4 C78 0.5(10) . . . . ?
C88 C92 U4 C77 126.2(15) . . . . ?
C91 C92 U4 C77 -120.6(15) . . . . ?
C93 C92 U4 C77 4(2) . . . . ?
C88 C92 U4 C73 48.4(6) . . . . ?
C91 C92 U4 C73 161.6(5) . . . . ?
C93 C92 U4 C73 -73.5(8) . . . . ?
C88 C92 U4 C80 78.7(6) . . . . ?
C91 C92 U4 C80 -168.1(5) . . . . ?
C93 C92 U4 C80 -43.2(9) . . . . ?
C88 C92 U4 C75 -2.4(8) . . . . ?
C91 C92 U4 C75 110.7(5) . . . . ?
C93 C92 U4 C75 -124.4(8) . . . . ?
C88 C92 U4 C91 -113.1(9) . . . . ?
C93 C92 U4 C91 124.9(11) . . . . ?
C88 C92 U4 C74 21.0(7) . . . . ?
C91 C92 U4 C74 134.2(5) . . . . ?
C93 C92 U4 C74 -100.9(8) . . . . ?
C88 C92 U4 C90 -76.0(6) . . . . ?
C91 C92 U4 C90 37.1(5) . . . . ?
C93 C92 U4 C90 162.1(10) . . . . ?
C73 C74 U4 O2 -116.1(6) . . . . ?
C75 C74 U4 O2 33.6(9) . . . . ?
C73 C74 U4 C79 -43.3(5) . . . . ?
C75 C74 U4 C79 106.4(5) . . . . ?
C73 C74 U4 C76 -127.4(6) . . . . ?
C75 C74 U4 C76 22.3(4) . . . . ?
C73 C74 U4 C78 -73.1(5) . . . . ?
C75 C74 U4 C78 76.6(5) . . . . ?
C73 C74 U4 C77 -102.3(5) . . . . ?
C75 C74 U4 C77 47.4(5) . . . . ?
C75 C74 U4 C73 149.7(8) . . . . ?
C73 C74 U4 C80 -17.8(5) . . . . ?
C75 C74 U4 C80 131.9(6) . . . . ?
C73 C74 U4 C75 -149.7(8) . . . . ?
C73 C74 U4 C91 94.8(6) . . . . ?
C75 C74 U4 C91 -115.5(5) . . . . ?
C73 C74 U4 C92 68.5(5) . . . . ?
C75 C74 U4 C92 -141.8(5) . . . . ?
C73 C74 U4 C90 119.3(5) . . . . ?
C75 C74 U4 C90 -90.9(5) . . . . ?
C91 C90 U4 O2 61.0(5) . . . . ?
C89 C90 U4 O2 175.1(6) . . . . ?
C96B C90 U4 O2 -62.3(10) . . . . ?
C91 C90 U4 C79 -36.7(11) . . . . ?
C89 C90 U4 C79 77.4(11) . . . . ?
C96B C90 U4 C79 -160.0(10) . . . . ?
C91 C90 U4 C76 162.9(5) . . . . ?
C89 C90 U4 C76 -83.0(6) . . . . ?
C96B C90 U4 C76 39.6(10) . . . . ?
C91 C90 U4 C78 95.1(11) . . . . ?
C89 C90 U4 C78 -150.8(8) . . . . ?
C96B C90 U4 C78 -28.2(16) . . . . ?
C91 C90 U4 C77 136.3(5) . . . . ?
C89 C90 U4 C77 -109.6(6) . . . . ?
C96B C90 U4 C77 13.0(11) . . . . ?
C91 C90 U4 C73 -107.2(6) . . . . ?
C89 C90 U4 C73 6.9(7) . . . . ?
C96B C90 U4 C73 129.5(9) . . . . ?
C91 C90 U4 C80 -77.6(7) . . . . ?
C89 C90 U4 C80 36.5(8) . . . . ?
C96B C90 U4 C80 159.1(9) . . . . ?
C91 C90 U4 C75 -167.7(5) . . . . ?
C89 C90 U4 C75 -53.5(6) . . . . ?
C96B C90 U4 C75 69.1(10) . . . . ?
C89 C90 U4 C91 114.1(9) . . . . ?
C96B C90 U4 C91 -123.3(12) . . . . ?
C91 C90 U4 C92 -38.3(5) . . . . ?
C89 C90 U4 C92 75.8(6) . . . . ?
C96B C90 U4 C92 -161.6(11) . . . . ?
C91 C90 U4 C74 -136.4(5) . . . . ?
C89 C90 U4 C74 -22.2(7) . . . . ?
C96B C90 U4 C74 100.3(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.973
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         2.944
_refine_diff_density_min         -1.593
_refine_diff_density_rms         0.196
_database_code_depnum_ccdc_archive 'CCDC 1000011'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_7

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        7
_chemical_name_common            7
_chemical_melting_point          ?
_chemical_formula_moiety         'C50 H78 O4 Si4 U2'
_chemical_formula_sum            'C50 H78 O4 Si4 U2'
_chemical_formula_weight         1331.54
_chemical_compound_source        'synthesis as described'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.480(2)
_cell_length_b                   21.616(4)
_cell_length_c                   23.669(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5361.9(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    67463
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Plate
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_F_000             2600
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    6.162
_exptl_absorpt_correction_T_min  0.709
_exptl_absorpt_correction_T_max  0.887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_reflns_number            33451
_diffrn_reflns_av_unetI/netI     0.1487
_diffrn_reflns_av_R_equivalents  0.1878
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.197
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5455
_reflns_number_gt                2945
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
;

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
;
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
;
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+81.9440P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5455
_refine_ls_number_parameters     271
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1760
_refine_ls_R_factor_gt           0.0787
_refine_ls_wR_factor_ref         0.1221
_refine_ls_wR_factor_gt          0.1014
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.4937(11) -0.0352(6) 0.4969(6) 0.032(4) Uani 1 1 d . . . . .
C2 C 0.5133(13) 0.0993(6) 0.3401(6) 0.031(3) Uani 1 1 d . . . . .
C3 C 0.5817(12) 0.0459(6) 0.3502(6) 0.036(4) Uani 1 1 d . . . . .
H3 H 0.6628 0.0557 0.3657 0.043 Uiso 1 1 calc R U . . .
C4 C 0.5685(11) -0.0184(7) 0.3444(5) 0.033(3) Uani 1 1 d . . . . .
H4 H 0.6423 -0.0390 0.3582 0.039 Uiso 1 1 calc R U . . .
C5 C 0.4773(11) -0.0622(7) 0.3241(6) 0.032(3) Uani 1 1 d . . . . .
C6 C 0.3610(13) -0.0501(7) 0.2954(6) 0.040(4) Uani 1 1 d . . . . .
H6 H 0.3151 -0.0871 0.2879 0.048 Uiso 1 1 calc R U . . .
C7 C 0.2957(12) 0.0029(6) 0.2750(5) 0.033(4) Uani 1 1 d . . . . .
H7 H 0.2250 -0.0075 0.2517 0.039 Uiso 1 1 calc R U . . .
C8 C 0.3109(12) 0.0673(7) 0.2811(5) 0.040(4) Uani 1 1 d . . . . .
H8 H 0.2467 0.0895 0.2613 0.048 Uiso 1 1 calc R U . . .
C9 C 0.3960(12) 0.1072(7) 0.3087(6) 0.037(4) Uani 1 1 d . . . . .
H9 H 0.3707 0.1493 0.3061 0.044 Uiso 1 1 calc R U . . .
C10 C 0.4672(14) 0.2323(6) 0.3837(8) 0.069(5) Uani 1 1 d . . . . .
H10A H 0.4184 0.2166 0.4160 0.103 Uiso 1 1 calc R U . . .
H10B H 0.4092 0.2403 0.3521 0.103 Uiso 1 1 calc R U . . .
H10C H 0.5102 0.2708 0.3944 0.103 Uiso 1 1 calc R U . . .
C11 C 0.6772(16) 0.2053(7) 0.3014(7) 0.070(5) Uani 1 1 d . . . . .
H11A H 0.7421 0.1752 0.2898 0.105 Uiso 1 1 calc R U . . .
H11B H 0.7187 0.2442 0.3121 0.105 Uiso 1 1 calc R U . . .
H11C H 0.6184 0.2128 0.2699 0.105 Uiso 1 1 calc R U . . .
C12 C 0.6968(14) 0.1644(7) 0.4237(7) 0.063(5) Uani 1 1 d . . . . .
H12A H 0.7629 0.1340 0.4141 0.094 Uiso 1 1 calc R U . . .
H12B H 0.6483 0.1497 0.4565 0.094 Uiso 1 1 calc R U . . .
H12C H 0.7370 0.2041 0.4328 0.094 Uiso 1 1 calc R U . . .
C13 C 0.5565(13) -0.1784(7) 0.2645(6) 0.052(4) Uani 1 1 d . . . . .
H13A H 0.6314 -0.1561 0.2503 0.078 Uiso 1 1 calc R U . . .
H13B H 0.4856 -0.1735 0.2379 0.078 Uiso 1 1 calc R U . . .
H13C H 0.5771 -0.2224 0.2686 0.078 Uiso 1 1 calc R U . . .
C14 C 0.6382(16) -0.1593(6) 0.3853(7) 0.069(5) Uani 1 1 d . . . . .
H14A H 0.7153 -0.1375 0.3728 0.104 Uiso 1 1 calc R U . . .
H14B H 0.6560 -0.2038 0.3878 0.104 Uiso 1 1 calc R U . . .
H14C H 0.6123 -0.1438 0.4224 0.104 Uiso 1 1 calc R U . . .
C15 C 0.3694(15) -0.1890(7) 0.3610(8) 0.075(6) Uani 1 1 d . . . . .
H15A H 0.3915 -0.2328 0.3657 0.113 Uiso 1 1 calc R U . . .
H15B H 0.2991 -0.1852 0.3339 0.113 Uiso 1 1 calc R U . . .
H15C H 0.3431 -0.1718 0.3975 0.113 Uiso 1 1 calc R U . . .
C16 C 0.0532(14) 0.1171(8) 0.3444(7) 0.076(6) Uani 1 1 d . . . . .
H16A H 0.0236 0.0967 0.3097 0.115 Uiso 1 1 calc R U . . .
H16B H 0.1229 0.1456 0.3352 0.115 Uiso 1 1 calc R U . . .
H16C H -0.0175 0.1401 0.3614 0.115 Uiso 1 1 calc R U . . .
C17 C 0.0192(12) -0.0307(8) 0.3333(6) 0.060(5) Uani 1 1 d . . . . .
H17A H -0.0008 -0.0011 0.3032 0.090 Uiso 1 1 calc R U . . .
H17B H -0.0598 -0.0498 0.3469 0.090 Uiso 1 1 calc R U . . .
H17C H 0.0760 -0.0629 0.3184 0.090 Uiso 1 1 calc R U . . .
C18 C 0.1173(13) -0.0922(7) 0.4476(7) 0.054(5) Uani 1 1 d . . . . .
H18A H 0.1546 -0.0987 0.4851 0.082 Uiso 1 1 calc R U . . .
H18B H 0.1630 -0.1174 0.4198 0.082 Uiso 1 1 calc R U . . .
H18C H 0.0272 -0.1043 0.4482 0.082 Uiso 1 1 calc R U . . .
C19 C 0.2010(11) 0.0153(7) 0.5304(5) 0.043(4) Uani 1 1 d . . . . .
H19A H 0.2256 0.0552 0.5467 0.064 Uiso 1 1 calc R U . . .
H19B H 0.2722 -0.0138 0.5338 0.064 Uiso 1 1 calc R U . . .
H19C H 0.1267 -0.0010 0.5507 0.064 Uiso 1 1 calc R U . . .
C20 C 0.1776(14) 0.1451(6) 0.4640(6) 0.050(4) Uani 1 1 d . . . . .
H20A H 0.1572 0.1760 0.4352 0.076 Uiso 1 1 calc R U . . .
H20B H 0.2679 0.1484 0.4743 0.076 Uiso 1 1 calc R U . . .
H20C H 0.1248 0.1523 0.4976 0.076 Uiso 1 1 calc R U . . .
C21 C 0.1511(12) 0.0809(6) 0.4410(5) 0.031(3) Uani 1 1 d . . . . .
C22 C 0.1677(11) 0.0238(7) 0.4688(5) 0.035(3) Uani 1 1 d . . . . .
C23 C 0.1283(11) -0.0233(8) 0.4314(6) 0.035(3) Uani 1 1 d . . . . .
C24 C 0.0853(11) 0.0029(7) 0.3821(6) 0.040(4) Uani 1 1 d . . . . .
C25 C 0.1013(11) 0.0679(7) 0.3863(7) 0.045(4) Uani 1 1 d . . . . .
O2 O 0.4215(7) -0.0522(4) 0.4561(3) 0.027(2) Uani 1 1 d . . . . .
O1 O 0.4482(7) 0.0692(4) 0.4685(3) 0.027(2) Uani 1 1 d . . . . .
Si1 Si 0.5872(4) 0.1744(2) 0.36244(19) 0.0440(11) Uani 1 1 d . . . . .
Si2 Si 0.5100(4) -0.1462(2) 0.3345(2) 0.0433(11) Uani 1 1 d . . . . .
U1 U 0.34755(4) 0.02158(2) 0.38647(2) 0.02896(15) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 1.257(15) 5_656 ?
C1 O2 1.281(15) . ?
C1 C1 1.54(3) 5_656 ?
C2 C3 1.379(17) . ?
C2 C9 1.447(17) . ?
C2 Si1 1.875(14) . ?
C2 U1 2.653(14) . ?
C3 C4 1.403(18) . ?
C3 U1 2.653(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.429(18) . ?
C4 U1 2.664(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.419(17) . ?
C5 Si2 1.864(14) . ?
C5 U1 2.703(13) . ?
C6 C7 1.419(17) . ?
C6 U1 2.658(14) . ?
C6 H6 0.9500 . ?
C7 C8 1.409(18) . ?
C7 U1 2.724(13) . ?
C7 H7 0.9500 . ?
C8 C9 1.402(18) . ?
C8 U1 2.710(13) . ?
C8 H8 0.9500 . ?
C9 U1 2.659(14) . ?
C9 H9 0.9500 . ?
C10 Si1 1.844(14) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si1 1.850(16) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si1 1.863(15) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si2 1.860(14) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 Si2 1.825(17) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 Si2 1.851(14) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C25 1.54(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C24 1.531(18) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C23 1.543(19) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C22 1.509(16) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.516(18) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.411(18) . ?
C21 C25 1.423(19) . ?
C21 U1 2.747(13) . ?
C22 C23 1.412(19) . ?
C22 U1 2.712(12) . ?
C23 C24 1.373(18) . ?
C23 U1 2.711(12) . ?
C24 C25 1.418(19) . ?
C24 U1 2.780(11) . ?
C25 U1 2.768(11) . ?
O2 U1 2.421(8) . ?
O1 C1 1.257(15) 5_656 ?
O1 U1 2.437(8) . ?

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
O1 C1 O2 127.7(12) 5_656 . ?
O1 C1 C1 118.3(17) 5_656 5_656 ?
O2 C1 C1 114.0(16) . 5_656 ?
C3 C2 C9 129.0(13) . . ?
C3 C2 Si1 117.5(10) . . ?
C9 C2 Si1 113.2(10) . . ?
C3 C2 U1 74.9(8) . . ?
C9 C2 U1 74.4(8) . . ?
Si1 C2 U1 134.6(6) . . ?
C2 C3 C4 139.5(14) . . ?
C2 C3 U1 75.0(8) . . ?
C4 C3 U1 75.1(7) . . ?
C2 C3 H3 110.2 . . ?
C4 C3 H3 110.2 . . ?
U1 C3 H3 138.2 . . ?
C3 C4 C5 139.0(13) . . ?
C3 C4 U1 74.2(8) . . ?
C5 C4 U1 76.1(7) . . ?
C3 C4 H4 110.5 . . ?
C5 C4 H4 110.5 . . ?
U1 C4 H4 137.0 . . ?
C6 C5 C4 127.8(13) . . ?
C6 C5 Si2 113.6(10) . . ?
C4 C5 Si2 118.5(10) . . ?
C6 C5 U1 72.9(8) . . ?
C4 C5 U1 73.1(7) . . ?
Si2 C5 U1 132.3(6) . . ?
C7 C6 C5 136.6(13) . . ?
C7 C6 U1 77.3(8) . . ?
C5 C6 U1 76.4(8) . . ?
C7 C6 H6 111.7 . . ?
C5 C6 H6 111.7 . . ?
U1 C6 H6 128.0 . . ?
C8 C7 C6 135.1(13) . . ?
C8 C7 U1 74.4(8) . . ?
C6 C7 U1 72.2(7) . . ?
C8 C7 H7 112.5 . . ?
C6 C7 H7 112.5 . . ?
U1 C7 H7 138.8 . . ?
C9 C8 C7 136.7(13) . . ?
C9 C8 U1 72.9(8) . . ?
C7 C8 U1 75.5(8) . . ?
C9 C8 H8 111.6 . . ?
C7 C8 H8 111.6 . . ?
U1 C8 H8 137.6 . . ?
C8 C9 C2 135.0(13) . . ?
C8 C9 U1 76.9(8) . . ?
C2 C9 U1 74.0(8) . . ?
C8 C9 H9 112.5 . . ?
C2 C9 H9 112.5 . . ?
U1 C9 H9 131.1 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C25 C16 H16A 109.5 . . ?
C25 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C25 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C24 C17 H17A 109.5 . . ?
C24 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C24 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 H18A 109.5 . . ?
C23 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C23 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C22 C19 H19A 109.5 . . ?
C22 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C22 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C25 107.3(12) . . ?
C22 C21 C20 127.6(13) . . ?
C25 C21 C20 125.1(13) . . ?
C22 C21 U1 73.6(7) . . ?
C25 C21 U1 75.9(7) . . ?
C20 C21 U1 117.3(9) . . ?
C21 C22 C23 107.5(12) . . ?
C21 C22 C19 125.9(14) . . ?
C23 C22 C19 125.9(14) . . ?
C21 C22 U1 76.4(7) . . ?
C23 C22 U1 74.9(7) . . ?
C19 C22 U1 122.1(7) . . ?
C24 C23 C22 109.4(13) . . ?
C24 C23 C18 125.9(14) . . ?
C22 C23 C18 124.2(13) . . ?
C24 C23 U1 78.3(7) . . ?
C22 C23 U1 74.9(7) . . ?
C18 C23 U1 120.4(8) . . ?
C23 C24 C25 108.1(14) . . ?
C23 C24 C17 126.4(14) . . ?
C25 C24 C17 125.3(15) . . ?
C23 C24 U1 72.8(7) . . ?
C25 C24 U1 74.7(7) . . ?
C17 C24 U1 123.0(8) . . ?
C24 C25 C21 107.7(14) . . ?
C24 C25 C16 126.8(16) . . ?
C21 C25 C16 124.7(15) . . ?
C24 C25 U1 75.6(7) . . ?
C21 C25 U1 74.2(7) . . ?
C16 C25 U1 123.7(9) . . ?
C1 O2 U1 120.9(8) . . ?
C1 O1 U1 118.9(9) 5_656 . ?
C10 Si1 C11 108.4(8) . . ?
C10 Si1 C12 106.7(8) . . ?
C11 Si1 C12 109.6(8) . . ?
C10 Si1 C2 112.5(7) . . ?
C11 Si1 C2 107.6(7) . . ?
C12 Si1 C2 111.9(7) . . ?
C14 Si2 C15 106.5(8) . . ?
C14 Si2 C13 109.6(7) . . ?
C15 Si2 C13 108.9(8) . . ?
C14 Si2 C5 112.0(6) . . ?
C15 Si2 C5 112.7(6) . . ?
C13 Si2 C5 107.2(7) . . ?
O2 U1 O1 66.3(3) . . ?
O2 U1 C2 119.3(3) . . ?
O1 U1 C2 77.2(3) . . ?
O2 U1 C3 93.2(4) . . ?
O1 U1 C3 76.9(4) . . ?
C2 U1 C3 30.1(4) . . ?
O2 U1 C6 98.7(4) . . ?
O1 U1 C6 150.3(4) . . ?
C2 U1 C6 89.9(4) . . ?
C3 U1 C6 78.7(4) . . ?
O2 U1 C9 150.3(3) . . ?
O1 U1 C9 100.1(4) . . ?
C2 U1 C9 31.6(4) . . ?
C3 U1 C9 57.4(4) . . ?
C6 U1 C9 80.4(4) . . ?
O2 U1 C4 76.3(3) . . ?
O1 U1 C4 93.3(3) . . ?
C2 U1 C4 58.8(4) . . ?
C3 U1 C4 30.6(4) . . ?
C6 U1 C4 57.5(4) . . ?
C9 U1 C4 78.5(4) . . ?
O2 U1 C5 76.7(4) . . ?
O1 U1 C5 120.0(3) . . ?
C2 U1 C5 82.5(4) . . ?
C3 U1 C5 59.4(4) . . ?
C6 U1 C5 30.7(4) . . ?
C9 U1 C5 89.6(4) . . ?
C4 U1 C5 30.9(4) . . ?
O2 U1 C8 155.8(4) . . ?
O1 U1 C8 129.8(4) . . ?
C2 U1 C8 58.8(4) . . ?
C3 U1 C8 76.1(4) . . ?
C6 U1 C8 58.2(5) . . ?
C9 U1 C8 30.3(4) . . ?
C4 U1 C8 84.1(4) . . ?
C5 U1 C8 79.2(4) . . ?
O2 U1 C23 76.6(3) . . ?
O1 U1 C23 101.9(3) . . ?
C2 U1 C23 160.6(4) . . ?
C3 U1 C23 169.1(4) . . ?
C6 U1 C23 98.9(4) . . ?
C9 U1 C23 133.0(4) . . ?
C4 U1 C23 140.1(5) . . ?
C5 U1 C23 113.6(4) . . ?
C8 U1 C23 111.8(4) . . ?
O2 U1 C22 75.2(3) . . ?
O1 U1 C22 73.8(3) . . ?
C2 U1 C22 137.8(4) . . ?
C3 U1 C22 150.7(4) . . ?
C6 U1 C22 129.1(4) . . ?
C9 U1 C22 128.2(4) . . ?
C4 U1 C22 151.4(4) . . ?
C5 U1 C22 138.9(4) . . ?
C8 U1 C22 123.8(4) . . ?
C23 U1 C22 30.2(4) . . ?
O2 U1 C7 128.7(4) . . ?
O1 U1 C7 157.0(3) . . ?
C2 U1 C7 79.9(4) . . ?
C3 U1 C7 84.3(4) . . ?
C6 U1 C7 30.5(4) . . ?
C9 U1 C7 58.0(4) . . ?
C4 U1 C7 76.3(4) . . ?
C5 U1 C7 58.1(4) . . ?
C8 U1 C7 30.1(4) . . ?
C23 U1 C7 99.1(4) . . ?
C22 U1 C7 124.1(4) . . ?

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
C9 C2 C3 C4 -11(3) . . . . ?
Si1 C2 C3 C4 176.4(15) . . . . ?
U1 C2 C3 C4 43.6(18) . . . . ?
C9 C2 C3 U1 -54.8(14) . . . . ?
Si1 C2 C3 U1 132.8(9) . . . . ?
C2 C3 C4 C5 2(3) . . . . ?
U1 C3 C4 C5 45.1(17) . . . . ?
C2 C3 C4 U1 -43.6(18) . . . . ?
C3 C4 C5 C6 7(3) . . . . ?
U1 C4 C5 C6 51.3(13) . . . . ?
C3 C4 C5 Si2 -174.1(14) . . . . ?
U1 C4 C5 Si2 -129.5(8) . . . . ?
C3 C4 C5 U1 -44.6(17) . . . . ?
C4 C5 C6 C7 3(3) . . . . ?
Si2 C5 C6 C7 -176.4(13) . . . . ?
U1 C5 C6 C7 54.2(16) . . . . ?
C4 C5 C6 U1 -51.4(13) . . . . ?
Si2 C5 C6 U1 129.4(8) . . . . ?
C5 C6 C7 C8 -10(3) . . . . ?
U1 C6 C7 C8 43.8(16) . . . . ?
C5 C6 C7 U1 -53.9(16) . . . . ?
C6 C7 C8 C9 1(3) . . . . ?
U1 C7 C8 C9 44.2(16) . . . . ?
C6 C7 C8 U1 -43.2(15) . . . . ?
C7 C8 C9 C2 6(3) . . . . ?
U1 C8 C9 C2 50.6(15) . . . . ?
C7 C8 C9 U1 -44.9(16) . . . . ?
C3 C2 C9 C8 3(3) . . . . ?
Si1 C2 C9 C8 176.1(13) . . . . ?
U1 C2 C9 C8 -51.6(16) . . . . ?
C3 C2 C9 U1 55.0(14) . . . . ?
Si1 C2 C9 U1 -132.4(8) . . . . ?
C25 C21 C22 C23 0.0(13) . . . . ?
C20 C21 C22 C23 178.8(12) . . . . ?
U1 C21 C22 C23 -69.0(8) . . . . ?
C25 C21 C22 C19 -171.0(11) . . . . ?
C20 C21 C22 C19 8(2) . . . . ?
U1 C21 C22 C19 120.0(12) . . . . ?
C25 C21 C22 U1 69.0(9) . . . . ?
C20 C21 C22 U1 -112.2(13) . . . . ?
C21 C22 C23 C24 -1.4(13) . . . . ?
C19 C22 C23 C24 169.6(11) . . . . ?
U1 C22 C23 C24 -71.5(9) . . . . ?
C21 C22 C23 C18 -173.1(11) . . . . ?
C19 C22 C23 C18 -2.1(19) . . . . ?
U1 C22 C23 C18 116.8(11) . . . . ?
C21 C22 C23 U1 70.1(9) . . . . ?
C19 C22 C23 U1 -118.9(11) . . . . ?
C22 C23 C24 C25 2.3(14) . . . . ?
C18 C23 C24 C25 173.8(11) . . . . ?
U1 C23 C24 C25 -67.0(9) . . . . ?
C22 C23 C24 C17 -172.1(11) . . . . ?
C18 C23 C24 C17 -1(2) . . . . ?
U1 C23 C24 C17 118.6(12) . . . . ?
C22 C23 C24 U1 69.3(8) . . . . ?
C18 C23 C24 U1 -119.3(12) . . . . ?
C23 C24 C25 C21 -2.3(14) . . . . ?
C17 C24 C25 C21 172.2(11) . . . . ?
U1 C24 C25 C21 -67.9(9) . . . . ?
C23 C24 C25 C16 -172.7(12) . . . . ?
C17 C24 C25 C16 2(2) . . . . ?
U1 C24 C25 C16 121.7(13) . . . . ?
C23 C24 C25 U1 65.7(9) . . . . ?
C17 C24 C25 U1 -119.9(12) . . . . ?
C22 C21 C25 C24 1.4(14) . . . . ?
C20 C21 C25 C24 -177.4(12) . . . . ?
U1 C21 C25 C24 68.9(9) . . . . ?
C22 C21 C25 C16 172.0(12) . . . . ?
C20 C21 C25 C16 -7(2) . . . . ?
U1 C21 C25 C16 -120.4(12) . . . . ?
C22 C21 C25 U1 -67.5(9) . . . . ?
C20 C21 C25 U1 113.7(13) . . . . ?
O1 C1 O2 U1 -170.2(9) 5_656 . . . ?
C1 C1 O2 U1 10.8(16) 5_656 . . . ?
C3 C2 Si1 C10 -148.5(12) . . . . ?
C9 C2 Si1 C10 38.0(13) . . . . ?
U1 C2 Si1 C10 -52.7(12) . . . . ?
C3 C2 Si1 C11 92.1(12) . . . . ?
C9 C2 Si1 C11 -81.4(12) . . . . ?
U1 C2 Si1 C11 -172.1(9) . . . . ?
C3 C2 Si1 C12 -28.4(13) . . . . ?
C9 C2 Si1 C12 158.1(10) . . . . ?
U1 C2 Si1 C12 67.4(11) . . . . ?
C6 C5 Si2 C14 -166.5(10) . . . . ?
C4 C5 Si2 C14 14.2(12) . . . . ?
U1 C5 Si2 C14 -78.5(10) . . . . ?
C6 C5 Si2 C15 -46.4(12) . . . . ?
C4 C5 Si2 C15 134.3(11) . . . . ?
U1 C5 Si2 C15 41.6(11) . . . . ?
C6 C5 Si2 C13 73.3(11) . . . . ?
C4 C5 Si2 C13 -106.0(11) . . . . ?
U1 C5 Si2 C13 161.3(8) . . . . ?

_refine_diff_density_max         1.420
_refine_diff_density_min         -1.259
_refine_diff_density_rms         0.209

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 1000012'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_8

_audit_creation_method           SHELXL-97
_chemical_name_systematic        8
_chemical_name_common            8
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H86 O4 Si4 U2'
_chemical_formula_sum            'C54 H86 O4 Si4 U2'
_chemical_formula_weight         1387.65
_chemical_compound_source        'synthesis as described'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Cmca
_symmetry_space_group_name_Hall  '-C 2bc 2'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'x+1/2, -y, z-1/2'
'-x+1/2, y+1/2, z'

_cell_length_a                   21.741(4)
_cell_length_b                   23.447(5)
_cell_length_c                   10.829(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5520.1(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    1760
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Plate
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2728
_exptl_absorpt_coefficient_mu    5.989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5858
_exptl_absorpt_correction_T_max  0.7957
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32536
_diffrn_reflns_av_R_equivalents  0.1158
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.48
_diffrn_reflns_theta_max         27.47
_reflns_number_total             3237
_reflns_number_gt                2517
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
The CpMe4Et ligand is disordered over two positions due 
to the centrosymmetric space group. Although this disorder
 was modeled successfully it resulted in unstable 
and/or non-converging refinements. As a result a 
model without the disorder has been included and 
therefore the corresponding thermal 
ellipsoids are big thus yielding level A alerts.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0273P)²+69.0175P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3237
_refine_ls_number_parameters     151
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0437
_refine_ls_wR_factor_ref         0.0901
_refine_ls_wR_factor_gt          0.0835
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4653(4) 0.5000 1.0000 0.029(2) Uani 1 2 d S . .
C2 C 0.4678(3) 0.2747(2) 1.1945(6) 0.0351(17) Uani 1 1 d . . .
H2 H 0.4515 0.2521 1.2594 0.042 Uiso 1 1 calc R . .
C3 C 0.4214(4) 0.2997(3) 1.1229(6) 0.0386(18) Uani 1 1 d . A .
H3 H 0.3817 0.2944 1.1578 0.046 Uiso 1 1 calc R . .
C4 C 0.4195(3) 0.3311(3) 1.0105(6) 0.0325(15) Uani 1 1 d . A .
C5 C 0.4673(3) 0.3478(2) 0.9295(5) 0.0229(13) Uani 1 1 d . . .
H5 H 0.4514 0.3632 0.8549 0.028 Uiso 1 1 calc R . .
C6A C 0.3301(7) 0.4121(7) 0.8766(14) 0.053(2) Uani 0.566(11) 1 d PU A 1
H6A1 H 0.3486 0.4435 0.9236 0.079 Uiso 0.566(11) 1 calc PR A 1
H6A2 H 0.2862 0.4198 0.8641 0.079 Uiso 0.566(11) 1 calc PR A 1
H6A3 H 0.3506 0.4089 0.7963 0.079 Uiso 0.566(11) 1 calc PR A 1
C7A C 0.2888(7) 0.3588(7) 1.1152(14) 0.053(2) Uani 0.566(11) 1 d PU A 1
H7A1 H 0.2914 0.3242 1.1658 0.079 Uiso 0.566(11) 1 calc PR A 1
H7A2 H 0.2457 0.3660 1.0933 0.079 Uiso 0.566(11) 1 calc PR A 1
H7A3 H 0.3049 0.3913 1.1619 0.079 Uiso 0.566(11) 1 calc PR A 1
C6B C 0.3451(9) 0.3996(9) 0.8020(19) 0.053(2) Uani 0.434(11) 1 d PU A 2
H6B1 H 0.3737 0.3823 0.7428 0.079 Uiso 0.434(11) 1 calc PR A 2
H6B2 H 0.3602 0.4374 0.8255 0.079 Uiso 0.434(11) 1 calc PR A 2
H6B3 H 0.3044 0.4032 0.7640 0.079 Uiso 0.434(11) 1 calc PR A 2
C7B C 0.2887(9) 0.3805(9) 1.054(2) 0.053(2) Uani 0.434(11) 1 d PU A 2
H7B1 H 0.3077 0.4147 1.0892 0.079 Uiso 0.434(11) 1 calc PR A 2
H7B2 H 0.2773 0.3543 1.1209 0.079 Uiso 0.434(11) 1 calc PR A 2
H7B3 H 0.2517 0.3912 1.0078 0.079 Uiso 0.434(11) 1 calc PR A 2
C8 C 0.3070(4) 0.2827(4) 0.8865(9) 0.063(3) Uani 1 1 d . A .
H8A H 0.2649 0.2901 0.8583 0.094 Uiso 1 1 calc R . .
H8B H 0.3066 0.2517 0.9472 0.094 Uiso 1 1 calc R . .
H8C H 0.3325 0.2717 0.8158 0.094 Uiso 1 1 calc R . .
C9 C 0.5000 0.4678(3) 1.3321(7) 0.034(2) Uani 1 2 d S . .
C10 C 0.5524(5) 0.4344(3) 1.3552(6) 0.054(2) Uani 1 1 d . A .
C11 C 0.5319(6) 0.3806(3) 1.3978(6) 0.089(5) Uani 1 1 d . . .
C12 C 0.5739(9) 0.3353(4) 1.4516(9) 0.168(9) Uani 1 1 d . . .
H12A H 0.6032 0.3235 1.3866 0.202 Uiso 1 1 calc R . .
H12B H 0.5485 0.3016 1.4725 0.202 Uiso 1 1 calc R . .
C14 C 0.6184(5) 0.4550(5) 1.3452(10) 0.097(4) Uani 1 1 d . . .
H14A H 0.6464 0.4238 1.3667 0.146 Uiso 1 1 calc R . .
H14B H 0.6248 0.4870 1.4019 0.146 Uiso 1 1 calc R . .
H14C H 0.6266 0.4675 1.2604 0.146 Uiso 1 1 calc R . .
C15 C 0.5000 0.5304(3) 1.3000(8) 0.033(2) Uani 1 2 d S . .
H15A H 0.5424 0.5434 1.2880 0.049 Uiso 0.50 1 calc PR . .
H15B H 0.4810 0.5521 1.3673 0.049 Uiso 0.50 1 calc PR . .
H15C H 0.4766 0.5364 1.2237 0.049 Uiso 0.50 1 calc PR . .
C13 C 0.6118(11) 0.3526(7) 1.5697(13) 0.197(10) Uani 1 1 d . . .
H13A H 0.6370 0.3201 1.5964 0.296 Uiso 1 1 calc R . .
H13B H 0.5835 0.3634 1.6361 0.296 Uiso 1 1 calc R . .
H13C H 0.6386 0.3849 1.5500 0.296 Uiso 1 1 calc R . .
O1 O 0.4393(2) 0.46327(17) 1.0672(4) 0.0327(11) Uani 1 1 d . A .
Si1 Si 0.33896(10) 0.34813(10) 0.9587(3) 0.0590(7) Uani 1 1 d . . .
U1 U 0.5000 0.385772(12) 1.15304(3) 0.02129(11) Uani 1 2 d S . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 1.261(6) . ?
C1 O1 1.261(6) 4_567 ?
C1 C1 1.507(19) 9_667 ?
C2 C2 1.399(15) 12_655 ?
C2 C3 1.401(10) . ?
C2 U1 2.734(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.423(9) . ?
C3 U1 2.665(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.416(9) . ?
C4 Si1 1.882(7) . ?
C4 U1 2.663(6) . ?
C5 C5 1.420(12) 12_655 ?
C5 U1 2.675(5) . ?
C5 H5 0.9500 . ?
C6A Si1 1.754(15) . ?
C6A H6A1 0.9800 . ?
C6A H6A2 0.9800 . ?
C6A H6A3 0.9800 . ?
C7A Si1 2.031(16) . ?
C7A H7A1 0.9800 . ?
C7A H7A2 0.9800 . ?
C7A H7A3 0.9800 . ?
C6B Si1 2.09(2) . ?
C6B H6B1 0.9800 . ?
C6B H6B2 0.9800 . ?
C6B H6B3 0.9800 . ?
C7B Si1 1.68(2) . ?
C7B H7B1 0.9800 . ?
C7B H7B2 0.9800 . ?
C7B H7B3 0.9800 . ?
C8 Si1 1.858(8) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.405(10) 12_655 ?
C9 C10 1.405(10) . ?
C9 C15 1.509(11) . ?
C9 U1 2.731(8) . ?
C10 C11 1.416(11) . ?
C10 C14 1.517(15) . ?
C10 U1 2.718(7) . ?
C11 C11 1.39(2) 12_655 ?
C11 C12 1.515(13) . ?
C11 U1 2.743(6) . ?
C12 C13 1.574(19) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
O1 U1 2.431(4) . ?
U1 O1 2.431(4) 12_655 ?
U1 C4 2.663(7) 12_655 ?
U1 C3 2.665(7) 12_655 ?
U1 C5 2.675(5) 12_655 ?
U1 C10 2.718(7) 12_655 ?
U1 C2 2.734(6) 12_655 ?

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
O1 C1 O1 126.7(9) . 4_567 ?
O1 C1 C1 116.7(4) . 9_667 ?
O1 C1 C1 116.7(4) 4_567 9_667 ?
C2 C2 C3 136.1(4) 12_655 . ?
C2 C2 U1 75.17(15) 12_655 . ?
C3 C2 U1 72.3(3) . . ?
C2 C2 H2 112.0 12_655 . ?
C3 C2 H2 112.0 . . ?
U1 C2 H2 138.6 . . ?
C2 C3 C4 135.2(7) . . ?
C2 C3 U1 77.7(4) . . ?
C4 C3 U1 74.4(4) . . ?
C2 C3 H3 112.4 . . ?
C4 C3 H3 112.4 . . ?
U1 C3 H3 129.2 . . ?
C5 C4 C3 130.7(7) . . ?
C5 C4 Si1 116.1(5) . . ?
C3 C4 Si1 113.1(5) . . ?
C5 C4 U1 75.1(3) . . ?
C3 C4 U1 74.6(4) . . ?
Si1 C4 U1 133.0(3) . . ?
C4 C5 C5 137.3(4) . 12_655 ?
C4 C5 U1 74.1(3) . . ?
C5 C5 U1 74.61(13) 12_655 . ?
C4 C5 H5 111.4 . . ?
C5 C5 H5 111.4 12_655 . ?
U1 C5 H5 137.7 . . ?
Si1 C6A H6A1 109.5 . . ?
Si1 C6A H6A2 109.5 . . ?
H6A1 C6A H6A2 109.5 . . ?
Si1 C6A H6A3 109.5 . . ?
H6A1 C6A H6A3 109.5 . . ?
H6A2 C6A H6A3 109.5 . . ?
Si1 C7A H7A1 109.5 . . ?
Si1 C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
Si1 C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
Si1 C6B H6B1 109.5 . . ?
Si1 C6B H6B2 109.5 . . ?
H6B1 C6B H6B2 109.5 . . ?
Si1 C6B H6B3 109.5 . . ?
H6B1 C6B H6B3 109.5 . . ?
H6B2 C6B H6B3 109.5 . . ?
Si1 C7B H7B1 109.5 . . ?
Si1 C7B H7B2 109.5 . . ?
H7B1 C7B H7B2 109.5 . . ?
Si1 C7B H7B3 109.5 . . ?
H7B1 C7B H7B3 109.5 . . ?
H7B2 C7B H7B3 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C10 108.5(9) 12_655 . ?
C10 C9 C15 125.7(5) 12_655 . ?
C10 C9 C15 125.7(5) . . ?
C10 C9 U1 74.6(4) 12_655 . ?
C10 C9 U1 74.6(4) . . ?
C15 C9 U1 121.4(5) . . ?
C9 C10 C11 107.4(9) . . ?
C9 C10 C14 125.2(7) . . ?
C11 C10 C14 127.2(9) . . ?
C9 C10 U1 75.5(4) . . ?
C11 C10 U1 75.9(4) . . ?
C14 C10 U1 118.2(6) . . ?
C11 C11 C10 108.3(6) 12_655 . ?
C11 C11 C12 127.0(8) 12_655 . ?
C10 C11 C12 124.1(12) . . ?
C11 C11 U1 75.3(3) 12_655 . ?
C10 C11 U1 74.0(4) . . ?
C12 C11 U1 123.7(5) . . ?
C11 C12 C13 116.6(9) . . ?
C11 C12 H12A 108.1 . . ?
C13 C12 H12A 108.1 . . ?
C11 C12 H12B 108.1 . . ?
C13 C12 H12B 108.1 . . ?
H12A C12 H12B 107.3 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C1 O1 U1 119.2(5) . . ?
C7B Si1 C6A 81.6(9) . . ?
C7B Si1 C8 112.8(8) . . ?
C6A Si1 C8 116.9(6) . . ?
C7B Si1 C4 121.1(7) . . ?
C6A Si1 C4 115.8(6) . . ?
C8 Si1 C4 107.3(4) . . ?
C7B Si1 C7A 23.7(8) . . ?
C6A Si1 C7A 105.0(7) . . ?
C8 Si1 C7A 104.6(6) . . ?
C4 Si1 C7A 106.1(5) . . ?
C7B Si1 C6B 106.3(9) . . ?
C6A Si1 C6B 25.9(7) . . ?
C8 Si1 C6B 99.2(7) . . ?
C4 Si1 C6B 107.8(6) . . ?
C7A Si1 C6B 129.9(7) . . ?
O1 U1 O1 65.8(2) . 12_655 ?
O1 U1 C4 77.39(17) . . ?
O1 U1 C4 119.69(18) 12_655 . ?
O1 U1 C4 119.69(18) . 12_655 ?
O1 U1 C4 77.39(17) 12_655 12_655 ?
C4 U1 C4 82.2(3) . 12_655 ?
O1 U1 C3 99.9(2) . . ?
O1 U1 C3 150.19(18) 12_655 . ?
C4 U1 C3 31.0(2) . . ?
C4 U1 C3 89.2(2) 12_655 . ?
O1 U1 C3 150.19(18) . 12_655 ?
O1 U1 C3 99.9(2) 12_655 12_655 ?
C4 U1 C3 89.2(2) . 12_655 ?
C4 U1 C3 31.0(2) 12_655 12_655 ?
C3 U1 C3 79.8(3) . 12_655 ?
O1 U1 C5 92.69(16) . 12_655 ?
O1 U1 C5 76.04(16) 12_655 12_655 ?
C4 U1 C5 59.3(2) . 12_655 ?
C4 U1 C5 30.76(19) 12_655 12_655 ?
C3 U1 C5 78.89(19) . 12_655 ?
C3 U1 C5 57.79(19) 12_655 12_655 ?
O1 U1 C5 76.04(16) . . ?
O1 U1 C5 92.69(16) 12_655 . ?
C4 U1 C5 30.76(19) . . ?
C4 U1 C5 59.3(2) 12_655 . ?
C3 U1 C5 57.79(19) . . ?
C3 U1 C5 78.89(19) 12_655 . ?
C5 U1 C5 30.8(3) 12_655 . ?
O1 U1 C10 102.84(18) . . ?
O1 U1 C10 76.5(2) 12_655 . ?
C4 U1 C10 160.8(3) . . ?
C4 U1 C10 113.2(2) 12_655 . ?
C3 U1 C10 133.2(2) . . ?
C3 U1 C10 98.5(2) 12_655 . ?
C5 U1 C10 139.2(3) 12_655 . ?
C5 U1 C10 168.4(2) . . ?
O1 U1 C10 76.5(2) . 12_655 ?
O1 U1 C10 102.84(18) 12_655 12_655 ?
C4 U1 C10 113.2(2) . 12_655 ?
C4 U1 C10 160.8(3) 12_655 12_655 ?
C3 U1 C10 98.5(2) . 12_655 ?
C3 U1 C10 133.2(2) 12_655 12_655 ?
C5 U1 C10 168.4(2) 12_655 12_655 ?
C5 U1 C10 139.2(3) . 12_655 ?
C10 U1 C10 49.6(4) . 12_655 ?
O1 U1 C9 75.24(17) . . ?
O1 U1 C9 75.24(17) 12_655 . ?
C4 U1 C9 138.67(14) . . ?
C4 U1 C9 138.67(14) 12_655 . ?
C3 U1 C9 128.33(17) . . ?
C3 U1 C9 128.33(17) 12_655 . ?
C5 U1 C9 151.28(19) 12_655 . ?
C5 U1 C9 151.28(19) . . ?
C10 U1 C9 29.89(19) . . ?
C10 U1 C9 29.89(19) 12_655 . ?
O1 U1 C2 156.06(17) . 12_655 ?
O1 U1 C2 129.50(19) 12_655 12_655 ?
C4 U1 C2 78.72(19) . 12_655 ?
C4 U1 C2 57.9(2) 12_655 12_655 ?
C3 U1 C2 57.5(2) . 12_655 ?
C3 U1 C2 30.1(2) 12_655 12_655 ?
C5 U1 C2 76.33(17) 12_655 12_655 ?
C5 U1 C2 84.23(17) . 12_655 ?
C10 U1 C2 99.2(2) . 12_655 ?
C10 U1 C2 112.0(2) 12_655 12_655 ?
C9 U1 C2 123.6(2) . 12_655 ?

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
C2 C2 C3 C4 8.5(11) 12_655 . . . ?
U1 C2 C3 C4 52.4(7) . . . . ?
C2 C2 C3 U1 -43.9(4) 12_655 . . . ?
C2 C3 C4 C5 0.5(12) . . . . ?
U1 C3 C4 C5 53.9(6) . . . . ?
C2 C3 C4 Si1 175.9(6) . . . . ?
U1 C3 C4 Si1 -130.6(4) . . . . ?
C2 C3 C4 U1 -53.5(7) . . . . ?
C3 C4 C5 C5 -9.3(10) . . . 12_655 ?
Si1 C4 C5 C5 175.36(17) . . . 12_655 ?
U1 C4 C5 C5 44.4(4) . . . 12_655 ?
C3 C4 C5 U1 -53.7(6) . . . . ?
Si1 C4 C5 U1 130.9(4) . . . . ?
C10 C9 C10 C11 -2.4(9) 12_655 . . . ?
C15 C9 C10 C11 172.2(7) . . . . ?
U1 C9 C10 C11 -69.9(4) . . . . ?
C10 C9 C10 C14 -178.0(5) 12_655 . . . ?
C15 C9 C10 C14 -3.4(13) . . . . ?
U1 C9 C10 C14 114.5(8) . . . . ?
C10 C9 C10 U1 67.5(6) 12_655 . . . ?
C15 C9 C10 U1 -117.9(8) . . . . ?
C9 C10 C11 C11 1.5(6) . . . 12_655 ?
C14 C10 C11 C11 176.9(7) . . . 12_655 ?
U1 C10 C11 C11 -68.1(2) . . . 12_655 ?
C9 C10 C11 C12 -170.2(8) . . . . ?
C14 C10 C11 C12 5.3(12) . . . . ?
U1 C10 C11 C12 120.2(8) . . . . ?
C9 C10 C11 U1 69.6(5) . . . . ?
C14 C10 C11 U1 -114.9(8) . . . . ?
C11 C11 C12 C13 -110.9(14) 12_655 . . . ?
C10 C11 C12 C13 59.2(18) . . . . ?
U1 C11 C12 C13 152.1(12) . . . . ?
O1 C1 O1 U1 167.4(3) 4_567 . . . ?
C1 C1 O1 U1 -12.6(3) 9_667 . . . ?
C5 C4 Si1 C7B -131.0(10) . . . . ?
C3 C4 Si1 C7B 52.8(10) . . . . ?
U1 C4 Si1 C7B -37.3(11) . . . . ?
C5 C4 Si1 C6A -35.1(8) . . . . ?
C3 C4 Si1 C6A 148.7(7) . . . . ?
U1 C4 Si1 C6A 58.6(8) . . . . ?
C5 C4 Si1 C8 97.5(5) . . . . ?
C3 C4 Si1 C8 -78.6(6) . . . . ?
U1 C4 Si1 C8 -168.8(5) . . . . ?
C5 C4 Si1 C7A -151.1(7) . . . . ?
C3 C4 Si1 C7A 32.7(7) . . . . ?
U1 C4 Si1 C7A -57.4(7) . . . . ?
C5 C4 Si1 C6B -8.5(8) . . . . ?
C3 C4 Si1 C6B 175.3(7) . . . . ?
U1 C4 Si1 C6B 85.2(8) . . . . ?
C1 O1 U1 O1 13.4(4) . . . 12_655 ?
C1 O1 U1 C4 -117.7(3) . . . . ?
C1 O1 U1 C4 -44.5(4) . . . 12_655 ?
C1 O1 U1 C3 -139.2(3) . . . . ?
C1 O1 U1 C3 -52.5(5) . . . 12_655 ?
C1 O1 U1 C5 -60.0(3) . . . 12_655 ?
C1 O1 U1 C5 -86.1(3) . . . . ?
C1 O1 U1 C10 82.0(4) . . . . ?
C1 O1 U1 C10 124.4(4) . . . 12_655 ?
C1 O1 U1 C9 93.6(3) . . . . ?
C1 O1 U1 C2 -121.5(5) . . . 12_655 ?
C5 C4 U1 O1 83.8(4) . . . . ?
C3 C4 U1 O1 -135.5(4) . . . . ?
Si1 C4 U1 O1 -28.1(4) . . . . ?
C5 C4 U1 O1 31.5(4) . . . 12_655 ?
C3 C4 U1 O1 172.2(4) . . . 12_655 ?
Si1 C4 U1 O1 -80.4(5) . . . 12_655 ?
C5 C4 U1 C4 -39.1(4) . . . 12_655 ?
C3 C4 U1 C4 101.6(4) . . . 12_655 ?
Si1 C4 U1 C4 -151.0(3) . . . 12_655 ?
C5 C4 U1 C3 -140.7(6) . . . . ?
Si1 C4 U1 C3 107.4(7) . . . . ?
C5 C4 U1 C3 -69.4(4) . . . 12_655 ?
C3 C4 U1 C3 71.3(5) . . . 12_655 ?
Si1 C4 U1 C3 178.7(5) . . . 12_655 ?
C5 C4 U1 C5 -17.1(2) . . . 12_655 ?
C3 C4 U1 C5 123.6(5) . . . 12_655 ?
Si1 C4 U1 C5 -129.0(5) . . . 12_655 ?
C3 C4 U1 C5 140.7(6) . . . . ?
Si1 C4 U1 C5 -112.0(6) . . . . ?
C5 C4 U1 C10 176.7(5) . . . . ?
C3 C4 U1 C10 -42.7(8) . . . . ?
Si1 C4 U1 C10 64.7(8) . . . . ?
C5 C4 U1 C10 153.0(4) . . . 12_655 ?
C3 C4 U1 C10 -66.3(4) . . . 12_655 ?
Si1 C4 U1 C10 41.0(5) . . . 12_655 ?
C5 C4 U1 C9 133.3(4) . . . . ?
C3 C4 U1 C9 -86.0(5) . . . . ?
Si1 C4 U1 C9 21.3(7) . . . . ?
C5 C4 U1 C2 -97.7(4) . . . 12_655 ?
C3 C4 U1 C2 42.9(4) . . . 12_655 ?
Si1 C4 U1 C2 150.3(5) . . . 12_655 ?
C2 C3 U1 O1 -171.4(4) . . . . ?
C4 C3 U1 O1 44.0(4) . . . . ?
C2 C3 U1 O1 130.9(4) . . . 12_655 ?
C4 C3 U1 O1 -13.7(7) . . . 12_655 ?
C2 C3 U1 C4 144.6(6) . . . . ?
C2 C3 U1 C4 68.5(4) . . . 12_655 ?
C4 C3 U1 C4 -76.1(5) . . . 12_655 ?
C2 C3 U1 C3 38.8(4) . . . 12_655 ?
C4 C3 U1 C3 -105.8(4) . . . 12_655 ?
C2 C3 U1 C5 97.7(4) . . . 12_655 ?
C4 C3 U1 C5 -46.9(4) . . . 12_655 ?
C2 C3 U1 C5 122.1(4) . . . . ?
C4 C3 U1 C5 -22.5(4) . . . . ?
C2 C3 U1 C10 -53.2(5) . . . . ?
C4 C3 U1 C10 162.2(4) . . . . ?
C2 C3 U1 C10 -93.8(4) . . . 12_655 ?
C4 C3 U1 C10 121.6(4) . . . 12_655 ?
C2 C3 U1 C9 -92.5(4) . . . . ?
C4 C3 U1 C9 122.9(4) . . . . ?
C2 C3 U1 C2 17.0(3) . . . 12_655 ?
C4 C3 U1 C2 -127.6(5) . . . 12_655 ?
C4 C5 U1 O1 -88.7(4) . . . . ?
C5 C5 U1 O1 120.79(12) 12_655 . . . ?
C4 C5 U1 O1 -152.9(4) . . . 12_655 ?
C5 C5 U1 O1 56.58(11) 12_655 . . 12_655 ?
C5 C5 U1 C4 -150.5(3) 12_655 . . . ?
C4 C5 U1 C4 133.4(5) . . . 12_655 ?
C5 C5 U1 C4 -17.04(19) 12_655 . . 12_655 ?
C4 C5 U1 C3 22.7(4) . . . . ?
C5 C5 U1 C3 -127.8(2) 12_655 . . . ?
C4 C5 U1 C3 107.5(4) . . . 12_655 ?
C5 C5 U1 C3 -42.95(18) 12_655 . . 12_655 ?
C4 C5 U1 C5 150.5(3) . . . 12_655 ?
C4 C5 U1 C10 -174.6(9) . . . . ?
C5 C5 U1 C10 34.9(10) 12_655 . . . ?
C4 C5 U1 C10 -39.7(5) . . . 12_655 ?
C5 C5 U1 C10 169.8(3) 12_655 . . 12_655 ?
C4 C5 U1 C9 -89.4(4) . . . . ?
C5 C5 U1 C9 120.1(3) 12_655 . . . ?
C4 C5 U1 C2 77.6(4) . . . 12_655 ?
C5 C5 U1 C2 -72.87(16) 12_655 . . 12_655 ?
C9 C10 U1 O1 23.0(5) . . . . ?
C11 C10 U1 O1 135.5(6) . . . . ?
C14 C10 U1 O1 -99.6(6) . . . . ?
C9 C10 U1 O1 83.8(5) . . . 12_655 ?
C11 C10 U1 O1 -163.7(6) . . . 12_655 ?
C14 C10 U1 O1 -38.7(6) . . . 12_655 ?
C9 C10 U1 C4 -65.5(8) . . . . ?
C11 C10 U1 C4 47.0(9) . . . . ?
C14 C10 U1 C4 172.0(6) . . . . ?
C9 C10 U1 C4 153.5(4) . . . 12_655 ?
C11 C10 U1 C4 -94.0(6) . . . 12_655 ?
C14 C10 U1 C4 31.0(7) . . . 12_655 ?
C9 C10 U1 C3 -94.1(5) . . . . ?
C11 C10 U1 C3 18.4(7) . . . . ?
C14 C10 U1 C3 143.4(6) . . . . ?
C9 C10 U1 C3 -178.0(5) . . . 12_655 ?
C11 C10 U1 C3 -65.5(6) . . . 12_655 ?
C14 C10 U1 C3 59.4(6) . . . 12_655 ?
C9 C10 U1 C5 132.7(4) . . . 12_655 ?
C11 C10 U1 C5 -114.8(6) . . . 12_655 ?
C14 C10 U1 C5 10.2(8) . . . 12_655 ?
C9 C10 U1 C5 106.0(11) . . . . ?
C11 C10 U1 C5 -141.4(9) . . . . ?
C14 C10 U1 C5 -16.5(14) . . . . ?
C9 C10 U1 C10 -36.5(5) . . . 12_655 ?
C11 C10 U1 C10 76.0(6) . . . 12_655 ?
C14 C10 U1 C10 -159.0(6) . . . 12_655 ?
C11 C10 U1 C9 112.5(8) . . . . ?
C14 C10 U1 C9 -122.5(8) . . . . ?
C9 C10 U1 C2 -147.6(5) . . . 12_655 ?
C11 C10 U1 C2 -35.1(6) . . . 12_655 ?
C14 C10 U1 C2 89.9(6) . . . 12_655 ?
C10 C9 U1 O1 88.5(5) 12_655 . . . ?
C10 C9 U1 O1 -156.8(5) . . . . ?
C15 C9 U1 O1 -34.16(12) . . . . ?
C10 C9 U1 O1 156.8(5) 12_655 . . 12_655 ?
C10 C9 U1 O1 -88.5(5) . . . 12_655 ?
C15 C9 U1 O1 34.16(12) . . . 12_655 ?
C10 C9 U1 C4 38.4(6) 12_655 . . . ?
C10 C9 U1 C4 153.0(5) . . . . ?
C15 C9 U1 C4 -84.3(3) . . . . ?
C10 C9 U1 C4 -153.0(5) 12_655 . . 12_655 ?
C10 C9 U1 C4 -38.4(6) . . . 12_655 ?
C15 C9 U1 C4 84.3(3) . . . 12_655 ?
C10 C9 U1 C3 -2.5(6) 12_655 . . . ?
C10 C9 U1 C3 112.2(5) . . . . ?
C15 C9 U1 C3 -125.2(2) . . . . ?
C10 C9 U1 C3 -112.2(5) 12_655 . . 12_655 ?
C10 C9 U1 C3 2.5(6) . . . 12_655 ?
C15 C9 U1 C3 125.2(2) . . . 12_655 ?
C10 C9 U1 C5 156.2(5) 12_655 . . 12_655 ?
C10 C9 U1 C5 -89.2(6) . . . 12_655 ?
C15 C9 U1 C5 33.5(3) . . . 12_655 ?
C10 C9 U1 C5 89.2(6) 12_655 . . . ?
C10 C9 U1 C5 -156.2(5) . . . . ?
C15 C9 U1 C5 -33.5(3) . . . . ?
C10 C9 U1 C10 -114.6(9) 12_655 . . . ?
C15 C9 U1 C10 122.7(5) . . . . ?
C10 C9 U1 C10 114.6(9) . . . 12_655 ?
C15 C9 U1 C10 -122.7(5) . . . 12_655 ?
C10 C9 U1 C2 -75.2(5) 12_655 . . 12_655 ?
C10 C9 U1 C2 39.4(5) . . . 12_655 ?
C15 C9 U1 C2 162.10(19) . . . 12_655 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.077
_refine_diff_density_min         -1.564
_refine_diff_density_rms         0.166
_database_code_depnum_ccdc_archive 'CCDC 1000013'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_9

_audit_creation_method           SHELXL-97
_chemical_name_systematic        9

_chemical_name_common            9
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H43 O2 Si2 U'
_chemical_formula_sum            'C27 H43 O2 Si2 U'
_chemical_formula_weight         693.82
_chemical_compound_source        'synthesis as described'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/n
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.917(3)
_cell_length_b                   13.555(3)
_cell_length_c                   16.582(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.86(3)
_cell_angle_gamma                90.00
_cell_volume                     2851.2(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    40447
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Plate
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1364
_exptl_absorpt_coefficient_mu    5.797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6542
_exptl_absorpt_correction_T_max  0.9443
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21813
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0537
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.26
_diffrn_reflns_theta_max         27.48
_reflns_number_total             6452
_reflns_number_gt                4774
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
;
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
;
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0445P)²+16.5772P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6452
_refine_ls_number_parameters     293
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0452
_refine_ls_wR_factor_ref         0.1103
_refine_ls_wR_factor_gt          0.0970
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0466(6) 0.9940(6) -0.0193(5) 0.045(2) Uani 1 1 d . . .
C2 C 0.0568(6) 0.9023(5) 0.2560(4) 0.0358(16) Uani 1 1 d . . .
C3 C 0.0595(7) 0.7989(5) 0.2709(5) 0.0408(18) Uani 1 1 d . . .
H3 H 0.0037 0.7778 0.2968 0.049 Uiso 1 1 calc R . .
C4 C 0.1245(7) 0.7206(6) 0.2566(5) 0.046(2) Uani 1 1 d . . .
H4 H 0.1039 0.6600 0.2775 0.056 Uiso 1 1 calc R . .
C5 C 0.2110(6) 0.7096(5) 0.2197(5) 0.0390(18) Uani 1 1 d . . .
H5 H 0.2377 0.6442 0.2252 0.047 Uiso 1 1 calc R . .
C6 C 0.2704(6) 0.7703(5) 0.1758(5) 0.0378(17) Uani 1 1 d . . .
H6 H 0.3205 0.7336 0.1529 0.045 Uiso 1 1 calc R . .
C7 C 0.2735(6) 0.8722(5) 0.1577(5) 0.0352(16) Uani 1 1 d . . .
C8 C 0.2126(5) 0.9514(5) 0.1801(4) 0.0347(16) Uani 1 1 d . . .
H8 H 0.2368 1.0132 0.1640 0.042 Uiso 1 1 calc R . .
C9 C 0.1249(6) 0.9632(5) 0.2204(4) 0.0342(16) Uani 1 1 d . . .
H9 H 0.1074 1.0309 0.2244 0.041 Uiso 1 1 calc R . .
C10 C -0.1274(9) 1.0559(8) 0.2239(7) 0.077(3) Uani 1 1 d . . .
H10A H -0.0817 1.1000 0.1994 0.116 Uiso 1 1 calc R . .
H10B H -0.1742 1.0952 0.2513 0.116 Uiso 1 1 calc R . .
H10C H -0.1697 1.0157 0.1807 0.116 Uiso 1 1 calc R . .
C11 C 0.0285(8) 1.0513(8) 0.3847(6) 0.070(3) Uani 1 1 d . . .
H11A H 0.0768 1.0953 0.3629 0.104 Uiso 1 1 calc R . .
H11B H 0.0689 1.0085 0.4269 0.104 Uiso 1 1 calc R . .
H11C H -0.0215 1.0907 0.4089 0.104 Uiso 1 1 calc R . .
C12 C -0.1338(8) 0.8929(7) 0.3455(7) 0.069(3) Uani 1 1 d . . .
H12A H -0.0917 0.8487 0.3857 0.104 Uiso 1 1 calc R . .
H12B H -0.1768 0.8536 0.3021 0.104 Uiso 1 1 calc R . .
H12C H -0.1799 0.9332 0.3729 0.104 Uiso 1 1 calc R . .
C13 C 0.3624(7) 1.0322(6) 0.0547(6) 0.061(3) Uani 1 1 d . . .
H13A H 0.3618 1.0794 0.0994 0.092 Uiso 1 1 calc R . .
H13B H 0.2958 1.0367 0.0152 0.092 Uiso 1 1 calc R . .
H13C H 0.4212 1.0474 0.0270 0.092 Uiso 1 1 calc R . .
C14 C 0.3782(8) 0.8191(6) 0.0094(6) 0.057(2) Uani 1 1 d . . .
H14A H 0.4336 0.8387 -0.0205 0.086 Uiso 1 1 calc R . .
H14B H 0.3096 0.8219 -0.0277 0.086 Uiso 1 1 calc R . .
H14C H 0.3915 0.7516 0.0300 0.086 Uiso 1 1 calc R . .
C15 C 0.5069(7) 0.8931(10) 0.1699(7) 0.084(4) Uani 1 1 d . . .
H15A H 0.5081 0.9381 0.2163 0.126 Uiso 1 1 calc R . .
H15B H 0.5644 0.9100 0.1413 0.126 Uiso 1 1 calc R . .
H15C H 0.5158 0.8251 0.1900 0.126 Uiso 1 1 calc R . .
C16 C -0.0453(6) 0.7342(5) -0.0258(4) 0.0345(16) Uani 1 1 d . . .
C17 C -0.1018(6) 0.7111(5) 0.0367(5) 0.0364(17) Uani 1 1 d . . .
C18 C -0.0424(6) 0.6410(5) 0.0901(5) 0.0410(18) Uani 1 1 d . A .
C19 C 0.0516(6) 0.6214(5) 0.0591(5) 0.0423(19) Uani 1 1 d . . .
C20 C 0.0501(6) 0.6796(5) -0.0114(5) 0.0394(17) Uani 1 1 d . A .
C21 C -0.2933(7) 0.6721(8) -0.0055(8) 0.076(3) Uani 1 1 d . . .
H21A H -0.3646 0.6958 -0.0043 0.114 Uiso 1 1 calc R . .
H21B H -0.2823 0.6082 0.0226 0.114 Uiso 1 1 calc R . .
H21C H -0.2845 0.6644 -0.0626 0.114 Uiso 1 1 calc R . .
C22 C -0.2119(6) 0.7472(7) 0.0385(6) 0.056(2) Uani 1 1 d . . .
H22 H -0.2220 0.8090 0.0050 0.067 Uiso 1 1 calc R . .
C23 C -0.2343(9) 0.7733(10) 0.1218(8) 0.090(4) Uani 1 1 d . . .
H23A H -0.3073 0.7963 0.1161 0.135 Uiso 1 1 calc R . .
H23B H -0.1862 0.8256 0.1463 0.135 Uiso 1 1 calc R . .
H23C H -0.2242 0.7148 0.1573 0.135 Uiso 1 1 calc R . .
C24 C -0.0749(9) 0.5843(7) 0.1591(6) 0.073(3) Uani 1 1 d . . .
H24A H -0.1417 0.6106 0.1698 0.109 Uiso 1 1 calc R A .
H24B H -0.0204 0.5909 0.2087 0.109 Uiso 1 1 calc R . .
H24C H -0.0837 0.5145 0.1439 0.109 Uiso 1 1 calc R . .
C25A C 0.093(4) 0.543(3) 0.109(3) 0.047(4) Uani 0.24(3) 1 d PU A 1
H25A H 0.1594 0.5214 0.0938 0.071 Uiso 0.24(3) 1 calc PR A 1
H25B H 0.0428 0.4880 0.1015 0.071 Uiso 0.24(3) 1 calc PR A 1
H25C H 0.1065 0.5638 0.1665 0.071 Uiso 0.24(3) 1 calc PR A 1
C25B C 0.1344(14) 0.5393(8) 0.0826(10) 0.047(4) Uani 0.76(3) 1 d PU A 2
H25D H 0.1895 0.5461 0.0497 0.071 Uiso 0.76(3) 1 calc PR A 2
H25E H 0.1004 0.4747 0.0721 0.071 Uiso 0.76(3) 1 calc PR A 2
H25F H 0.1659 0.5449 0.1410 0.071 Uiso 0.76(3) 1 calc PR A 2
C26 C 0.1291(7) 0.6773(7) -0.0672(7) 0.066(3) Uani 1 1 d . . .
H26A H 0.1093 0.7259 -0.1112 0.099 Uiso 1 1 calc R A .
H26B H 0.1304 0.6113 -0.0911 0.099 Uiso 1 1 calc R . .
H26C H 0.1992 0.6933 -0.0357 0.099 Uiso 1 1 calc R . .
C27 C -0.0864(7) 0.7945(7) -0.1007(5) 0.055(2) Uani 1 1 d . . .
H27A H -0.0321 0.7996 -0.1345 0.083 Uiso 1 1 calc R . .
H27B H -0.1047 0.8607 -0.0840 0.083 Uiso 1 1 calc R . .
H27C H -0.1493 0.7628 -0.1323 0.083 Uiso 1 1 calc R . .
O1 O 0.1053(4) 0.9166(4) -0.0027(3) 0.0416(12) Uani 1 1 d . . .
O2 O -0.0611(5) 0.9392(4) 0.0655(4) 0.0547(15) Uani 1 1 d . . .
Si1 Si 0.37843(17) 0.90486(16) 0.09746(15) 0.0437(5) Uani 1 1 d . . .
Si2 Si -0.04506(19) 0.97417(16) 0.29999(15) 0.0444(5) Uani 1 1 d . . .
U1 U 0.07179(2) 0.815979(17) 0.111741(15) 0.02849(9) Uani 1 1 d . A .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O2 1.222(10) 3_575 ?
C1 O1 1.294(10) . ?
C1 C1 1.476(16) 3_575 ?
C2 C9 1.414(10) . ?
C2 C3 1.422(9) . ?
C2 Si2 1.890(8) . ?
C2 U1 2.702(7) . ?
C3 C4 1.401(11) . ?
C3 U1 2.683(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(12) . ?
C4 U1 2.699(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.417(11) . ?
C5 U1 2.703(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.415(10) . ?
C6 U1 2.659(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.421(9) . ?
C7 Si1 1.881(8) . ?
C7 U1 2.683(7) . ?
C8 C9 1.429(10) . ?
C8 U1 2.681(7) . ?
C8 H8 0.9500 . ?
C9 U1 2.689(7) . ?
C9 H9 0.9500 . ?
C10 Si2 1.856(10) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si2 1.862(10) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si2 1.850(9) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si1 1.863(9) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 Si1 1.867(8) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 Si1 1.863(10) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.410(11) . ?
C16 C20 1.419(10) . ?
C16 C27 1.498(10) . ?
C16 U1 2.723(7) . ?
C17 C18 1.421(11) . ?
C17 C22 1.509(11) . ?
C17 U1 2.747(7) . ?
C18 C19 1.429(11) . ?
C18 C24 1.503(11) . ?
C18 U1 2.780(7) . ?
C19 C25A 1.39(5) . ?
C19 C20 1.408(11) . ?
C19 C25B 1.542(15) . ?
C19 U1 2.775(7) . ?
C20 C26 1.502(12) . ?
C20 U1 2.729(7) . ?
C21 C22 1.544(12) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.507(14) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
O1 U1 2.441(5) . ?
O2 C1 1.222(10) 3_575 ?
O2 U1 2.414(5) . ?

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
O2 C1 O1 125.5(8) 3_575 . ?
O2 C1 C1 115.2(10) 3_575 3_575 ?
O1 C1 C1 119.3(10) . 3_575 ?
C9 C2 C3 130.6(7) . . ?
C9 C2 Si2 113.1(5) . . ?
C3 C2 Si2 115.9(6) . . ?
C9 C2 U1 74.3(4) . . ?
C3 C2 U1 74.0(4) . . ?
Si2 C2 U1 137.4(4) . . ?
C4 C3 C2 135.5(8) . . ?
C4 C3 U1 75.5(4) . . ?
C2 C3 U1 75.4(4) . . ?
C4 C3 H3 112.3 . . ?
C2 C3 H3 112.3 . . ?
U1 C3 H3 131.4 . . ?
C5 C4 C3 136.0(8) . . ?
C5 C4 U1 75.3(4) . . ?
C3 C4 U1 74.3(4) . . ?
C5 C4 H4 112.0 . . ?
C3 C4 H4 112.0 . . ?
U1 C4 H4 134.3 . . ?
C4 C5 C6 136.7(7) . . ?
C4 C5 U1 75.1(4) . . ?
C6 C5 U1 73.0(4) . . ?
C4 C5 H5 111.7 . . ?
C6 C5 H5 111.7 . . ?
U1 C5 H5 138.2 . . ?
C7 C6 C5 135.6(7) . . ?
C7 C6 U1 75.6(4) . . ?
C5 C6 U1 76.4(4) . . ?
C7 C6 H6 112.2 . . ?
C5 C6 H6 112.2 . . ?
U1 C6 H6 129.9 . . ?
C6 C7 C8 130.0(7) . . ?
C6 C7 Si1 113.2(5) . . ?
C8 C7 Si1 116.8(5) . . ?
C6 C7 U1 73.7(4) . . ?
C8 C7 U1 74.5(4) . . ?
Si1 C7 U1 132.4(3) . . ?
C7 C8 C9 137.2(7) . . ?
C7 C8 U1 74.8(4) . . ?
C9 C8 U1 74.9(4) . . ?
C7 C8 H8 111.4 . . ?
C9 C8 H8 111.4 . . ?
U1 C8 H8 135.8 . . ?
C2 C9 C8 137.8(7) . . ?
C2 C9 U1 75.3(4) . . ?
C8 C9 U1 74.2(4) . . ?
C2 C9 H9 111.1 . . ?
C8 C9 H9 111.1 . . ?
U1 C9 H9 136.8 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C20 108.3(7) . . ?
C17 C16 C27 125.3(7) . . ?
C20 C16 C27 125.8(8) . . ?
C17 C16 U1 76.0(4) . . ?
C20 C16 U1 75.1(4) . . ?
C27 C16 U1 121.7(5) . . ?
C16 C17 C18 108.2(7) . . ?
C16 C17 C22 124.3(7) . . ?
C18 C17 C22 127.2(7) . . ?
C16 C17 U1 74.1(4) . . ?
C18 C17 U1 76.4(4) . . ?
C22 C17 U1 121.0(5) . . ?
C17 C18 C19 107.2(7) . . ?
C17 C18 C24 128.4(8) . . ?
C19 C18 C24 123.8(8) . . ?
C17 C18 U1 73.8(4) . . ?
C19 C18 U1 74.9(4) . . ?
C24 C18 U1 123.7(6) . . ?
C25A C19 C20 150(3) . . ?
C25A C19 C18 101(3) . . ?
C20 C19 C18 108.3(6) . . ?
C25A C19 C25B 29(2) . . ?
C20 C19 C25B 121.0(11) . . ?
C18 C19 C25B 129.8(11) . . ?
C25A C19 U1 122.5(18) . . ?
C20 C19 U1 73.4(4) . . ?
C18 C19 U1 75.3(4) . . ?
C25B C19 U1 125.9(6) . . ?
C19 C20 C16 107.9(7) . . ?
C19 C20 C26 126.6(8) . . ?
C16 C20 C26 125.2(8) . . ?
C19 C20 U1 77.0(4) . . ?
C16 C20 U1 74.7(4) . . ?
C26 C20 U1 119.3(5) . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C17 116.0(8) . . ?
C23 C22 C21 110.9(9) . . ?
C17 C22 C21 109.7(7) . . ?
C23 C22 H22 106.5 . . ?
C17 C22 H22 106.5 . . ?
C21 C22 H22 106.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C18 C24 H24A 109.5 . . ?
C18 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C18 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C19 C25A H25A 109.5 . . ?
C19 C25A H25B 109.5 . . ?
H25A C25A H25B 109.5 . . ?
C19 C25A H25C 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C19 C25B H25D 109.5 . . ?
C19 C25B H25E 109.5 . . ?
H25D C25B H25E 109.5 . . ?
C19 C25B H25F 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C20 C26 H26A 109.5 . . ?
C20 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C20 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C16 C27 H27A 109.5 . . ?
C16 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C16 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C1 O1 U1 115.9(5) . . ?
C1 O2 U1 121.8(6) 3_575 . ?
C15 Si1 C13 110.3(5) . . ?
C15 Si1 C14 108.7(5) . . ?
C13 Si1 C14 107.2(4) . . ?
C15 Si1 C7 106.3(5) . . ?
C13 Si1 C7 112.4(4) . . ?
C14 Si1 C7 112.0(4) . . ?
C12 Si2 C11 107.1(5) . . ?
C12 Si2 C10 108.3(5) . . ?
C11 Si2 C10 108.9(5) . . ?
C12 Si2 C2 112.3(4) . . ?
C11 Si2 C2 106.7(4) . . ?
C10 Si2 C2 113.3(4) . . ?
O2 U1 O1 65.6(2) . . ?
O2 U1 C6 149.6(2) . . ?
O1 U1 C6 98.1(2) . . ?
O2 U1 C8 92.6(2) . . ?
O1 U1 C8 75.0(2) . . ?
C6 U1 C8 57.5(2) . . ?
O2 U1 C3 101.6(2) . . ?
O1 U1 C3 149.9(2) . . ?
C6 U1 C3 79.5(3) . . ?
C8 U1 C3 78.7(2) . . ?
O2 U1 C7 119.2(2) . . ?
O1 U1 C7 75.9(2) . . ?
C6 U1 C7 30.7(2) . . ?
C8 U1 C7 30.7(2) . . ?
C3 U1 C7 88.8(2) . . ?
O2 U1 C9 77.0(2) . . ?
O1 U1 C9 92.65(19) . . ?
C6 U1 C9 78.5(2) . . ?
C8 U1 C9 30.9(2) . . ?
C3 U1 C9 57.3(2) . . ?
C7 U1 C9 59.2(2) . . ?
O2 U1 C4 131.2(2) . . ?
O1 U1 C4 155.1(2) . . ?
C6 U1 C4 58.0(3) . . ?
C8 U1 C4 85.1(2) . . ?
C3 U1 C4 30.2(2) . . ?
C7 U1 C4 79.3(3) . . ?
C9 U1 C4 76.7(2) . . ?
O2 U1 C2 79.4(2) . . ?
O1 U1 C2 119.94(19) . . ?
C6 U1 C2 88.4(2) . . ?
C8 U1 C2 59.0(2) . . ?
C3 U1 C2 30.6(2) . . ?
C7 U1 C2 81.6(2) . . ?
C9 U1 C2 30.4(2) . . ?
C4 U1 C2 57.8(2) . . ?
O2 U1 C5 157.5(2) . . ?
O1 U1 C5 128.3(2) . . ?
C6 U1 C5 30.6(2) . . ?
C8 U1 C5 76.8(2) . . ?
C3 U1 C5 57.2(2) . . ?
C7 U1 C5 58.3(2) . . ?
C9 U1 C5 84.2(2) . . ?
C4 U1 C5 29.6(3) . . ?
C2 U1 C5 78.1(2) . . ?
O2 U1 C16 76.5(2) . . ?
O1 U1 C16 74.25(19) . . ?
C6 U1 C16 125.6(2) . . ?
C8 U1 C16 149.1(2) . . ?
C3 U1 C16 131.4(2) . . ?
C7 U1 C16 135.2(2) . . ?
C9 U1 C16 153.4(2) . . ?
C4 U1 C16 123.9(2) . . ?
C2 U1 C16 142.8(2) . . ?
C5 U1 C16 122.2(2) . . ?
O2 U1 C20 105.4(2) . . ?
O1 U1 C20 78.8(2) . . ?
C6 U1 C20 95.5(2) . . ?
C8 U1 C20 138.2(2) . . ?
C3 U1 C20 131.3(2) . . ?
C7 U1 C20 111.2(2) . . ?
C9 U1 C20 168.8(2) . . ?
C4 U1 C20 108.3(2) . . ?
C2 U1 C20 160.2(2) . . ?
C5 U1 C20 95.5(2) . . ?
C16 U1 C20 30.2(2) . . ?

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
C9 C2 C3 C4 -1.1(15) . . . . ?
Si2 C2 C3 C4 -173.8(8) . . . . ?
U1 C2 C3 C4 50.8(9) . . . . ?
C9 C2 C3 U1 -51.9(8) . . . . ?
Si2 C2 C3 U1 135.4(5) . . . . ?
C2 C3 C4 C5 -2.7(17) . . . . ?
U1 C3 C4 C5 48.0(9) . . . . ?
C2 C3 C4 U1 -50.8(9) . . . . ?
C3 C4 C5 C6 -4.1(16) . . . . ?
U1 C4 C5 C6 43.6(9) . . . . ?
C3 C4 C5 U1 -47.7(9) . . . . ?
C4 C5 C6 C7 8.0(16) . . . . ?
U1 C5 C6 C7 52.2(8) . . . . ?
C4 C5 C6 U1 -44.1(9) . . . . ?
C5 C6 C7 C8 0.1(14) . . . . ?
U1 C6 C7 C8 52.5(7) . . . . ?
C5 C6 C7 Si1 177.9(7) . . . . ?
U1 C6 C7 Si1 -129.7(4) . . . . ?
C5 C6 C7 U1 -52.4(8) . . . . ?
C6 C7 C8 C9 -6.0(14) . . . . ?
Si1 C7 C8 C9 176.3(7) . . . . ?
U1 C7 C8 C9 46.2(8) . . . . ?
C6 C7 C8 U1 -52.2(7) . . . . ?
Si1 C7 C8 U1 130.1(5) . . . . ?
C3 C2 C9 C8 6.8(15) . . . . ?
Si2 C2 C9 C8 179.7(7) . . . . ?
U1 C2 C9 C8 -45.0(9) . . . . ?
C3 C2 C9 U1 51.8(8) . . . . ?
Si2 C2 C9 U1 -135.3(4) . . . . ?
C7 C8 C9 C2 -0.9(15) . . . . ?
U1 C8 C9 C2 45.3(9) . . . . ?
C7 C8 C9 U1 -46.2(8) . . . . ?
C20 C16 C17 C18 -0.6(8) . . . . ?
C27 C16 C17 C18 171.4(7) . . . . ?
U1 C16 C17 C18 -69.4(5) . . . . ?
C20 C16 C17 C22 -174.1(7) . . . . ?
C27 C16 C17 C22 -2.1(11) . . . . ?
U1 C16 C17 C22 117.0(7) . . . . ?
C20 C16 C17 U1 68.8(5) . . . . ?
C27 C16 C17 U1 -119.2(7) . . . . ?
C16 C17 C18 C19 -0.1(8) . . . . ?
C22 C17 C18 C19 173.1(7) . . . . ?
U1 C17 C18 C19 -68.1(5) . . . . ?
C16 C17 C18 C24 -171.5(8) . . . . ?
C22 C17 C18 C24 1.7(13) . . . . ?
U1 C17 C18 C24 120.5(8) . . . . ?
C16 C17 C18 U1 67.9(5) . . . . ?
C22 C17 C18 U1 -118.8(8) . . . . ?
C17 C18 C19 C25A -171.6(18) . . . . ?
C24 C18 C19 C25A 0(2) . . . . ?
U1 C18 C19 C25A 121.1(18) . . . . ?
C17 C18 C19 C20 0.8(8) . . . . ?
C24 C18 C19 C20 172.7(7) . . . . ?
U1 C18 C19 C20 -66.5(5) . . . . ?
C17 C18 C19 C25B -167.9(8) . . . . ?
C24 C18 C19 C25B 4.0(13) . . . . ?
U1 C18 C19 C25B 124.8(9) . . . . ?
C17 C18 C19 U1 67.3(5) . . . . ?
C24 C18 C19 U1 -120.8(8) . . . . ?
C25A C19 C20 C16 164(4) . . . . ?
C18 C19 C20 C16 -1.2(8) . . . . ?
C25B C19 C20 C16 168.7(7) . . . . ?
U1 C19 C20 C16 -68.9(5) . . . . ?
C25A C19 C20 C26 -10(4) . . . . ?
C18 C19 C20 C26 -175.2(7) . . . . ?
C25B C19 C20 C26 -5.3(12) . . . . ?
U1 C19 C20 C26 117.0(7) . . . . ?
C25A C19 C20 U1 -127(4) . . . . ?
C18 C19 C20 U1 67.8(5) . . . . ?
C25B C19 C20 U1 -122.3(7) . . . . ?
C17 C16 C20 C19 1.1(8) . . . . ?
C27 C16 C20 C19 -170.8(7) . . . . ?
U1 C16 C20 C19 70.5(5) . . . . ?
C17 C16 C20 C26 175.3(7) . . . . ?
C27 C16 C20 C26 3.3(11) . . . . ?
U1 C16 C20 C26 -115.3(7) . . . . ?
C17 C16 C20 U1 -69.4(5) . . . . ?
C27 C16 C20 U1 118.7(7) . . . . ?
C16 C17 C22 C23 -142.6(9) . . . . ?
C18 C17 C22 C23 45.1(12) . . . . ?
U1 C17 C22 C23 -51.3(11) . . . . ?
C16 C17 C22 C21 90.8(10) . . . . ?
C18 C17 C22 C21 -81.5(11) . . . . ?
U1 C17 C22 C21 -177.9(7) . . . . ?
O2 C1 O1 U1 168.5(6) 3_575 . . . ?
C1 C1 O1 U1 -11.4(10) 3_575 . . . ?
C6 C7 Si1 C15 -71.9(7) . . . . ?
C8 C7 Si1 C15 106.2(6) . . . . ?
U1 C7 Si1 C15 -160.6(5) . . . . ?
C6 C7 Si1 C13 167.4(6) . . . . ?
C8 C7 Si1 C13 -14.5(7) . . . . ?
U1 C7 Si1 C13 78.7(5) . . . . ?
C6 C7 Si1 C14 46.7(7) . . . . ?
C8 C7 Si1 C14 -135.2(6) . . . . ?
U1 C7 Si1 C14 -42.0(6) . . . . ?
C9 C2 Si2 C12 179.6(6) . . . . ?
C3 C2 Si2 C12 -6.4(8) . . . . ?
U1 C2 Si2 C12 87.9(6) . . . . ?
C9 C2 Si2 C11 -63.3(7) . . . . ?
C3 C2 Si2 C11 110.7(7) . . . . ?
U1 C2 Si2 C11 -155.1(5) . . . . ?
C9 C2 Si2 C10 56.5(7) . . . . ?
C3 C2 Si2 C10 -129.5(7) . . . . ?
U1 C2 Si2 C10 -35.2(7) . . . . ?
C1 O2 U1 O1 -13.2(5) 3_575 . . . ?
C1 O2 U1 C6 48.9(8) 3_575 . . . ?
C1 O2 U1 C8 59.0(6) 3_575 . . . ?
C1 O2 U1 C3 138.0(6) 3_575 . . . ?
C1 O2 U1 C7 42.8(6) 3_575 . . . ?
C1 O2 U1 C9 85.8(6) 3_575 . . . ?
C1 O2 U1 C4 144.7(6) 3_575 . . . ?
C1 O2 U1 C2 116.8(6) 3_575 . . . ?
C1 O2 U1 C5 119.8(7) 3_575 . . . ?
C1 O2 U1 C16 -91.8(6) 3_575 . . . ?
C1 O2 U1 C20 -82.9(6) 3_575 . . . ?
C1 O1 U1 O2 11.9(5) . . . . ?
C1 O1 U1 C6 -141.3(5) . . . . ?
C1 O1 U1 C8 -88.1(5) . . . . ?
C1 O1 U1 C3 -58.1(7) . . . . ?
C1 O1 U1 C7 -119.9(5) . . . . ?
C1 O1 U1 C9 -62.6(5) . . . . ?
C1 O1 U1 C4 -125.9(6) . . . . ?
C1 O1 U1 C2 -48.5(5) . . . . ?
C1 O1 U1 C5 -147.2(5) . . . . ?
C1 O1 U1 C16 93.9(5) . . . . ?
C1 O1 U1 C20 124.6(5) . . . . ?
C7 C6 U1 O2 -10.5(7) . . . . ?
C5 C6 U1 O2 134.8(5) . . . . ?
C7 C6 U1 O1 43.9(4) . . . . ?
C5 C6 U1 O1 -170.9(4) . . . . ?
C7 C6 U1 C8 -22.5(4) . . . . ?
C5 C6 U1 C8 122.8(5) . . . . ?
C7 C6 U1 C3 -105.6(4) . . . . ?
C5 C6 U1 C3 39.6(4) . . . . ?
C5 C6 U1 C7 145.2(7) . . . . ?
C7 C6 U1 C9 -47.2(4) . . . . ?
C5 C6 U1 C9 98.1(4) . . . . ?
C7 C6 U1 C4 -128.5(5) . . . . ?
C5 C6 U1 C4 16.7(4) . . . . ?
C7 C6 U1 C2 -76.1(4) . . . . ?
C5 C6 U1 C2 69.1(4) . . . . ?
C7 C6 U1 C5 -145.2(7) . . . . ?
C7 C6 U1 C16 120.3(4) . . . . ?
C5 C6 U1 C16 -94.5(5) . . . . ?
C7 C6 U1 C20 123.3(4) . . . . ?
C5 C6 U1 C20 -91.5(4) . . . . ?
C7 C8 U1 O2 -151.5(4) . . . . ?
C9 C8 U1 O2 59.0(4) . . . . ?
C7 C8 U1 O1 -87.7(4) . . . . ?
C9 C8 U1 O1 122.9(4) . . . . ?
C7 C8 U1 C6 22.5(4) . . . . ?
C9 C8 U1 C6 -127.0(5) . . . . ?
C7 C8 U1 C3 107.2(5) . . . . ?
C9 C8 U1 C3 -42.3(4) . . . . ?
C9 C8 U1 C7 -149.5(7) . . . . ?
C7 C8 U1 C9 149.5(7) . . . . ?
C7 C8 U1 C4 77.4(5) . . . . ?
C9 C8 U1 C4 -72.1(4) . . . . ?
C7 C8 U1 C2 132.5(5) . . . . ?
C9 C8 U1 C2 -16.9(4) . . . . ?
C7 C8 U1 C5 48.6(4) . . . . ?
C9 C8 U1 C5 -100.9(4) . . . . ?
C7 C8 U1 C16 -83.8(6) . . . . ?
C9 C8 U1 C16 126.8(5) . . . . ?
C7 C8 U1 C20 -34.8(6) . . . . ?
C9 C8 U1 C20 175.7(4) . . . . ?
C4 C3 U1 O2 169.9(5) . . . . ?
C2 C3 U1 O2 -44.2(5) . . . . ?
C4 C3 U1 O1 -129.2(5) . . . . ?
C2 C3 U1 O1 16.6(7) . . . . ?
C4 C3 U1 C6 -41.0(5) . . . . ?
C2 C3 U1 C6 104.8(5) . . . . ?
C4 C3 U1 C8 -99.7(5) . . . . ?
C2 C3 U1 C8 46.1(5) . . . . ?
C4 C3 U1 C7 -70.5(5) . . . . ?
C2 C3 U1 C7 75.4(5) . . . . ?
C4 C3 U1 C9 -124.0(6) . . . . ?
C2 C3 U1 C9 21.9(4) . . . . ?
C2 C3 U1 C4 145.9(8) . . . . ?
C4 C3 U1 C2 -145.9(8) . . . . ?
C4 C3 U1 C5 -18.3(5) . . . . ?
C2 C3 U1 C5 127.6(5) . . . . ?
C4 C3 U1 C16 87.7(6) . . . . ?
C2 C3 U1 C16 -126.4(4) . . . . ?
C4 C3 U1 C20 47.1(6) . . . . ?
C2 C3 U1 C20 -167.0(4) . . . . ?
C6 C7 U1 O2 174.0(4) . . . . ?
C8 C7 U1 O2 33.1(5) . . . . ?
Si1 C7 U1 O2 -79.3(5) . . . . ?
C6 C7 U1 O1 -135.0(5) . . . . ?
C8 C7 U1 O1 84.1(4) . . . . ?
Si1 C7 U1 O1 -28.2(4) . . . . ?
C8 C7 U1 C6 -140.9(7) . . . . ?
Si1 C7 U1 C6 106.8(6) . . . . ?
C6 C7 U1 C8 140.9(7) . . . . ?
Si1 C7 U1 C8 -112.3(6) . . . . ?
C6 C7 U1 C3 71.3(4) . . . . ?
C8 C7 U1 C3 -69.6(4) . . . . ?
Si1 C7 U1 C3 178.1(4) . . . . ?
C6 C7 U1 C9 123.2(5) . . . . ?
C8 C7 U1 C9 -17.7(4) . . . . ?
Si1 C7 U1 C9 -130.0(5) . . . . ?
C6 C7 U1 C4 42.5(4) . . . . ?
C8 C7 U1 C4 -98.4(5) . . . . ?
Si1 C7 U1 C4 149.2(5) . . . . ?
C6 C7 U1 C2 101.2(5) . . . . ?
C8 C7 U1 C2 -39.7(4) . . . . ?
Si1 C7 U1 C2 -152.1(5) . . . . ?
C6 C7 U1 C5 20.0(4) . . . . ?
C8 C7 U1 C5 -120.9(5) . . . . ?
Si1 C7 U1 C5 126.7(5) . . . . ?
C6 C7 U1 C16 -85.5(5) . . . . ?
C8 C7 U1 C16 133.6(4) . . . . ?
Si1 C7 U1 C16 21.3(6) . . . . ?
C6 C7 U1 C20 -63.2(5) . . . . ?
C8 C7 U1 C20 155.9(4) . . . . ?
Si1 C7 U1 C20 43.6(5) . . . . ?
C2 C9 U1 O2 91.1(4) . . . . ?
C8 C9 U1 O2 -118.5(4) . . . . ?
C2 C9 U1 O1 155.3(4) . . . . ?
C8 C9 U1 O1 -54.3(4) . . . . ?
C2 C9 U1 C6 -106.9(4) . . . . ?
C8 C9 U1 C6 43.5(4) . . . . ?
C2 C9 U1 C8 -150.4(7) . . . . ?
C2 C9 U1 C3 -22.1(4) . . . . ?
C8 C9 U1 C3 128.3(5) . . . . ?
C2 C9 U1 C7 -132.8(5) . . . . ?
C8 C9 U1 C7 17.6(4) . . . . ?
C2 C9 U1 C4 -47.4(4) . . . . ?
C8 C9 U1 C4 103.0(4) . . . . ?
C8 C9 U1 C2 150.4(7) . . . . ?
C2 C9 U1 C5 -76.5(4) . . . . ?
C8 C9 U1 C5 73.9(4) . . . . ?
C2 C9 U1 C16 96.3(6) . . . . ?
C8 C9 U1 C16 -113.3(6) . . . . ?
C2 C9 U1 C20 -165.2(10) . . . . ?
C8 C9 U1 C20 -14.8(13) . . . . ?
C5 C4 U1 O2 -160.9(4) . . . . ?
C3 C4 U1 O2 -13.2(6) . . . . ?
C5 C4 U1 O1 -35.4(8) . . . . ?
C3 C4 U1 O1 112.3(6) . . . . ?
C5 C4 U1 C6 -17.3(4) . . . . ?
C3 C4 U1 C6 130.4(5) . . . . ?
C5 C4 U1 C8 -71.8(5) . . . . ?
C3 C4 U1 C8 76.0(5) . . . . ?
C5 C4 U1 C3 -147.7(8) . . . . ?
C5 C4 U1 C7 -41.3(4) . . . . ?
C3 C4 U1 C7 106.4(5) . . . . ?
C5 C4 U1 C9 -101.9(5) . . . . ?
C3 C4 U1 C9 45.8(5) . . . . ?
C5 C4 U1 C2 -128.0(5) . . . . ?
C3 C4 U1 C2 19.7(4) . . . . ?
C3 C4 U1 C5 147.7(8) . . . . ?
C5 C4 U1 C16 96.7(5) . . . . ?
C3 C4 U1 C16 -115.6(5) . . . . ?
C5 C4 U1 C20 67.7(5) . . . . ?
C3 C4 U1 C20 -144.6(5) . . . . ?
C9 C2 U1 O2 -82.4(4) . . . . ?
C3 C2 U1 O2 136.0(5) . . . . ?
Si2 C2 U1 O2 24.9(5) . . . . ?
C9 C2 U1 O1 -28.8(5) . . . . ?
C3 C2 U1 O1 -170.4(4) . . . . ?
Si2 C2 U1 O1 78.5(5) . . . . ?
C9 C2 U1 C6 69.7(4) . . . . ?
C3 C2 U1 C6 -72.0(5) . . . . ?
Si2 C2 U1 C6 177.0(5) . . . . ?
C9 C2 U1 C8 17.2(4) . . . . ?
C3 C2 U1 C8 -124.5(5) . . . . ?
Si2 C2 U1 C8 124.5(6) . . . . ?
C9 C2 U1 C3 141.6(7) . . . . ?
Si2 C2 U1 C3 -111.1(7) . . . . ?
C9 C2 U1 C7 39.6(4) . . . . ?
C3 C2 U1 C7 -102.1(5) . . . . ?
Si2 C2 U1 C7 146.9(5) . . . . ?
C3 C2 U1 C9 -141.6(7) . . . . ?
Si2 C2 U1 C9 107.3(7) . . . . ?
C9 C2 U1 C4 122.2(5) . . . . ?
C3 C2 U1 C4 -19.5(5) . . . . ?
Si2 C2 U1 C4 -130.5(6) . . . . ?
C9 C2 U1 C5 98.8(4) . . . . ?
C3 C2 U1 C5 -42.9(5) . . . . ?
Si2 C2 U1 C5 -153.9(5) . . . . ?
C9 C2 U1 C16 -132.7(4) . . . . ?
C3 C2 U1 C16 85.7(6) . . . . ?
Si2 C2 U1 C16 -25.4(7) . . . . ?
C9 C2 U1 C20 171.6(6) . . . . ?
C3 C2 U1 C20 30.0(9) . . . . ?
Si2 C2 U1 C20 -81.1(8) . . . . ?
C4 C5 U1 O2 40.0(8) . . . . ?
C6 C5 U1 O2 -110.4(7) . . . . ?
C4 C5 U1 O1 161.9(4) . . . . ?
C6 C5 U1 O1 11.5(5) . . . . ?
C4 C5 U1 C6 150.4(7) . . . . ?
C4 C5 U1 C8 103.6(5) . . . . ?
C6 C5 U1 C8 -46.8(4) . . . . ?
C4 C5 U1 C3 18.6(4) . . . . ?
C6 C5 U1 C3 -131.7(5) . . . . ?
C4 C5 U1 C7 130.4(5) . . . . ?
C6 C5 U1 C7 -20.0(4) . . . . ?
C4 C5 U1 C9 73.2(5) . . . . ?
C6 C5 U1 C9 -77.2(4) . . . . ?
C6 C5 U1 C4 -150.4(7) . . . . ?
C4 C5 U1 C2 43.0(5) . . . . ?
C6 C5 U1 C2 -107.4(4) . . . . ?
C4 C5 U1 C16 -103.0(5) . . . . ?
C6 C5 U1 C16 106.6(4) . . . . ?
C4 C5 U1 C20 -118.1(5) . . . . ?
C6 C5 U1 C20 91.6(4) . . . . ?
C17 C16 U1 O2 -83.6(4) . . . . ?
C20 C16 U1 O2 162.8(5) . . . . ?
C27 C16 U1 O2 39.5(6) . . . . ?
C17 C16 U1 O1 -151.6(4) . . . . ?
C20 C16 U1 O1 94.7(5) . . . . ?
C27 C16 U1 O1 -28.5(6) . . . . ?
C17 C16 U1 C6 119.6(4) . . . . ?
C20 C16 U1 C6 5.9(6) . . . . ?
C27 C16 U1 C6 -117.3(6) . . . . ?
C17 C16 U1 C8 -155.5(4) . . . . ?
C20 C16 U1 C8 90.8(6) . . . . ?
C27 C16 U1 C8 -32.4(9) . . . . ?
C17 C16 U1 C3 10.1(5) . . . . ?
C20 C16 U1 C3 -103.6(5) . . . . ?
C27 C16 U1 C3 133.2(6) . . . . ?
C17 C16 U1 C7 158.4(4) . . . . ?
C20 C16 U1 C7 44.7(6) . . . . ?
C27 C16 U1 C7 -78.5(7) . . . . ?
C17 C16 U1 C9 -88.8(6) . . . . ?
C20 C16 U1 C9 157.6(5) . . . . ?
C27 C16 U1 C9 34.4(9) . . . . ?
C17 C16 U1 C4 47.3(5) . . . . ?
C20 C16 U1 C4 -66.3(5) . . . . ?
C27 C16 U1 C4 170.4(6) . . . . ?
C17 C16 U1 C2 -32.5(6) . . . . ?
C20 C16 U1 C2 -146.2(5) . . . . ?
C27 C16 U1 C2 90.6(7) . . . . ?
C17 C16 U1 C5 82.7(5) . . . . ?
C20 C16 U1 C5 -31.0(5) . . . . ?
C27 C16 U1 C5 -154.2(6) . . . . ?
C17 C16 U1 C20 113.7(6) . . . . ?
C27 C16 U1 C20 -123.2(9) . . . . ?
C19 C20 U1 O2 -130.4(4) . . . . ?
C16 C20 U1 O2 -17.4(5) . . . . ?
C26 C20 U1 O2 104.7(7) . . . . ?
C19 C20 U1 O1 169.1(5) . . . . ?
C16 C20 U1 O1 -77.9(4) . . . . ?
C26 C20 U1 O1 44.2(7) . . . . ?
C19 C20 U1 C6 71.9(5) . . . . ?
C16 C20 U1 C6 -175.1(5) . . . . ?
C26 C20 U1 C6 -53.0(7) . . . . ?
C19 C20 U1 C8 117.4(5) . . . . ?
C16 C20 U1 C8 -129.7(4) . . . . ?
C26 C20 U1 C8 -7.5(8) . . . . ?
C19 C20 U1 C3 -9.0(6) . . . . ?
C16 C20 U1 C3 103.9(5) . . . . ?
C26 C20 U1 C3 -133.9(7) . . . . ?
C19 C20 U1 C7 99.2(5) . . . . ?
C16 C20 U1 C7 -147.9(4) . . . . ?
C26 C20 U1 C7 -25.8(7) . . . . ?
C19 C20 U1 C9 128.8(11) . . . . ?
C16 C20 U1 C9 -118.3(11) . . . . ?
C26 C20 U1 C9 3.9(16) . . . . ?
C19 C20 U1 C4 13.8(5) . . . . ?
C16 C20 U1 C4 126.8(5) . . . . ?
C26 C20 U1 C4 -111.1(7) . . . . ?
C19 C20 U1 C2 -28.8(9) . . . . ?
C16 C20 U1 C2 84.1(8) . . . . ?
C26 C20 U1 C2 -153.7(7) . . . . ?
C19 C20 U1 C5 41.1(5) . . . . ?
C16 C20 U1 C5 154.1(5) . . . . ?
C26 C20 U1 C5 -83.8(7) . . . . ?
C19 C20 U1 C16 -113.0(7) . . . . ?
C26 C20 U1 C16 122.1(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         2.711
_refine_diff_density_min         -1.171
_refine_diff_density_rms         0.158
_database_code_depnum_ccdc_archive 'CCDC 1000014'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_11

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        11

_chemical_name_common            11
_chemical_melting_point          ?
_chemical_formula_moiety         'C53 H86 O3 Si4 U2'
_chemical_formula_sum            'C53 H86 O3 Si4 U2'
_chemical_formula_weight         1359.63
_chemical_compound_source        'synthesis as described'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'

_cell_length_a                   23.330(5)
_cell_length_b                   21.460(4)
_cell_length_c                   10.710(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5362.1(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    6481
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Plate
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    6.162
_shelx_estimated_absorpt_T_min   0.372
_shelx_estimated_absorpt_T_max   0.837
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.372
_exptl_absorpt_correction_T_max  0.837
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_reflns_number            65742
_diffrn_reflns_av_unetI/netI     0.0472
_diffrn_reflns_av_R_equivalents  0.1128
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.425
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             6298
_reflns_number_gt                4569
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
;
'HKL Denzo and Scalepack (Minor 1997)'
;
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
The CpMe4Et ligand is disordered over two positions due to 
the centrosymmetric space group. Although this disorder was 
modeled successfully
it resulted in unstable and/or non-converging refinements. 
As a result a model without the disorder has been included and 
therefore the corresponding thermal ellipsoids are 
big thus yielding level A alerts.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0607P)²+26.0159P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6298
_refine_ls_number_parameters     297
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0524
_refine_ls_wR_factor_ref         0.1336
_refine_ls_wR_factor_gt          0.1214
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.2331(5) 0.2500 0.4821(10) 0.044(3) Uani 1 2 d S T P . .
C2 C 0.0905(3) 0.2827(3) 0.5734(6) 0.0283(15) Uani 1 1 d . . . . .
H2 H 0.1048 0.2988 0.6499 0.034 Uiso 1 1 calc R U . . .
C3 C 0.0751(3) 0.3309(3) 0.4906(7) 0.0346(17) Uani 1 1 d . . . . .
C4 C 0.0439(3) 0.3285(4) 0.3769(7) 0.043(2) Uani 1 1 d . . . . .
H4 H 0.0384 0.3687 0.3419 0.051 Uiso 1 1 calc R U . . .
C5 C 0.0192(3) 0.2819(4) 0.3038(7) 0.044(2) Uani 1 1 d . . . . .
H5 H -0.0031 0.2986 0.2376 0.053 Uiso 1 1 calc R U . . .
C6A C 0.1226(12) 0.4620(11) 0.445(3) 0.059(3) Uani 0.430(16) 1 d . U P A 1
H6A1 H 0.1288 0.5016 0.4889 0.089 Uiso 0.430(16) 1 calc R U P A 1
H6A2 H 0.0969 0.4687 0.3741 0.089 Uiso 0.430(16) 1 calc R U P A 1
H6A3 H 0.1594 0.4457 0.4156 0.089 Uiso 0.430(16) 1 calc R U P A 1
C8A C 0.1512(12) 0.4055(11) 0.685(2) 0.059(3) Uani 0.430(16) 1 d . U P A 1
H8A1 H 0.1371 0.3763 0.7480 0.089 Uiso 0.430(16) 1 calc R U P A 1
H8A2 H 0.1564 0.4468 0.7224 0.089 Uiso 0.430(16) 1 calc R U P A 1
H8A3 H 0.1880 0.3907 0.6521 0.089 Uiso 0.430(16) 1 calc R U P A 1
C6B C 0.1068(10) 0.4602(8) 0.3809(18) 0.059(3) Uani 0.570(16) 1 d . U P A 2
H6B1 H 0.0720 0.4591 0.3296 0.089 Uiso 0.570(16) 1 calc R U P A 2
H6B2 H 0.1386 0.4413 0.3346 0.089 Uiso 0.570(16) 1 calc R U P A 2
H6B3 H 0.1163 0.5035 0.4012 0.089 Uiso 0.570(16) 1 calc R U P A 2
C8B C 0.1595(9) 0.4187(8) 0.6205(18) 0.059(3) Uani 0.570(16) 1 d . U P A 2
H8B1 H 0.1656 0.4623 0.6440 0.089 Uiso 0.570(16) 1 calc R U P A 2
H8B2 H 0.1905 0.4050 0.5653 0.089 Uiso 0.570(16) 1 calc R U P A 2
H8B3 H 0.1591 0.3928 0.6959 0.089 Uiso 0.570(16) 1 calc R U P A 2
C7 C 0.0296(5) 0.4446(5) 0.6168(12) 0.081(4) Uani 1 1 d . . . . .
H7A H 0.0129 0.4139 0.6739 0.121 Uiso 1 1 calc R U . . .
H7B H 0.0014 0.4557 0.5527 0.121 Uiso 1 1 calc R U . . .
H7C H 0.0405 0.4820 0.6637 0.121 Uiso 1 1 calc R U . . .
C15 C 0.3966(3) 0.2171(3) 0.4285(6) 0.0312(15) Uani 1 1 d . . . . .
H15 H 0.3821 0.2010 0.3521 0.037 Uiso 1 1 calc R U . . .
C16 C 0.4121(3) 0.1690(4) 0.5104(8) 0.0423(19) Uani 1 1 d . . . . .
C17 C 0.4436(3) 0.1712(5) 0.6234(8) 0.055(3) Uani 1 1 d . . . . .
H17 H 0.4486 0.1311 0.6594 0.066 Uiso 1 1 calc R U . . .
C18 C 0.4694(3) 0.2188(5) 0.6955(7) 0.061(3) Uani 1 1 d . . . . .
H18 H 0.4926 0.2022 0.7604 0.074 Uiso 1 1 calc R U . . .
C19A C 0.3076(15) 0.0759(17) 0.478(4) 0.080(3) Uani 0.315(12) 1 d . . P B 3
H19A H 0.2873 0.1151 0.4624 0.120 Uiso 0.315(12) 1 calc R U P B 3
H19B H 0.2993 0.0617 0.5634 0.120 Uiso 0.315(12) 1 calc R U P B 3
H19C H 0.2947 0.0443 0.4184 0.120 Uiso 0.315(12) 1 calc R U P B 3
C20A C 0.4307(16) 0.0261(17) 0.483(4) 0.080(3) Uani 0.315(12) 1 d . . P B 3
H20A H 0.4169 -0.0097 0.4355 0.120 Uiso 0.315(12) 1 calc R U P B 3
H20B H 0.4707 0.0193 0.5075 0.120 Uiso 0.315(12) 1 calc R U P B 3
H20C H 0.4280 0.0638 0.4322 0.120 Uiso 0.315(12) 1 calc R U P B 3
C19B C 0.3287(7) 0.0838(8) 0.3859(19) 0.080(3) Uani 0.685(12) 1 d . . P B 4
H19D H 0.2988 0.1029 0.4376 0.120 Uiso 0.685(12) 1 calc R U P B 4
H19E H 0.3194 0.0399 0.3716 0.120 Uiso 0.685(12) 1 calc R U P B 4
H19F H 0.3308 0.1056 0.3055 0.120 Uiso 0.685(12) 1 calc R U P B 4
C20B C 0.4557(7) 0.0567(8) 0.3803(18) 0.080(3) Uani 0.685(12) 1 d . . P B 4
H20D H 0.4896 0.0636 0.4326 0.120 Uiso 0.685(12) 1 calc R U P B 4
H20E H 0.4611 0.0775 0.2996 0.120 Uiso 0.685(12) 1 calc R U P B 4
H20F H 0.4503 0.0119 0.3670 0.120 Uiso 0.685(12) 1 calc R U P B 4
C21 C 0.3923(10) 0.0343(8) 0.606(2) 0.184(10) Uani 1 1 d . . . . .
H21A H 0.3691 0.0722 0.5990 0.276 Uiso 1 1 calc R U . B 3
H21B H 0.4173 0.0377 0.6796 0.276 Uiso 1 1 calc R U . B 3
H21C H 0.3671 -0.0019 0.6158 0.276 Uiso 1 1 calc R U . B 3
O1 O 0.2763(3) 0.2500 0.5522(7) 0.094(5) Uani 1 2 d S T P . .
O2 O 0.2104(2) 0.1991(3) 0.4432(5) 0.0466(14) Uani 1 1 d . . . . .
Si5 Si 0.09326(12) 0.41140(12) 0.5422(4) 0.0713(9) Uani 1 1 d . . . . .
Si7 Si 0.39186(15) 0.08926(13) 0.4591(4) 0.0822(11) Uani 1 1 d . . . . .
U1 U 0.13026(2) 0.2500 0.34893(3) 0.02410(12) Uani 1 2 d S T P . .
U2 U 0.35925(2) 0.2500 0.65228(3) 0.03146(13) Uani 1 2 d S T P . .
C11 C 0.1792(3) 0.1963(5) 0.1452(7) 0.051(2) Uani 1 1 d . . . . .
C10 C 0.2113(5) 0.2500 0.1698(9) 0.049(3) Uani 1 2 d S T P . .
C9 C 0.2750(4) 0.2500 0.2046(10) 0.046(3) Uani 1 2 d S T P . .
H9A H 0.2880 0.2930 0.2174 0.069 Uiso 0.5 1 calc R U P . .
H9B H 0.2972 0.2309 0.1371 0.069 Uiso 0.5 1 calc R U P . .
H9C H 0.2806 0.2261 0.2817 0.069 Uiso 0.5 1 calc R U P . .
C23 C 0.2770(4) 0.2500 0.8288(9) 0.046(3) Uani 1 2 d S T P . .
C24 C 0.3099(4) 0.1980(6) 0.8544(8) 0.064(3) Uani 1 1 d . . . . .
C22 C 0.2151(4) 0.2500 0.7949(10) 0.043(3) Uani 1 2 d S T P . .
H22A H 0.2022 0.2929 0.7814 0.064 Uiso 0.5 1 calc R U P . .
H22B H 0.1928 0.2313 0.8628 0.064 Uiso 0.5 1 calc R U P . .
H22C H 0.2095 0.2258 0.7183 0.064 Uiso 0.5 1 calc R U P . .
C13 C 0.1259(3) 0.2177(6) 0.1034(7) 0.079(5) Uani 1 1 d . . . . .
C12 C 0.2000(6) 0.1308(6) 0.1586(13) 0.104(5) Uani 1 1 d . . . . .
H12A H 0.1693 0.1019 0.1352 0.155 Uiso 1 1 calc R U . . .
H12B H 0.2113 0.1233 0.2454 0.155 Uiso 1 1 calc R U . . .
H12C H 0.2332 0.1243 0.1038 0.155 Uiso 1 1 calc R U . . .
C14 C 0.0812(4) 0.1737(10) 0.0481(12) 0.147(8) Uani 1 1 d . . . . .
H14A H 0.0713 0.1421 0.1118 0.176 Uiso 1 1 calc R U . . .
H14B H 0.0460 0.1980 0.0306 0.176 Uiso 1 1 calc R U . . .
C25 C 0.2898(6) 0.1328(8) 0.8397(13) 0.125(7) Uani 1 1 d . . . . .
H25A H 0.3204 0.1040 0.8642 0.187 Uiso 1 1 calc R U . . .
H25B H 0.2794 0.1253 0.7523 0.187 Uiso 1 1 calc R U . . .
H25C H 0.2562 0.1259 0.8929 0.187 Uiso 1 1 calc R U . . .
C26 C 0.3631(3) 0.2188(9) 0.8967(8) 0.120(11) Uani 1 1 d . . . . .
C27 C 0.4078(4) 0.1760(11) 0.9532(12) 0.189(11) Uani 1 1 d . . . . .
H27A H 0.4413 0.2020 0.9766 0.227 Uiso 1 1 calc R U . . .
H27B H 0.4208 0.1471 0.8869 0.227 Uiso 1 1 calc R U . . .
C28 C 0.3910(8) 0.1356(10) 1.0709(16) 0.156(8) Uani 1 1 d . . . . .
H28A H 0.4242 0.1110 1.0979 0.234 Uiso 1 1 calc R U . . .
H28B H 0.3594 0.1075 1.0489 0.234 Uiso 1 1 calc R U . . .
H28C H 0.3788 0.1631 1.1389 0.234 Uiso 1 1 calc R U . . .
C29 C 0.0988(8) 0.1399(10) -0.0716(15) 0.154(8) Uani 1 1 d . . . . .
H29A H 0.0673 0.1130 -0.0996 0.231 Uiso 1 1 calc R U . . .
H29B H 0.1328 0.1143 -0.0552 0.231 Uiso 1 1 calc R U . . .
H29C H 0.1076 0.1705 -0.1367 0.231 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 1.257(14) . ?
C1 O2 1.283(8) 8_565 ?
C1 O2 1.283(8) . ?
C1 U1 2.792(12) . ?
C2 C2 1.403(14) 8_565 ?
C2 C3 1.409(10) . ?
C2 U1 2.670(6) . ?
C3 C4 1.420(11) . ?
C3 Si5 1.863(8) . ?
C3 U1 2.640(7) . ?
C4 C5 1.394(12) . ?
C4 U1 2.644(7) . ?
C5 C5 1.369(18) 8_565 ?
C5 U1 2.723(7) . ?
C6A Si5 1.65(2) . ?
C8A Si5 2.04(3) . ?
C6B Si5 2.044(19) . ?
C8B Si5 1.76(2) . ?
C7 Si5 1.830(10) . ?
C15 C16 1.402(10) . ?
C15 C15 1.413(15) 8_565 ?
C15 U2 2.646(7) . ?
C16 C17 1.417(12) . ?
C16 Si7 1.859(9) . ?
C16 U2 2.617(8) . ?
C17 C18 1.413(14) . ?
C17 U2 2.613(8) . ?
C18 C18 1.34(2) 8_565 ?
C18 U2 2.696(7) . ?
C19A Si7 2.00(4) . ?
C20A C21 1.60(4) . ?
C20A Si7 1.65(4) . ?
C19B Si7 1.674(18) . ?
C20B Si7 1.849(16) . ?
C21 Si7 1.969(18) . ?
O1 U2 2.212(8) . ?
O2 U1 2.389(5) . ?
U1 O2 2.389(5) 8_565 ?
U1 C3 2.640(7) 8_565 ?
U1 C4 2.644(7) 8_565 ?
U1 C2 2.670(6) 8_565 ?
U1 C10 2.693(11) . ?
U1 C11 2.719(8) . ?
U1 C11 2.719(8) 8_565 ?
U2 C17 2.613(8) 8_565 ?
U2 C16 2.617(8) 8_565 ?
U2 C15 2.646(7) 8_565 ?
U2 C23 2.693(9) . ?
U2 C24 2.694(8) 8_565 ?
U2 C24 2.694(8) . ?
U2 C18 2.695(7) 8_565 ?
C11 C10 1.398(11) . ?
C11 C13 1.400(13) . ?
C11 C12 1.494(17) . ?
C10 C11 1.398(11) 8_565 ?
C10 C9 1.533(15) . ?
C23 C24 1.383(12) 8_565 ?
C23 C24 1.383(12) . ?
C23 C22 1.489(14) . ?
C24 C26 1.394(14) . ?
C24 C25 1.48(2) . ?
C13 C13 1.39(3) 8_565 ?
C13 C14 1.527(14) . ?
C14 C29 1.530(18) . ?
C26 C26 1.34(4) 8_565 ?
C26 C27 1.516(17) . ?
C27 C28 1.58(2) . ?

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
O1 C1 O2 121.7(5) . 8_565 ?
O1 C1 O2 121.7(5) . . ?
O2 C1 O2 116.6(11) 8_565 . ?
O1 C1 U1 174.1(8) . . ?
O2 C1 U1 58.6(5) 8_565 . ?
O2 C1 U1 58.6(5) . . ?
C2 C2 C3 137.3(4) 8_565 . ?
C2 C2 U1 74.77(15) 8_565 . ?
C3 C2 U1 73.5(4) . . ?
C2 C3 C4 130.1(7) . . ?
C2 C3 Si5 115.9(6) . . ?
C4 C3 Si5 113.9(6) . . ?
C2 C3 U1 75.8(4) . . ?
C4 C3 U1 74.5(4) . . ?
Si5 C3 U1 132.1(3) . . ?
C5 C4 C3 136.0(8) . . ?
C5 C4 U1 78.1(5) . . ?
C3 C4 U1 74.3(4) . . ?
C5 C5 C4 135.8(4) 8_565 . ?
C5 C5 U1 75.44(19) 8_565 . ?
C4 C5 U1 71.8(4) . . ?
C16 C15 C15 137.4(5) . 8_565 ?
C16 C15 U2 73.4(4) . . ?
C15 C15 U2 74.51(16) 8_565 . ?
C15 C16 C17 130.1(8) . . ?
C15 C16 Si7 115.2(6) . . ?
C17 C16 Si7 114.5(7) . . ?
C15 C16 U2 75.7(4) . . ?
C17 C16 U2 74.1(5) . . ?
Si7 C16 U2 131.6(4) . . ?
C16 C17 C18 135.4(8) . . ?
C16 C17 U2 74.4(4) . . ?
C18 C17 U2 77.8(5) . . ?
C18 C18 C17 136.2(5) 8_565 . ?
C18 C18 U2 75.6(2) 8_565 . ?
C17 C18 U2 71.3(4) . . ?
C21 C20A Si7 74.5(16) . . ?
C20A C21 Si7 53.9(15) . . ?
C1 O1 U2 172.3(7) . . ?
C1 O2 U1 94.1(6) . . ?
C6A Si5 C7 110.8(10) . . ?
C8B Si5 C7 117.9(8) . . ?
C6A Si5 C3 121.2(10) . . ?
C8B Si5 C3 114.9(6) . . ?
C7 Si5 C3 107.8(4) . . ?
C8B Si5 C6B 102.8(8) . . ?
C7 Si5 C6B 107.2(7) . . ?
C3 Si5 C6B 105.0(6) . . ?
C6A Si5 C8A 103.6(11) . . ?
C7 Si5 C8A 103.6(9) . . ?
C3 Si5 C8A 108.3(7) . . ?
C19B Si7 C20B 118.0(9) . . ?
C20A Si7 C16 124.7(13) . . ?
C19B Si7 C16 115.2(6) . . ?
C20B Si7 C16 106.1(6) . . ?
C20A Si7 C21 51.6(14) . . ?
C19B Si7 C21 109.8(9) . . ?
C20B Si7 C21 97.8(9) . . ?
C16 Si7 C21 108.2(7) . . ?
C20A Si7 C19A 114.0(17) . . ?
C16 Si7 C19A 110.6(10) . . ?
C21 Si7 C19A 80.6(14) . . ?
O2 U1 O2 54.4(3) 8_565 . ?
O2 U1 C3 116.0(2) 8_565 8_565 ?
O2 U1 C3 80.7(2) . 8_565 ?
O2 U1 C3 80.7(2) 8_565 . ?
O2 U1 C3 116.0(2) . . ?
C3 U1 C3 82.2(3) 8_565 . ?
O2 U1 C4 104.9(3) 8_565 . ?
O2 U1 C4 147.1(2) . . ?
C3 U1 C4 89.0(2) 8_565 . ?
C3 U1 C4 31.2(2) . . ?
O2 U1 C4 147.1(2) 8_565 8_565 ?
O2 U1 C4 104.9(3) . 8_565 ?
C3 U1 C4 31.2(2) 8_565 8_565 ?
C3 U1 C4 89.0(2) . 8_565 ?
C4 U1 C4 79.2(4) . 8_565 ?
O2 U1 C2 76.76(19) 8_565 . ?
O2 U1 C2 90.64(19) . . ?
C3 U1 C2 59.1(2) 8_565 . ?
C3 U1 C2 30.8(2) . . ?
C4 U1 C2 57.7(2) . . ?
C4 U1 C2 78.5(2) 8_565 . ?
O2 U1 C2 90.64(19) 8_565 8_565 ?
O2 U1 C2 76.76(19) . 8_565 ?
C3 U1 C2 30.8(2) 8_565 8_565 ?
C3 U1 C2 59.1(2) . 8_565 ?
C4 U1 C2 78.5(2) . 8_565 ?
C4 U1 C2 57.7(2) 8_565 8_565 ?
C2 U1 C2 30.5(3) . 8_565 ?
O2 U1 C10 75.6(2) 8_565 . ?
O2 U1 C10 75.6(2) . . ?
C3 U1 C10 138.71(17) 8_565 . ?
C3 U1 C10 138.71(17) . . ?
C4 U1 C10 128.0(2) . . ?
C4 U1 C10 128.0(2) 8_565 . ?
C2 U1 C10 152.2(2) . . ?
C2 U1 C10 152.2(2) 8_565 . ?
O2 U1 C11 101.8(2) 8_565 . ?
O2 U1 C11 79.4(2) . . ?
C3 U1 C11 112.8(3) 8_565 . ?
C3 U1 C11 160.8(3) . . ?
C4 U1 C11 133.0(3) . . ?
C4 U1 C11 98.1(3) 8_565 . ?
C2 U1 C11 168.4(3) . . ?
C2 U1 C11 139.2(3) 8_565 . ?
C10 U1 C11 29.9(2) . . ?
O2 U1 C11 79.4(2) 8_565 8_565 ?
O2 U1 C11 101.8(2) . 8_565 ?
C3 U1 C11 160.8(3) 8_565 8_565 ?
C3 U1 C11 112.8(3) . 8_565 ?
C4 U1 C11 98.1(3) . 8_565 ?
C4 U1 C11 133.0(3) 8_565 8_565 ?
C2 U1 C11 139.2(3) . 8_565 ?
C2 U1 C11 168.4(3) 8_565 8_565 ?
C10 U1 C11 29.9(2) . 8_565 ?
C11 U1 C11 50.1(5) . 8_565 ?
O2 U1 C5 134.8(2) 8_565 . ?
O2 U1 C5 159.2(2) . . ?
C3 U1 C5 78.7(2) 8_565 . ?
C3 U1 C5 58.2(2) . . ?
C4 U1 C5 30.1(3) . . ?
C4 U1 C5 57.0(3) 8_565 . ?
C2 U1 C5 76.3(2) . . ?
C2 U1 C5 84.0(2) 8_565 . ?
C10 U1 C5 122.8(3) . . ?
C11 U1 C5 111.3(3) . . ?
C11 U1 C5 98.7(2) 8_565 . ?
O1 U2 C17 127.0(3) . 8_565 ?
O1 U2 C17 127.0(3) . . ?
C17 U2 C17 80.6(5) 8_565 . ?
O1 U2 C16 97.5(2) . . ?
C17 U2 C16 90.3(3) 8_565 . ?
C17 U2 C16 31.4(3) . . ?
O1 U2 C16 97.5(2) . 8_565 ?
C17 U2 C16 31.4(3) 8_565 8_565 ?
C17 U2 C16 90.3(3) . 8_565 ?
C16 U2 C16 83.2(4) . 8_565 ?
O1 U2 C15 81.3(2) . . ?
C17 U2 C15 79.5(2) 8_565 . ?
C17 U2 C15 58.1(2) . . ?
C16 U2 C15 30.9(2) . . ?
C16 U2 C15 59.8(2) 8_565 . ?
O1 U2 C15 81.3(2) . 8_565 ?
C17 U2 C15 58.1(2) 8_565 8_565 ?
C17 U2 C15 79.5(2) . 8_565 ?
C16 U2 C15 59.8(2) . 8_565 ?
C16 U2 C15 30.9(2) 8_565 8_565 ?
C15 U2 C15 31.0(3) . 8_565 ?
O1 U2 C23 73.6(3) . . ?
C17 U2 C23 128.3(2) 8_565 . ?
C17 U2 C23 128.3(2) . . ?
C16 U2 C23 138.00(18) . . ?
C16 U2 C23 138.00(18) 8_565 . ?
C15 U2 C23 150.5(2) . . ?
C15 U2 C23 150.5(2) 8_565 . ?
O1 U2 C24 90.9(3) . 8_565 ?
C17 U2 C24 98.5(3) 8_565 8_565 ?
C17 U2 C24 133.2(3) . 8_565 ?
C16 U2 C24 160.6(3) . 8_565 ?
C16 U2 C24 113.1(3) 8_565 8_565 ?
C15 U2 C24 168.3(3) . 8_565 ?
C15 U2 C24 139.3(3) 8_565 8_565 ?
C23 U2 C24 29.8(2) . 8_565 ?
O1 U2 C24 90.9(3) . . ?
C17 U2 C24 133.2(3) 8_565 . ?
C17 U2 C24 98.5(3) . . ?
C16 U2 C24 113.1(3) . . ?
C16 U2 C24 160.6(3) 8_565 . ?
C15 U2 C24 139.3(3) . . ?
C15 U2 C24 168.3(3) 8_565 . ?
C23 U2 C24 29.8(2) . . ?
C24 U2 C24 49.0(5) 8_565 . ?
O1 U2 C18 156.5(3) . 8_565 ?
C17 U2 C18 30.8(3) 8_565 8_565 ?
C17 U2 C18 57.5(3) . 8_565 ?
C16 U2 C18 79.4(3) . 8_565 ?
C16 U2 C18 59.0(3) 8_565 8_565 ?
C15 U2 C18 84.7(2) . 8_565 ?
C15 U2 C18 77.0(2) 8_565 8_565 ?
C23 U2 C18 124.0(3) . 8_565 ?
C24 U2 C18 99.6(2) 8_565 8_565 ?
C24 U2 C18 111.9(3) . 8_565 ?
O1 U2 C18 156.5(3) . . ?
C17 U2 C18 57.5(3) 8_565 . ?
C17 U2 C18 30.8(3) . . ?
C16 U2 C18 59.0(3) . . ?
C16 U2 C18 79.4(3) 8_565 . ?
C15 U2 C18 77.0(2) . . ?
C15 U2 C18 84.7(2) 8_565 . ?
C23 U2 C18 124.0(3) . . ?
C24 U2 C18 111.9(3) 8_565 . ?
C24 U2 C18 99.6(2) . . ?
C18 U2 C18 28.8(5) 8_565 . ?
C10 C11 C13 105.4(10) . . ?
C10 C11 C12 125.7(9) . . ?
C13 C11 C12 128.9(10) . . ?
C10 C11 U1 74.0(5) . . ?
C13 C11 U1 75.2(5) . . ?
C12 C11 U1 117.3(7) . . ?
C11 C10 C11 111.0(11) . 8_565 ?
C11 C10 C9 124.3(6) . . ?
C11 C10 C9 124.3(6) 8_565 . ?
C11 C10 U1 76.1(5) . . ?
C11 C10 U1 76.1(5) 8_565 . ?
C9 C10 U1 120.5(7) . . ?
C24 C23 C24 107.7(12) 8_565 . ?
C24 C23 C22 125.9(6) 8_565 . ?
C24 C23 C22 125.9(6) . . ?
C24 C23 U2 75.1(5) 8_565 . ?
C24 C23 U2 75.1(5) . . ?
C22 C23 U2 121.3(6) . . ?
C23 C24 C26 107.4(12) . . ?
C23 C24 C25 124.3(10) . . ?
C26 C24 C25 128.2(12) . . ?
C23 C24 U2 75.1(5) . . ?
C26 C24 U2 75.4(5) . . ?
C25 C24 U2 116.2(8) . . ?
C13 C13 C11 109.1(7) 8_565 . ?
C13 C13 C14 128.2(9) 8_565 . ?
C11 C13 C14 122.0(13) . . ?
C13 C13 U1 75.2(3) 8_565 . ?
C11 C13 U1 75.0(4) . . ?
C14 C13 U1 123.9(7) . . ?
C29 C14 C13 115.8(10) . . ?
C26 C26 C24 108.7(9) 8_565 . ?
C26 C26 C27 127.3(11) 8_565 . ?
C24 C26 C27 123.2(16) . . ?
C26 C26 U2 75.7(4) 8_565 . ?
C24 C26 U2 74.6(5) . . ?
C27 C26 U2 124.0(7) . . ?
C26 C27 C28 118.7(10) . . ?

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
C2 C2 C3 C4 11.6(11) 8_565 . . . ?
U1 C2 C3 C4 55.1(7) . . . . ?
C2 C2 C3 Si5 -173.69(19) 8_565 . . . ?
U1 C2 C3 Si5 -130.2(4) . . . . ?
C2 C2 C3 U1 -43.5(4) 8_565 . . . ?
C2 C3 C4 C5 -2.4(14) . . . . ?
Si5 C3 C4 C5 -177.3(7) . . . . ?
U1 C3 C4 C5 53.1(9) . . . . ?
C2 C3 C4 U1 -55.6(7) . . . . ?
Si5 C3 C4 U1 129.6(4) . . . . ?
C3 C4 C5 C5 -7.7(13) . . . 8_565 ?
U1 C4 C5 C5 44.2(5) . . . 8_565 ?
C3 C4 C5 U1 -51.9(8) . . . . ?
C15 C15 C16 C17 -11.6(11) 8_565 . . . ?
U2 C15 C16 C17 -54.3(8) . . . . ?
C15 C15 C16 Si7 172.3(2) 8_565 . . . ?
U2 C15 C16 Si7 129.6(5) . . . . ?
C15 C15 C16 U2 42.7(5) 8_565 . . . ?
C15 C16 C17 C18 1.3(15) . . . . ?
Si7 C16 C17 C18 177.5(8) . . . . ?
U2 C16 C17 C18 -53.6(9) . . . . ?
C15 C16 C17 U2 54.9(7) . . . . ?
Si7 C16 C17 U2 -128.9(5) . . . . ?
C16 C17 C18 C18 9.5(13) . . . 8_565 ?
U2 C17 C18 C18 -43.0(5) . . . 8_565 ?
C16 C17 C18 U2 52.5(9) . . . . ?
O1 C1 O2 U1 173.0(9) . . . . ?
O2 C1 O2 U1 -8.8(9) 8_565 . . . ?
C2 C3 Si5 C6A 135.3(13) . . . . ?
C4 C3 Si5 C6A -49.1(14) . . . . ?
U1 C3 Si5 C6A 41.2(14) . . . . ?
C2 C3 Si5 C8B 38.1(9) . . . . ?
C4 C3 Si5 C8B -146.3(8) . . . . ?
U1 C3 Si5 C8B -55.9(9) . . . . ?
C2 C3 Si5 C7 -95.7(7) . . . . ?
C4 C3 Si5 C7 79.9(7) . . . . ?
U1 C3 Si5 C7 170.3(6) . . . . ?
C2 C3 Si5 C6B 150.3(8) . . . . ?
C4 C3 Si5 C6B -34.1(9) . . . . ?
U1 C3 Si5 C6B 56.2(8) . . . . ?
C2 C3 Si5 C8A 15.9(10) . . . . ?
C4 C3 Si5 C8A -168.5(9) . . . . ?
U1 C3 Si5 C8A -78.2(9) . . . . ?
C21 C20A Si7 C19B -92.4(18) . . . . ?
C21 C20A Si7 C20B 166(3) . . . . ?
C21 C20A Si7 C16 86.4(17) . . . . ?
C21 C20A Si7 C19A -55(2) . . . . ?
C15 C16 Si7 C20A 144.0(18) . . . . ?
C17 C16 Si7 C20A -32.7(19) . . . . ?
U2 C16 Si7 C20A -122.9(18) . . . . ?
C15 C16 Si7 C19B -37.2(10) . . . . ?
C17 C16 Si7 C19B 146.1(9) . . . . ?
U2 C16 Si7 C19B 55.9(10) . . . . ?
C15 C16 Si7 C20B 95.4(8) . . . . ?
C17 C16 Si7 C20B -81.4(9) . . . . ?
U2 C16 Si7 C20B -171.5(7) . . . . ?
C15 C16 Si7 C21 -160.5(9) . . . . ?
C17 C16 Si7 C21 22.7(9) . . . . ?
U2 C16 Si7 C21 -67.4(9) . . . . ?
C15 C16 Si7 C19A -73.9(15) . . . . ?
C17 C16 Si7 C19A 109.3(15) . . . . ?
U2 C16 Si7 C19A 19.2(15) . . . . ?
C13 C11 C10 C11 0.4(12) . . . 8_565 ?
C12 C11 C10 C11 178.7(7) . . . 8_565 ?
U1 C11 C10 C11 -68.9(8) . . . 8_565 ?
C13 C11 C10 C9 -173.2(9) . . . . ?
C12 C11 C10 C9 5.2(15) . . . . ?
U1 C11 C10 C9 117.6(9) . . . . ?
C13 C11 C10 U1 69.2(5) . . . . ?
C12 C11 C10 U1 -112.4(9) . . . . ?
C24 C23 C24 C26 0.4(12) 8_565 . . . ?
C22 C23 C24 C26 -172.7(8) . . . . ?
U2 C23 C24 C26 69.1(6) . . . . ?
C24 C23 C24 C25 179.5(7) 8_565 . . . ?
C22 C23 C24 C25 6.4(15) . . . . ?
U2 C23 C24 C25 -111.8(10) . . . . ?
C24 C23 C24 U2 -68.7(7) 8_565 . . . ?
C22 C23 C24 U2 118.2(9) . . . . ?
C10 C11 C13 C13 -0.2(7) . . . 8_565 ?
C12 C11 C13 C13 -178.5(8) . . . 8_565 ?
U1 C11 C13 C13 68.1(2) . . . 8_565 ?
C10 C11 C13 C14 170.7(9) . . . . ?
C12 C11 C13 C14 -7.6(15) . . . . ?
U1 C11 C13 C14 -120.9(9) . . . . ?
C10 C11 C13 U1 -68.4(6) . . . . ?
C12 C11 C13 U1 113.3(10) . . . . ?
C13 C13 C14 C29 106.9(15) 8_565 . . . ?
C11 C13 C14 C29 -62(2) . . . . ?
U1 C13 C14 C29 -155.1(13) . . . . ?
C23 C24 C26 C26 -0.3(7) . . . 8_565 ?
C25 C24 C26 C26 -179.3(9) . . . 8_565 ?
U2 C24 C26 C26 68.6(3) . . . 8_565 ?
C23 C24 C26 C27 170.2(9) . . . . ?
C25 C24 C26 C27 -8.8(16) . . . . ?
U2 C24 C26 C27 -120.9(10) . . . . ?
C23 C24 C26 U2 -68.9(6) . . . . ?
C25 C24 C26 U2 112.0(11) . . . . ?
C26 C26 C27 C28 111.8(16) 8_565 . . . ?
C24 C26 C27 C28 -57(2) . . . . ?
U2 C26 C27 C28 -150.3(14) . . . . ?

_refine_diff_density_max         3.098
_refine_diff_density_min         -2.390
_refine_diff_density_rms         0.193

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 1000015'
#######################################################################
#
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#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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data_12

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        12

_chemical_name_common            12
_chemical_melting_point          ?
_chemical_formula_moiety         'C106 H171 O6 Si8 U4'
_chemical_formula_sum            'C106 H171 O6 Si8 U4'
_chemical_formula_weight         2718.26
_chemical_compound_source        'synthesis as described'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   43.8503(11)
_cell_length_b                   10.3313(2)
_cell_length_c                   24.2758(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     10997.7(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9290
_cell_measurement_theta_min      3.1740
_cell_measurement_theta_max      27.8700

_exptl_crystal_description       Plate
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      not-measured
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_F_000             5340
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    6.009
_shelx_estimated_absorpt_T_min   0.380
_shelx_estimated_absorpt_T_max   0.889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.82474
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   
;
'CrysAlisPro, Agilent Technologies v. 1.171.36.24' 
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1033
_diffrn_reflns_number            26853
_diffrn_reflns_av_unetI/netI     0.0771
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.940
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             15780
_reflns_number_gt                13293
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.952
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.998

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
;

_computing_data_collection       
;
'CrysAlisPro, Agilent Technologies v. 1.171.36.24'
;
_computing_cell_refinement       
;
'CrysAlisPro, Agilent Technologies v. 1.171.36.24'
;
_computing_data_reduction        
;
'CrysAlisPro, Agilent Technologies v. 1.171.36.24'
;
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refined as a 2-component inversion twin.
the disordered atoms of the CpMe4iPr
 ligand have abnormal thermal ellipsoids
 resulting in level B alerts. 
Attempts to rectify this by restraining
 the afore mentioned parameters resulted in 
non-converging refinements (L.S. >  32)
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0215P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.363(9)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         15780
_refine_ls_number_parameters     1103
_refine_ls_number_restraints     154
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0449
_refine_ls_wR_factor_ref         0.0794
_refine_ls_wR_factor_gt          0.0736
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000

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 0.3715(4) 0.4734(11) 0.0063(7) 0.030(4) Uani 1 1 d . . . . .
C2 C 0.3753(3) 0.9653(12) 0.4829(7) 0.028(4) Uani 1 1 d . . . . .
C3 C 0.3479(2) 0.5822(10) 0.1468(6) 0.019(3) Uani 1 1 d . U . . .
H3 H 0.3398 0.6576 0.1299 0.023 Uiso 1 1 calc R U . . .
C4 C 0.3797(3) 0.5863(12) 0.1477(7) 0.030(4) Uani 1 1 d . . . . .
H4 H 0.3875 0.6643 0.1325 0.036 Uiso 1 1 calc R U . . .
C5 C 0.4032(3) 0.5028(12) 0.1657(6) 0.022(3) Uani 1 1 d . . . . .
C6 C 0.4030(3) 0.3822(14) 0.1905(7) 0.030(4) Uani 1 1 d . . . . .
H6 H 0.4227 0.3434 0.1921 0.037 Uiso 1 1 calc R U . . .
C7 C 0.3795(3) 0.3027(14) 0.2143(7) 0.031(4) Uani 1 1 d . . . . .
H7 H 0.3877 0.2343 0.2358 0.037 Uiso 1 1 calc R U . . .
C8 C 0.3484(3) 0.3008(13) 0.2138(6) 0.029(3) Uani 1 1 d . . . . .
H8 H 0.3405 0.2300 0.2344 0.035 Uiso 1 1 calc R U . . .
C9 C 0.3250(3) 0.3765(13) 0.1908(7) 0.031(4) Uani 1 1 d . . . . .
H9 H 0.3055 0.3378 0.1939 0.038 Uiso 1 1 calc R U . . .
C10 C 0.3243(3) 0.4981(13) 0.1638(6) 0.023(3) Uani 1 1 d . . . . .
C11 C 0.2818(3) 0.6311(14) 0.0781(8) 0.047(4) Uani 1 1 d . . . . .
H11A H 0.2851 0.5608 0.0516 0.070 Uiso 1 1 calc R U . . .
H11B H 0.2972 0.6985 0.0723 0.070 Uiso 1 1 calc R U . . .
H11C H 0.2615 0.6678 0.0726 0.070 Uiso 1 1 calc R U . . .
C12 C 0.2787(3) 0.7039(12) 0.1970(8) 0.042(4) Uani 1 1 d . . . . .
H12A H 0.2805 0.6731 0.2350 0.062 Uiso 1 1 calc R U . . .
H12B H 0.2583 0.7397 0.1911 0.062 Uiso 1 1 calc R U . . .
H12C H 0.2940 0.7712 0.1902 0.062 Uiso 1 1 calc R U . . .
C13 C 0.2539(3) 0.4460(12) 0.1619(7) 0.037(4) Uani 1 1 d . . . . .
H13A H 0.2565 0.3718 0.1372 0.055 Uiso 1 1 calc R U . . .
H13B H 0.2340 0.4866 0.1549 0.055 Uiso 1 1 calc R U . . .
H13C H 0.2548 0.4167 0.2002 0.055 Uiso 1 1 calc R U . . .
C14 C 0.4653(3) 0.5679(16) 0.2147(8) 0.061(5) Uani 1 1 d . . . . .
H14A H 0.4654 0.4827 0.2324 0.092 Uiso 1 1 calc R U . . .
H14B H 0.4555 0.6310 0.2391 0.092 Uiso 1 1 calc R U . . .
H14C H 0.4863 0.5948 0.2073 0.092 Uiso 1 1 calc R U . . .
C15 C 0.4446(3) 0.7208(13) 0.1169(10) 0.063(6) Uani 1 1 d . . . . .
H15A H 0.4332 0.7192 0.0823 0.095 Uiso 1 1 calc R U . . .
H15B H 0.4658 0.7457 0.1096 0.095 Uiso 1 1 calc R U . . .
H15C H 0.4353 0.7837 0.1421 0.095 Uiso 1 1 calc R U . . .
C16 C 0.4637(3) 0.4448(13) 0.1015(10) 0.054(5) Uani 1 1 d . . . . .
H16A H 0.4635 0.3577 0.1174 0.081 Uiso 1 1 calc R U . . .
H16B H 0.4849 0.4733 0.0964 0.081 Uiso 1 1 calc R U . . .
H16C H 0.4533 0.4436 0.0658 0.081 Uiso 1 1 calc R U . . .
C17 C 0.2830(3) 0.2469(15) 0.0479(9) 0.050(5) Uani 1 1 d . . . . .
H17A H 0.2905 0.3289 0.0630 0.075 Uiso 1 1 calc R U . . .
H17B H 0.2761 0.1911 0.0781 0.075 Uiso 1 1 calc R U . . .
H17C H 0.2660 0.2640 0.0228 0.075 Uiso 1 1 calc R U . . .
C18 C 0.3086(3) 0.1794(12) 0.0165(7) 0.036(4) Uani 1 1 d . . . . .
C19 C 0.2967(4) 0.0549(15) -0.0075(9) 0.066(6) Uani 1 1 d . . . . .
H19A H 0.3130 0.0114 -0.0280 0.099 Uiso 1 1 calc R U . . .
H19B H 0.2797 0.0738 -0.0325 0.099 Uiso 1 1 calc R U . . .
H19C H 0.2896 -0.0016 0.0222 0.099 Uiso 1 1 calc R U . . .
C20 C 0.3123(3) 0.0555(14) 0.1430(8) 0.051(5) Uani 1 1 d . . . . .
H20A H 0.3205 0.0310 0.1791 0.076 Uiso 1 1 calc R U . . .
H20B H 0.3026 -0.0198 0.1259 0.076 Uiso 1 1 calc R U . . .
H20C H 0.2972 0.1246 0.1476 0.076 Uiso 1 1 calc R U . . .
C21 C 0.3825(4) 0.0100(13) 0.1664(8) 0.049(5) Uani 1 1 d . . . . .
H21A H 0.3663 -0.0021 0.1937 0.074 Uiso 1 1 calc R U . . .
H21B H 0.3995 0.0576 0.1831 0.074 Uiso 1 1 calc R U . . .
H21C H 0.3897 -0.0746 0.1536 0.074 Uiso 1 1 calc R U . . .
C22 C 0.4214(3) 0.1211(13) 0.0694(8) 0.046(5) Uani 1 1 d . . . . .
H22A H 0.4294 0.0885 0.1045 0.069 Uiso 1 1 calc R U . . .
H22B H 0.4291 0.2089 0.0630 0.069 Uiso 1 1 calc R U . . .
H22C H 0.4281 0.0644 0.0394 0.069 Uiso 1 1 calc R U . . .
C23 C 0.3748(3) 0.1906(13) -0.0280(7) 0.030(3) Uani 1 1 d . . . . .
H23A H 0.3563 0.2162 -0.0479 0.045 Uiso 1 1 calc R U . . .
H23B H 0.3835 0.1129 -0.0451 0.045 Uiso 1 1 calc R U . . .
H23C H 0.3898 0.2610 -0.0295 0.045 Uiso 1 1 calc R U . . .
C24 C 0.3869(3) 0.1234(12) 0.0716(8) 0.033(4) Uani 1 1 d . . . . .
C25 C 0.3670(3) 0.1624(11) 0.0309(7) 0.023(4) Uani 1 1 d . . . . .
C26 C 0.3371(3) 0.1493(12) 0.0526(6) 0.025(3) Uani 1 1 d . . . . .
C27 C 0.3386(3) 0.1040(11) 0.1058(9) 0.038(3) Uani 1 1 d . U . . .
C28 C 0.3702(4) 0.0859(12) 0.1181(8) 0.046(5) Uani 1 1 d . . . . .
C29 C 0.3673(3) 0.4015(12) -0.1621(7) 0.027(3) Uani 1 1 d . U . . .
H29 H 0.3578 0.3234 -0.1505 0.032 Uiso 1 1 calc R U . . .
C30 C 0.3453(3) 0.4917(12) -0.1828(6) 0.022(3) Uani 1 1 d . . . . .
C31 C 0.3992(3) 0.3968(11) -0.1543(6) 0.026(3) Uani 1 1 d . . . . .
H31 H 0.4055 0.3171 -0.1384 0.032 Uiso 1 1 calc R U . . .
C32 C 0.4243(3) 0.4800(11) -0.1641(7) 0.023(3) Uani 1 1 d . U . . .
C33 C 0.4260(3) 0.5987(12) -0.1925(6) 0.026(3) Uani 1 1 d . . . . .
H33 H 0.4463 0.6306 -0.1935 0.032 Uiso 1 1 calc R U . . .
C34 C 0.4059(4) 0.6828(13) -0.2198(7) 0.038(4) Uani 1 1 d . . . . .
H34 H 0.4160 0.7530 -0.2372 0.046 Uiso 1 1 calc R U . . .
C35 C 0.3737(3) 0.6862(13) -0.2271(7) 0.029(4) Uani 1 1 d . U . . .
H35 H 0.3672 0.7604 -0.2470 0.035 Uiso 1 1 calc R U . . .
C36 C 0.3494(3) 0.6065(14) -0.2120(6) 0.031(4) Uani 1 1 d . . . . .
H36 H 0.3306 0.6394 -0.2252 0.037 Uiso 1 1 calc R U . . .
C37 C 0.4594(3) 0.3580(15) -0.0664(8) 0.052(5) Uani 1 1 d . . . . .
H37A H 0.4553 0.4342 -0.0435 0.078 Uiso 1 1 calc R U . . .
H37B H 0.4789 0.3192 -0.0554 0.078 Uiso 1 1 calc R U . . .
H37C H 0.4430 0.2946 -0.0615 0.078 Uiso 1 1 calc R U . . .
C38 C 0.4695(3) 0.2656(14) -0.1831(8) 0.049(5) Uani 1 1 d . . . . .
H38A H 0.4705 0.2921 -0.2218 0.074 Uiso 1 1 calc R U . . .
H38B H 0.4532 0.2014 -0.1784 0.074 Uiso 1 1 calc R U . . .
H38C H 0.4890 0.2277 -0.1721 0.074 Uiso 1 1 calc R U . . .
C39 C 0.4942(3) 0.5205(15) -0.1474(9) 0.048(5) Uani 1 1 d . . . . .
H39A H 0.4959 0.5482 -0.1859 0.073 Uiso 1 1 calc R U . . .
H39B H 0.5130 0.4766 -0.1363 0.073 Uiso 1 1 calc R U . . .
H39C H 0.4909 0.5964 -0.1238 0.073 Uiso 1 1 calc R U . . .
C40 C 0.2763(3) 0.5613(13) -0.1937(8) 0.045(4) Uani 1 1 d . . . . .
H40A H 0.2780 0.6321 -0.1669 0.068 Uiso 1 1 calc R U . . .
H40B H 0.2557 0.5240 -0.1918 0.068 Uiso 1 1 calc R U . . .
H40C H 0.2800 0.5948 -0.2308 0.068 Uiso 1 1 calc R U . . .
C41 C 0.2969(3) 0.3657(15) -0.1081(7) 0.053(5) Uani 1 1 d . . . . .
H41A H 0.2986 0.4340 -0.0802 0.080 Uiso 1 1 calc R U . . .
H41B H 0.3117 0.2972 -0.1002 0.080 Uiso 1 1 calc R U . . .
H41C H 0.2763 0.3295 -0.1074 0.080 Uiso 1 1 calc R U . . .
C42 C 0.3012(3) 0.3038(14) -0.2293(8) 0.055(5) Uani 1 1 d . . . . .
H42A H 0.2804 0.2693 -0.2287 0.082 Uiso 1 1 calc R U . . .
H42B H 0.3157 0.2344 -0.2206 0.082 Uiso 1 1 calc R U . . .
H42C H 0.3057 0.3385 -0.2660 0.082 Uiso 1 1 calc R U . . .
C43 C 0.4428(4) 0.7302(15) -0.0480(9) 0.069(7) Uani 1 1 d . . . . .
H43A H 0.4626 0.7343 -0.0290 0.103 Uiso 1 1 calc R U . . .
H43B H 0.4461 0.7110 -0.0871 0.103 Uiso 1 1 calc R U . . .
H43C H 0.4303 0.6620 -0.0314 0.103 Uiso 1 1 calc R U . . .
C44 C 0.4265(3) 0.8606(12) -0.0423(8) 0.047(5) Uani 1 1 d . . . . .
H44 H 0.4232 0.8760 -0.0021 0.057 Uiso 1 1 calc R U . . .
C45 C 0.4486(4) 0.9667(16) -0.0629(9) 0.070(6) Uani 1 1 d . . . . .
H45A H 0.4678 0.9614 -0.0424 0.106 Uiso 1 1 calc R U . . .
H45B H 0.4393 1.0521 -0.0572 0.106 Uiso 1 1 calc R U . . .
H45C H 0.4526 0.9541 -0.1023 0.106 Uiso 1 1 calc R U . . .
C46 C 0.3686(3) 0.7755(13) 0.0194(7) 0.033(4) Uani 1 1 d . . . . .
H46A H 0.3893 0.7778 0.0348 0.050 Uiso 1 1 calc R U . . .
H46B H 0.3600 0.6887 0.0243 0.050 Uiso 1 1 calc R U . . .
H46C H 0.3558 0.8388 0.0386 0.050 Uiso 1 1 calc R U . . .
C47 C 0.3134(3) 0.7577(13) -0.0630(7) 0.043(4) Uani 1 1 d . . . . .
H47A H 0.2998 0.7750 -0.0942 0.064 Uiso 1 1 calc R U . . .
H47B H 0.3051 0.7988 -0.0298 0.064 Uiso 1 1 calc R U . . .
H47C H 0.3149 0.6641 -0.0571 0.064 Uiso 1 1 calc R U . . .
C48 C 0.3325(3) 0.9189(14) -0.1707(8) 0.055(5) Uani 1 1 d . . . . .
H48A H 0.3120 0.8849 -0.1641 0.083 Uiso 1 1 calc R U . . .
H48B H 0.3399 0.8888 -0.2066 0.083 Uiso 1 1 calc R U . . .
H48C H 0.3319 1.0137 -0.1703 0.083 Uiso 1 1 calc R U . . .
C49 C 0.4023(4) 0.9735(14) -0.1661(8) 0.060(5) Uani 1 1 d . . . . .
H49A H 0.4237 0.9845 -0.1558 0.090 Uiso 1 1 calc R U . . .
H49B H 0.3928 1.0587 -0.1706 0.090 Uiso 1 1 calc R U . . .
H49C H 0.4010 0.9256 -0.2009 0.090 Uiso 1 1 calc R U . . .
C50 C 0.3955(4) 0.8575(13) -0.0690(8) 0.040(4) Uani 1 1 d . . . . .
C51 C 0.3858(3) 0.8990(11) -0.1213(10) 0.038(4) Uani 1 1 d . . . . .
C52 C 0.3539(3) 0.8712(12) -0.1258(9) 0.043(4) Uani 1 1 d . . . . .
C53 C 0.3446(4) 0.8120(13) -0.0750(8) 0.040(4) Uani 1 1 d . . . . .
C54 C 0.3698(3) 0.8079(12) -0.0409(7) 0.029(4) Uani 1 1 d . . . . .
C55 C 0.3841(3) 1.0683(11) 0.3396(7) 0.021(3) Uani 1 1 d . . . . .
H55 H 0.3934 1.1464 0.3517 0.025 Uiso 1 1 calc R U . . .
C56 C 0.3527(3) 1.0780(11) 0.3436(7) 0.029(4) Uani 1 1 d . . . . .
H56 H 0.3468 1.1599 0.3578 0.035 Uiso 1 1 calc R U . . .
C57 C 0.3268(3) 1.0001(12) 0.3324(7) 0.029(4) Uani 1 1 d . . . . .
C58 C 0.3248(3) 0.8827(12) 0.3014(6) 0.028(3) Uani 1 1 d . . . . .
H58 H 0.3044 0.8538 0.2967 0.034 Uiso 1 1 calc R U . . .
C59 C 0.3464(4) 0.7999(14) 0.2760(7) 0.039(4) Uani 1 1 d . . . . .
H59 H 0.3366 0.7358 0.2542 0.046 Uiso 1 1 calc R U . . .
C60 C 0.3776(3) 0.7868(14) 0.2743(6) 0.028(3) Uani 1 1 d . . . . .
H60 H 0.3839 0.7092 0.2565 0.033 Uiso 1 1 calc R U . . .
C61 C 0.4017(3) 0.8588(14) 0.2921(7) 0.029(4) Uani 1 1 d . . . . .
H61 H 0.4205 0.8204 0.2814 0.035 Uiso 1 1 calc R U . . .
C62 C 0.4069(3) 0.9782(12) 0.3230(6) 0.026(3) Uani 1 1 d . . . . .
C63 C 0.4639(3) 0.9130(14) 0.3882(8) 0.048(5) Uani 1 1 d . . . . .
H63A H 0.4855 0.9349 0.3931 0.072 Uiso 1 1 calc R U . . .
H63B H 0.4621 0.8219 0.3775 0.072 Uiso 1 1 calc R U . . .
H63C H 0.4530 0.9276 0.4228 0.072 Uiso 1 1 calc R U . . .
C64 C 0.4522(3) 1.1893(14) 0.3499(10) 0.074(7) Uani 1 1 d . . . . .
H64A H 0.4739 1.2083 0.3553 0.112 Uiso 1 1 calc R U . . .
H64B H 0.4410 1.2102 0.3836 0.112 Uiso 1 1 calc R U . . .
H64C H 0.4443 1.2416 0.3194 0.112 Uiso 1 1 calc R U . . .
C65 C 0.4689(3) 0.9876(18) 0.2693(9) 0.073(7) Uani 1 1 d . . . . .
H65A H 0.4905 1.0083 0.2753 0.109 Uiso 1 1 calc R U . . .
H65B H 0.4607 1.0428 0.2400 0.109 Uiso 1 1 calc R U . . .
H65C H 0.4670 0.8965 0.2586 0.109 Uiso 1 1 calc R U . . .
C66 C 0.2826(3) 1.2149(13) 0.3016(7) 0.041(4) Uani 1 1 d . . . . .
H66A H 0.2993 1.2775 0.3040 0.061 Uiso 1 1 calc R U . . .
H66B H 0.2633 1.2580 0.3107 0.061 Uiso 1 1 calc R U . . .
H66C H 0.2815 1.1803 0.2640 0.061 Uiso 1 1 calc R U . . .
C67 C 0.2565(3) 0.9690(13) 0.3451(8) 0.049(5) Uani 1 1 d . . . . .
H67A H 0.2591 0.8963 0.3706 0.074 Uiso 1 1 calc R U . . .
H67B H 0.2553 0.9361 0.3073 0.074 Uiso 1 1 calc R U . . .
H67C H 0.2378 1.0158 0.3542 0.074 Uiso 1 1 calc R U . . .
C68 C 0.2910(3) 1.1481(14) 0.4229(7) 0.045(4) Uani 1 1 d . . . . .
H68A H 0.2948 1.0781 0.4493 0.068 Uiso 1 1 calc R U . . .
H68B H 0.2716 1.1902 0.4315 0.068 Uiso 1 1 calc R U . . .
H68C H 0.3076 1.2117 0.4252 0.068 Uiso 1 1 calc R U . . .
C69A C 0.4007(8) 0.523(3) 0.3397(17) 0.061(4) Uani 0.561(19) 1 d . U P A 1
H69A H 0.4207 0.5378 0.3566 0.092 Uiso 0.561(19) 1 calc R U P A 1
H69B H 0.3999 0.5660 0.3038 0.092 Uiso 0.561(19) 1 calc R U P A 1
H69C H 0.3975 0.4296 0.3348 0.092 Uiso 0.561(19) 1 calc R U P A 1
C70A C 0.3330(8) 0.516(3) 0.3308(17) 0.061(4) Uani 0.561(19) 1 d . U P A 1
H70A H 0.3107 0.5220 0.3306 0.092 Uiso 0.561(19) 1 calc R U P A 1
H70B H 0.3390 0.4245 0.3341 0.092 Uiso 0.561(19) 1 calc R U P A 1
H70C H 0.3412 0.5514 0.2965 0.092 Uiso 0.561(19) 1 calc R U P A 1
C74A C 0.3726(9) 0.681(3) 0.5176(18) 0.061(4) Uani 0.561(19) 1 d . U P A 1
H74A H 0.3950 0.6825 0.5188 0.092 Uiso 0.561(19) 1 calc R U P A 1
H74B H 0.3650 0.6140 0.5426 0.092 Uiso 0.561(19) 1 calc R U P A 1
H74C H 0.3647 0.7655 0.5290 0.092 Uiso 0.561(19) 1 calc R U P A 1
C75A C 0.4183(8) 0.637(3) 0.4629(17) 0.061(4) Uani 0.561(19) 1 d . U P A 1
H75A H 0.4361 0.6153 0.4403 0.092 Uiso 0.561(19) 1 calc R U P A 1
H75B H 0.4177 0.5801 0.4952 0.092 Uiso 0.561(19) 1 calc R U P A 1
H75C H 0.4197 0.7272 0.4749 0.092 Uiso 0.561(19) 1 calc R U P A 1
C69B C 0.3857(11) 0.493(4) 0.319(2) 0.061(4) Uani 0.439(19) 1 d . U P A 2
H69D H 0.4079 0.4839 0.3170 0.092 Uiso 0.439(19) 1 calc R U P A 2
H69E H 0.3785 0.5405 0.2864 0.092 Uiso 0.439(19) 1 calc R U P A 2
H69F H 0.3762 0.4076 0.3200 0.092 Uiso 0.439(19) 1 calc R U P A 2
C70B C 0.3147(10) 0.549(3) 0.342(2) 0.061(4) Uani 0.439(19) 1 d . U P A 2
H70D H 0.2967 0.5794 0.3624 0.092 Uiso 0.439(19) 1 calc R U P A 2
H70E H 0.3137 0.4552 0.3376 0.092 Uiso 0.439(19) 1 calc R U P A 2
H70F H 0.3154 0.5909 0.3060 0.092 Uiso 0.439(19) 1 calc R U P A 2
C74B C 0.3534(11) 0.703(3) 0.517(2) 0.061(4) Uani 0.439(19) 1 d . U P A 2
H74D H 0.3719 0.7163 0.5391 0.092 Uiso 0.439(19) 1 calc R U P A 2
H74E H 0.3402 0.6400 0.5356 0.092 Uiso 0.439(19) 1 calc R U P A 2
H74F H 0.3425 0.7855 0.5134 0.092 Uiso 0.439(19) 1 calc R U P A 2
C75B C 0.4208(10) 0.595(4) 0.425(2) 0.061(4) Uani 0.439(19) 1 d . U P A 2
H75D H 0.4274 0.5743 0.3878 0.092 Uiso 0.439(19) 1 calc R U P A 2
H75E H 0.4259 0.5226 0.4499 0.092 Uiso 0.439(19) 1 calc R U P A 2
H75F H 0.4312 0.6733 0.4380 0.092 Uiso 0.439(19) 1 calc R U P A 2
C71A C 0.2894(9) 0.523(2) 0.471(2) 0.076(5) Uani 0.61(4) 1 d D U P B 3
H71A H 0.3036 0.4559 0.4835 0.114 Uiso 0.61(4) 1 calc R U P B 3
H71B H 0.2815 0.4985 0.4344 0.114 Uiso 0.61(4) 1 calc R U P B 3
H71C H 0.2724 0.5299 0.4968 0.114 Uiso 0.61(4) 1 calc R U P B 3
C72A C 0.3063(6) 0.655(3) 0.467(2) 0.076(5) Uani 0.61(4) 1 d D U P B 3
H72A H 0.3135 0.6767 0.5046 0.091 Uiso 0.61(4) 1 calc R U P B 3
C73A C 0.2864(4) 0.7511(18) 0.4510(10) 0.076(5) Uani 0.61(4) 1 d D U P B 3
H73A H 0.2692 0.7544 0.4769 0.114 Uiso 0.61(4) 1 calc R U P B 3
H73B H 0.2787 0.7329 0.4139 0.114 Uiso 0.61(4) 1 calc R U P B 3
H73C H 0.2970 0.8345 0.4511 0.114 Uiso 0.61(4) 1 calc R U P B 3
C71B C 0.2860(14) 0.510(3) 0.438(3) 0.076(5) Uani 0.39(4) 1 d D U P B 4
H71D H 0.2979 0.4447 0.4185 0.114 Uiso 0.39(4) 1 calc R U P B 4
H71E H 0.2651 0.5109 0.4242 0.114 Uiso 0.39(4) 1 calc R U P B 4
H71F H 0.2859 0.4905 0.4777 0.114 Uiso 0.39(4) 1 calc R U P B 4
C72B C 0.3005(11) 0.644(3) 0.429(3) 0.076(5) Uani 0.39(4) 1 d D U P B 4
H72B H 0.2966 0.6575 0.3889 0.091 Uiso 0.39(4) 1 calc R U P B 4
C73B C 0.2864(4) 0.7511(18) 0.4510(10) 0.076(5) Uani 0.39(4) 1 d D U P B 4
H73D H 0.2644 0.7459 0.4440 0.114 Uiso 0.39(4) 1 calc R U P B 4
H73E H 0.2946 0.8296 0.4338 0.114 Uiso 0.39(4) 1 calc R U P B 4
H73F H 0.2900 0.7541 0.4908 0.114 Uiso 0.39(4) 1 calc R U P B 4
C76 C 0.3869(4) 0.6167(17) 0.4262(12) 0.059(7) Uani 1 1 d . . . . .
C77 C 0.3763(6) 0.5762(13) 0.3762(12) 0.072(7) Uani 1 1 d . . . . .
C78 C 0.3448(5) 0.5863(13) 0.3762(10) 0.060(5) Uani 1 1 d . . . . .
C79 C 0.3359(4) 0.6334(15) 0.4298(10) 0.052(6) Uani 1 1 d . . . . .
C80 C 0.3622(5) 0.6516(13) 0.4593(8) 0.046(5) Uani 1 1 d . . . . .
C81 C 0.3714(3) 0.8838(11) 0.6429(7) 0.025(3) Uani 1 1 d . . . . .
H81 H 0.3620 0.8089 0.6278 0.030 Uiso 1 1 calc R U . . .
C82A C 0.3845(12) 1.265(4) 0.468(2) 0.053(4) Uani 0.40(3) 1 d . U P C 5
H82A H 0.4055 1.2509 0.4557 0.079 Uiso 0.40(3) 1 calc R U P C 5
H82B H 0.3749 1.3326 0.4460 0.079 Uiso 0.40(3) 1 calc R U P C 5
H82C H 0.3729 1.1842 0.4645 0.079 Uiso 0.40(3) 1 calc R U P C 5
C85A C 0.3382(11) 1.392(4) 0.592(2) 0.053(4) Uani 0.40(3) 1 d . U P C 5
H85A H 0.3247 1.3677 0.5616 0.079 Uiso 0.40(3) 1 calc R U P C 5
H85B H 0.3379 1.4865 0.5965 0.079 Uiso 0.40(3) 1 calc R U P C 5
H85C H 0.3312 1.3508 0.6260 0.079 Uiso 0.40(3) 1 calc R U P C 5
C86A C 0.3878(12) 1.457(4) 0.681(2) 0.053(4) Uani 0.40(3) 1 d . U P C 5
H86A H 0.4084 1.4554 0.6966 0.079 Uiso 0.40(3) 1 calc R U P C 5
H86B H 0.3736 1.4131 0.7055 0.079 Uiso 0.40(3) 1 calc R U P C 5
H86C H 0.3813 1.5468 0.6753 0.079 Uiso 0.40(3) 1 calc R U P C 5
C89A C 0.4502(11) 1.361(4) 0.633(2) 0.053(4) Uani 0.40(3) 1 d . U P C 5
H89A H 0.4655 1.3304 0.6062 0.079 Uiso 0.40(3) 1 calc R U P C 5
H89B H 0.4506 1.3064 0.6656 0.079 Uiso 0.40(3) 1 calc R U P C 5
H89C H 0.4548 1.4508 0.6430 0.079 Uiso 0.40(3) 1 calc R U P C 5
C82B C 0.3688(8) 1.286(3) 0.4788(17) 0.053(4) Uani 0.60(3) 1 d . U P C 6
H82D H 0.3837 1.2588 0.4511 0.079 Uiso 0.60(3) 1 calc R U P C 6
H82E H 0.3587 1.3654 0.4667 0.079 Uiso 0.60(3) 1 calc R U P C 6
H82F H 0.3535 1.2173 0.4835 0.079 Uiso 0.60(3) 1 calc R U P C 6
C85B C 0.3344(8) 1.352(3) 0.5726(16) 0.053(4) Uani 0.60(3) 1 d . U P C 6
H85D H 0.3289 1.3202 0.5359 0.079 Uiso 0.60(3) 1 calc R U P C 6
H85E H 0.3271 1.4410 0.5770 0.079 Uiso 0.60(3) 1 calc R U P C 6
H85F H 0.3251 1.2966 0.6007 0.079 Uiso 0.60(3) 1 calc R U P C 6
C86B C 0.3723(8) 1.452(2) 0.6669(15) 0.053(4) Uani 0.60(3) 1 d . U P C 6
H86D H 0.3872 1.4734 0.6955 0.079 Uiso 0.60(3) 1 calc R U P C 6
H86E H 0.3563 1.3965 0.6824 0.079 Uiso 0.60(3) 1 calc R U P C 6
H86F H 0.3631 1.5317 0.6527 0.079 Uiso 0.60(3) 1 calc R U P C 6
C89B C 0.4418(8) 1.403(3) 0.6443(15) 0.053(4) Uani 0.60(3) 1 d . U P C 6
H89D H 0.4619 1.3783 0.6305 0.079 Uiso 0.60(3) 1 calc R U P C 6
H89E H 0.4386 1.3649 0.6808 0.079 Uiso 0.60(3) 1 calc R U P C 6
H89F H 0.4404 1.4974 0.6469 0.079 Uiso 0.60(3) 1 calc R U P C 6
C83 C 0.4032(3) 0.8763(13) 0.6405(7) 0.034(4) Uani 1 1 d . . . . .
H83 H 0.4092 0.7988 0.6225 0.040 Uiso 1 1 calc R U . . .
C84 C 0.4294(3) 0.9484(12) 0.6566(6) 0.025(3) Uani 1 1 d . . . . .
C87 C 0.4308(3) 1.0663(15) 0.6863(7) 0.039(4) Uani 1 1 d . . . . .
H87 H 0.4511 1.0980 0.6898 0.047 Uiso 1 1 calc R U . . .
C88 C 0.4090(3) 1.1481(13) 0.7121(7) 0.034(4) Uani 1 1 d . . . . .
H88 H 0.4187 1.2140 0.7332 0.040 Uiso 1 1 calc R U . . .
C90 C 0.4543(4) 1.1397(16) 0.5160(8) 0.071(6) Uani 1 1 d . . . . .
H90A H 0.4708 1.1288 0.4892 0.107 Uiso 1 1 calc R U . . .
H90B H 0.4376 1.0799 0.5072 0.107 Uiso 1 1 calc R U . . .
H90C H 0.4620 1.1210 0.5531 0.107 Uiso 1 1 calc R U . . .
C91 C 0.3789(3) 1.1572(14) 0.7147(7) 0.033(4) Uani 1 1 d . . . . .
H91 H 0.3727 1.2244 0.7389 0.040 Uiso 1 1 calc R U . . .
C92 C 0.3531(3) 1.0919(14) 0.6904(8) 0.038(4) Uani 1 1 d . . . . .
H92 H 0.3344 1.1377 0.6946 0.045 Uiso 1 1 calc R U . . .
C93 C 0.4689(4) 1.3717(18) 0.5068(11) 0.091(8) Uani 1 1 d . . . . .
H93A H 0.4838 1.3363 0.4806 0.137 Uiso 1 1 calc R U . . .
H93B H 0.4789 1.3860 0.5424 0.137 Uiso 1 1 calc R U . . .
H93C H 0.4610 1.4540 0.4927 0.137 Uiso 1 1 calc R U . . .
C94 C 0.3499(3) 0.9732(12) 0.6617(7) 0.027(3) Uani 1 1 d . . . . .
C95 C 0.4427(6) 1.2763(18) 0.5138(11) 0.101(9) Uani 1 1 d . . . . .
H95 H 0.4332 1.2787 0.4764 0.122 Uiso 1 1 calc R U . . .
C96 C 0.2816(3) 0.9985(14) 0.6946(8) 0.051(5) Uani 1 1 d . . . . .
H96A H 0.2607 0.9762 0.6842 0.076 Uiso 1 1 calc R U . . .
H96B H 0.2838 1.0928 0.6961 0.076 Uiso 1 1 calc R U . . .
H96C H 0.2863 0.9615 0.7308 0.076 Uiso 1 1 calc R U . . .
C97 C 0.3848(5) 1.3095(15) 0.5332(9) 0.049(5) Uani 1 1 d . . . . .
C98 C 0.3701(5) 1.3489(15) 0.5792(11) 0.066(6) Uani 1 1 d . . . . .
C99 C 0.2972(4) 1.0001(17) 0.5736(9) 0.070(6) Uani 1 1 d . . . . .
H99A H 0.3110 0.9672 0.5451 0.105 Uiso 1 1 calc R U . . .
H99B H 0.2984 1.0947 0.5749 0.105 Uiso 1 1 calc R U . . .
H99C H 0.2763 0.9739 0.5651 0.105 Uiso 1 1 calc R U . . .
C100 C 0.3882(4) 1.3809(13) 0.6201(8) 0.046(5) Uani 1 1 d . . . . .
C101 C 0.3048(3) 0.7512(13) 0.6430(9) 0.061(6) Uani 1 1 d . . . . .
H10A H 0.3188 0.7136 0.6159 0.091 Uiso 1 1 calc R U . . .
H10B H 0.2838 0.7274 0.6335 0.091 Uiso 1 1 calc R U . . .
H10C H 0.3097 0.7182 0.6797 0.091 Uiso 1 1 calc R U . . .
C102 C 0.4180(3) 1.3548(11) 0.6060(8) 0.041(4) Uani 1 1 d . . . . .
C103 C 0.4635(4) 0.7808(16) 0.5710(8) 0.059(5) Uani 1 1 d . . . . .
H10D H 0.4832 0.7414 0.5620 0.088 Uiso 1 1 calc R U . . .
H10E H 0.4576 0.8410 0.5417 0.088 Uiso 1 1 calc R U . . .
H10F H 0.4480 0.7129 0.5744 0.088 Uiso 1 1 calc R U . . .
C104 C 0.4753(3) 0.7516(15) 0.6933(8) 0.050(5) Uani 1 1 d . . . . .
H10G H 0.4946 0.7078 0.6852 0.076 Uiso 1 1 calc R U . . .
H10H H 0.4588 0.6875 0.6954 0.076 Uiso 1 1 calc R U . . .
H10I H 0.4769 0.7972 0.7285 0.076 Uiso 1 1 calc R U . . .
C105 C 0.4168(4) 1.3092(13) 0.5485(7) 0.044(5) Uani 1 1 d . . . . .
C106 C 0.4986(3) 0.9890(19) 0.6313(10) 0.062(5) Uani 1 1 d . . . . .
H10J H 0.5173 0.9433 0.6211 0.092 Uiso 1 1 calc R U . . .
H10K H 0.5015 1.0330 0.6666 0.092 Uiso 1 1 calc R U . . .
H10L H 0.4936 1.0529 0.6028 0.092 Uiso 1 1 calc R U . . .
O1 O 0.3756(3) 0.5256(9) -0.0421(5) 0.040(3) Uani 1 1 d . . . . .
O2 O 0.3946(2) 0.4358(8) 0.0337(4) 0.024(2) Uani 1 1 d . . . . .
O3 O 0.3451(2) 0.4504(8) 0.0256(4) 0.029(2) Uani 1 1 d . . . . .
O4 O 0.3481(2) 0.9494(9) 0.4635(5) 0.036(3) Uani 1 1 d . . . . .
O5 O 0.3971(2) 0.9236(9) 0.4545(5) 0.036(3) Uani 1 1 d . . . . .
O6 O 0.3789(3) 1.0254(9) 0.5286(5) 0.052(3) Uani 1 1 d . . . . .
Si1 Si 0.44378(8) 0.5586(4) 0.1487(2) 0.0341(11) Uani 1 1 d . . . . .
Si2 Si 0.28507(8) 0.5670(4) 0.14897(19) 0.0275(9) Uani 1 1 d . . . . .
Si3 Si 0.46136(8) 0.4072(3) -0.13996(19) 0.0295(10) Uani 1 1 d . . . . .
Si4 Si 0.30475(8) 0.4350(4) -0.1774(2) 0.0329(10) Uani 1 1 d . . . . .
Si5 Si 0.28945(8) 1.0796(4) 0.35111(19) 0.0300(10) Uani 1 1 d . . . . .
Si6 Si 0.44740(9) 1.0161(4) 0.3337(2) 0.0381(12) Uani 1 1 d . . . . .
Si7 Si 0.46663(8) 0.8703(4) 0.6375(2) 0.0412(11) Uani 1 1 d . . . . .
Si8 Si 0.30861(8) 0.9317(4) 0.6424(2) 0.0324(10) Uani 1 1 d . . . . .
U1 U 0.36426(2) 0.35117(4) 0.10805(2) 0.02039(11) Uani 1 1 d . . . . .
U2 U 0.38130(2) 0.63239(4) -0.12032(3) 0.02244(11) Uani 1 1 d . . . . .
U3 U 0.36553(2) 0.83998(4) 0.38075(2) 0.02200(11) Uani 1 1 d . . . . .
U4 U 0.39082(2) 1.11435(4) 0.60758(3) 0.02326(11) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O2 1.273(18) . ?
C1 O3 1.270(17) . ?
C1 O1 1.307(19) . ?
C1 U1 2.791(16) . ?
C2 O5 1.256(16) . ?
C2 O6 1.281(19) . ?
C2 O4 1.290(17) . ?
C2 U3 2.830(18) . ?
C3 C4 1.397(17) . ?
C3 C10 1.411(17) . ?
C3 U1 2.664(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.413(17) . ?
C4 U1 2.700(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(18) . ?
C5 Si1 1.915(13) . ?
C5 U1 2.708(12) . ?
C6 C7 1.44(2) . ?
C6 U1 2.645(15) . ?
C6 H6 0.9500 . ?
C7 C8 1.364(19) . ?
C7 U1 2.711(18) . ?
C7 H7 0.9500 . ?
C8 C9 1.405(19) . ?
C8 U1 2.711(15) . ?
C8 H8 0.9500 . ?
C9 C10 1.417(19) . ?
C9 U1 2.657(15) . ?
C9 H9 0.9500 . ?
C10 Si2 1.898(13) . ?
C10 U1 2.683(13) . ?
C11 Si2 1.850(18) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si2 1.853(15) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si2 1.880(12) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 Si1 1.862(18) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 Si1 1.845(16) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 Si1 1.861(18) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.53(2) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.508(18) . ?
C18 C26 1.557(19) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C27 1.55(2) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C28 1.51(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.517(19) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C25 1.50(2) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.38(2) . ?
C24 C28 1.40(2) . ?
C24 U1 2.702(13) . ?
C25 C26 1.415(18) . ?
C25 U1 2.706(14) . ?
C26 C27 1.38(3) . ?
C26 U1 2.753(13) . ?
C27 C28 1.43(2) . ?
C27 U1 2.792(11) . ?
C28 U1 2.764(12) . ?
C29 C31 1.413(17) . ?
C29 C30 1.431(17) . ?
C29 U2 2.665(13) . ?
C29 H29 0.9500 . ?
C30 C36 1.394(19) . ?
C30 Si4 1.878(13) . ?
C30 U2 2.627(13) . ?
C31 C32 1.417(17) . ?
C31 U2 2.687(12) . ?
C31 H31 0.9500 . ?
C32 C33 1.410(18) . ?
C32 Si3 1.883(13) . ?
C32 U2 2.677(11) . ?
C33 C34 1.40(2) . ?
C33 U2 2.652(13) . ?
C33 H33 0.9500 . ?
C34 C35 1.42(2) . ?
C34 U2 2.695(16) . ?
C34 H34 0.9500 . ?
C35 C36 1.39(2) . ?
C35 U2 2.672(16) . ?
C35 H35 0.9500 . ?
C36 U2 2.642(15) . ?
C36 H36 0.9500 . ?
C37 Si3 1.858(19) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 Si3 1.833(15) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 Si3 1.864(14) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 Si4 1.850(13) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 Si4 1.859(16) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 Si4 1.857(17) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.532(19) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C50 1.50(2) . ?
C44 C45 1.55(2) . ?
C44 H44 1.0000 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C54 1.50(2) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C53 1.51(2) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C52 1.52(2) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C51 1.52(2) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.41(3) . ?
C50 C54 1.42(2) . ?
C50 U2 2.711(14) . ?
C51 C52 1.434(18) . ?
C51 U2 2.761(11) . ?
C52 C53 1.43(2) . ?
C52 U2 2.748(12) . ?
C53 C54 1.38(2) . ?
C53 U2 2.691(15) . ?
C54 U2 2.694(15) . ?
C55 C56 1.386(16) . ?
C55 C62 1.424(17) . ?
C55 U3 2.688(12) . ?
C55 H55 0.9500 . ?
C56 C57 1.416(18) . ?
C56 U3 2.679(12) . ?
C56 H56 0.9500 . ?
C57 C58 1.432(18) . ?
C57 Si5 1.888(14) . ?
C57 U3 2.645(14) . ?
C58 C59 1.42(2) . ?
C58 U3 2.665(13) . ?
C58 H58 0.9500 . ?
C59 C60 1.38(2) . ?
C59 U3 2.710(18) . ?
C59 H59 0.9500 . ?
C60 C61 1.36(2) . ?
C60 U3 2.694(16) . ?
C60 H60 0.9500 . ?
C61 C62 1.46(2) . ?
C61 U3 2.680(15) . ?
C61 H61 0.9500 . ?
C62 Si6 1.836(14) . ?
C62 U3 2.701(13) . ?
C63 Si6 1.846(17) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 Si6 1.844(15) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 Si6 1.85(2) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 Si5 1.869(15) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 Si5 1.847(13) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 Si5 1.882(17) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69A C77 1.49(4) . ?
C69A H69A 0.9800 . ?
C69A H69B 0.9800 . ?
C69A H69C 0.9800 . ?
C70A C78 1.42(4) . ?
C70A H70A 0.9800 . ?
C70A H70B 0.9800 . ?
C70A H70C 0.9800 . ?
C74A C80 1.52(4) . ?
C74A H74A 0.9800 . ?
C74A H74B 0.9800 . ?
C74A H74C 0.9800 . ?
C75A C76 1.65(4) . ?
C75A H75A 0.9800 . ?
C75A H75B 0.9800 . ?
C75A H75C 0.9800 . ?
C69B C77 1.68(5) . ?
C69B H69D 0.9800 . ?
C69B H69E 0.9800 . ?
C69B H69F 0.9800 . ?
C70B C78 1.60(5) . ?
C70B H70D 0.9800 . ?
C70B H70E 0.9800 . ?
C70B H70F 0.9800 . ?
C74B C80 1.55(5) . ?
C74B H74D 0.9800 . ?
C74B H74E 0.9800 . ?
C74B H74F 0.9800 . ?
C75B C76 1.50(5) . ?
C75B H75D 0.9800 . ?
C75B H75E 0.9800 . ?
C75B H75F 0.9800 . ?
C71A C72A 1.56(3) . ?
C71A H71A 0.9800 . ?
C71A H71B 0.9800 . ?
C71A H71C 0.9800 . ?
C72A C73A 1.38(3) . ?
C72A C79 1.59(4) . ?
C72A H72A 1.0000 . ?
C73A H73A 0.9800 . ?
C73A H73B 0.9800 . ?
C73A H73C 0.9800 . ?
C71B C72B 1.54(3) . ?
C71B H71D 0.9800 . ?
C71B H71E 0.9800 . ?
C71B H71F 0.9800 . ?
C72B C79 1.55(5) . ?
C72B H72B 1.0000 . ?
C76 C77 1.37(3) . ?
C76 C80 1.40(3) . ?
C76 U3 2.724(15) . ?
C77 C78 1.38(3) . ?
C77 U3 2.768(13) . ?
C78 C79 1.44(3) . ?
C78 U3 2.776(14) . ?
C79 C80 1.37(2) . ?
C79 U3 2.769(16) . ?
C80 U3 2.728(15) . ?
C81 C94 1.395(18) . ?
C81 C83 1.399(17) . ?
C81 U4 2.671(11) . ?
C81 H81 0.9500 . ?
C82A C97 1.64(6) . ?
C82A H82A 0.9800 . ?
C82A H82B 0.9800 . ?
C82A H82C 0.9800 . ?
C85A C98 1.50(5) . ?
C85A H85A 0.9800 . ?
C85A H85B 0.9800 . ?
C85A H85C 0.9800 . ?
C86A C100 1.66(5) . ?
C86A H86A 0.9800 . ?
C86A H86B 0.9800 . ?
C86A H86C 0.9800 . ?
C89A C102 1.55(5) . ?
C89A H89A 0.9800 . ?
C89A H89B 0.9800 . ?
C89A H89C 0.9800 . ?
C82B C97 1.52(4) . ?
C82B H82D 0.9800 . ?
C82B H82E 0.9800 . ?
C82B H82F 0.9800 . ?
C85B C98 1.58(4) . ?
C85B H85D 0.9800 . ?
C85B H85E 0.9800 . ?
C85B H85F 0.9800 . ?
C86B C100 1.52(4) . ?
C86B H86D 0.9800 . ?
C86B H86E 0.9800 . ?
C86B H86F 0.9800 . ?
C89B C102 1.48(3) . ?
C89B H89D 0.9800 . ?
C89B H89E 0.9800 . ?
C89B H89F 0.9800 . ?
C83 C84 1.425(17) . ?
C83 U4 2.642(14) . ?
C83 H83 0.9500 . ?
C84 C87 1.42(2) . ?
C84 Si7 1.878(13) . ?
C84 U4 2.687(12) . ?
C87 C88 1.42(2) . ?
C87 U4 2.641(14) . ?
C87 H87 0.9500 . ?
C88 C91 1.327(19) . ?
C88 U4 2.683(18) . ?
C88 H88 0.9500 . ?
C90 C95 1.50(2) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 C92 1.44(2) . ?
C91 U4 2.689(17) . ?
C91 H91 0.9500 . ?
C92 C94 1.42(2) . ?
C92 U4 2.615(16) . ?
C92 H92 0.9500 . ?
C93 C95 1.52(2) . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 Si8 1.919(14) . ?
C94 U4 2.659(13) . ?
C95 C105 1.45(3) . ?
C95 H95 1.0000 . ?
C96 Si8 1.865(16) . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.35(3) . ?
C97 C105 1.45(2) . ?
C97 U4 2.719(17) . ?
C98 C100 1.31(3) . ?
C98 U4 2.677(16) . ?
C99 Si8 1.88(2) . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C102 1.38(2) . ?
C100 U4 2.773(14) . ?
C101 Si8 1.872(14) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 C105 1.47(2) . ?
C102 U4 2.756(11) . ?
C103 Si7 1.864(19) . ?
C103 H10D 0.9800 . ?
C103 H10E 0.9800 . ?
C103 H10F 0.9800 . ?
C104 Si7 1.866(16) . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 U4 2.721(13) . ?
C106 Si7 1.867(16) . ?
C106 H10J 0.9800 . ?
C106 H10K 0.9800 . ?
C106 H10L 0.9800 . ?
O1 U2 2.210(11) . ?
O2 U1 2.406(10) . ?
O3 U1 2.400(10) . ?
O4 U3 2.428(11) . ?
O5 U3 2.422(10) . ?
O6 U4 2.189(12) . ?

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
O2 C1 O3 118.4(14) . . ?
O2 C1 O1 119.1(14) . . ?
O3 C1 O1 122.3(15) . . ?
O2 C1 U1 59.4(8) . . ?
O3 C1 U1 59.1(8) . . ?
O1 C1 U1 177.2(11) . . ?
O5 C2 O6 123.1(15) . . ?
O5 C2 O4 117.3(15) . . ?
O6 C2 O4 119.6(13) . . ?
O5 C2 U3 58.4(9) . . ?
O6 C2 U3 177.8(11) . . ?
O4 C2 U3 58.8(8) . . ?
C4 C3 C10 138.2(12) . . ?
C4 C3 U1 76.3(7) . . ?
C10 C3 U1 75.5(7) . . ?
C4 C3 H3 110.9 . . ?
C10 C3 H3 110.9 . . ?
U1 C3 H3 133.1 . . ?
C3 C4 C5 135.6(13) . . ?
C3 C4 U1 73.5(7) . . ?
C5 C4 U1 75.2(7) . . ?
C3 C4 H4 112.2 . . ?
C5 C4 H4 112.2 . . ?
U1 C4 H4 135.6 . . ?
C6 C5 C4 132.9(12) . . ?
C6 C5 Si1 111.8(9) . . ?
C4 C5 Si1 115.2(11) . . ?
C6 C5 U1 72.5(8) . . ?
C4 C5 U1 74.5(7) . . ?
Si1 C5 U1 130.4(7) . . ?
C5 C6 C7 133.8(13) . . ?
C5 C6 U1 77.6(8) . . ?
C7 C6 U1 76.9(9) . . ?
C5 C6 H6 113.1 . . ?
C7 C6 H6 113.1 . . ?
U1 C6 H6 124.2 . . ?
C8 C7 C6 136.2(14) . . ?
C8 C7 U1 75.4(10) . . ?
C6 C7 U1 71.9(9) . . ?
C8 C7 H7 111.9 . . ?
C6 C7 H7 111.9 . . ?
U1 C7 H7 138.9 . . ?
C7 C8 C9 136.4(14) . . ?
C7 C8 U1 75.4(10) . . ?
C9 C8 U1 72.7(9) . . ?
C7 C8 H8 111.8 . . ?
C9 C8 H8 111.8 . . ?
U1 C8 H8 137.6 . . ?
C8 C9 C10 133.9(13) . . ?
C8 C9 U1 77.0(8) . . ?
C10 C9 U1 75.6(8) . . ?
C8 C9 H9 113.0 . . ?
C10 C9 H9 113.0 . . ?
U1 C9 H9 127.2 . . ?
C3 C10 C9 131.7(12) . . ?
C3 C10 Si2 112.2(10) . . ?
C9 C10 Si2 116.1(9) . . ?
C3 C10 U1 73.9(7) . . ?
C9 C10 U1 73.6(8) . . ?
Si2 C10 U1 135.1(7) . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C17 109.0(12) . . ?
C19 C18 C26 109.1(11) . . ?
C17 C18 C26 113.7(13) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C27 C20 H20A 109.5 . . ?
C27 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C27 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C28 C21 H21A 109.5 . . ?
C28 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C28 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 H22A 109.5 . . ?
C24 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C24 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 H23A 109.5 . . ?
C25 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C25 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C28 109.1(13) . . ?
C25 C24 C22 127.8(16) . . ?
C28 C24 C22 123.1(17) . . ?
C25 C24 U1 75.4(8) . . ?
C28 C24 U1 77.6(8) . . ?
C22 C24 U1 113.0(8) . . ?
C24 C25 C26 106.9(15) . . ?
C24 C25 C23 126.5(13) . . ?
C26 C25 C23 125.8(14) . . ?
C24 C25 U1 75.1(9) . . ?
C26 C25 U1 76.8(8) . . ?
C23 C25 U1 122.0(8) . . ?
C27 C26 C25 109.8(13) . . ?
C27 C26 C18 129.2(13) . . ?
C25 C26 C18 120.9(14) . . ?
C27 C26 U1 77.2(8) . . ?
C25 C26 U1 73.1(8) . . ?
C18 C26 U1 118.0(8) . . ?
C26 C27 C28 106.5(14) . . ?
C26 C27 C20 128.6(15) . . ?
C28 C27 C20 123.9(18) . . ?
C26 C27 U1 74.1(7) . . ?
C28 C27 U1 74.0(7) . . ?
C20 C27 U1 125.8(10) . . ?
C24 C28 C27 107.6(16) . . ?
C24 C28 C21 125.6(15) . . ?
C27 C28 C21 125.2(17) . . ?
C24 C28 U1 72.7(8) . . ?
C27 C28 U1 76.2(7) . . ?
C21 C28 U1 128.1(11) . . ?
C31 C29 C30 137.4(13) . . ?
C31 C29 U2 75.6(7) . . ?
C30 C29 U2 72.9(7) . . ?
C31 C29 H29 111.3 . . ?
C30 C29 H29 111.3 . . ?
U2 C29 H29 138.4 . . ?
C36 C30 C29 130.2(13) . . ?
C36 C30 Si4 115.1(10) . . ?
C29 C30 Si4 114.2(10) . . ?
C36 C30 U2 75.2(8) . . ?
C29 C30 U2 75.7(8) . . ?
Si4 C30 U2 134.5(7) . . ?
C32 C31 C29 136.6(12) . . ?
C32 C31 U2 74.3(7) . . ?
C29 C31 U2 73.8(7) . . ?
C32 C31 H31 111.7 . . ?
C29 C31 H31 111.7 . . ?
U2 C31 H31 138.1 . . ?
C33 C32 C31 130.5(12) . . ?
C33 C32 Si3 117.1(9) . . ?
C31 C32 Si3 112.1(9) . . ?
C33 C32 U2 73.7(7) . . ?
C31 C32 U2 75.1(7) . . ?
Si3 C32 U2 136.0(8) . . ?
C34 C33 C32 137.5(13) . . ?
C34 C33 U2 76.5(8) . . ?
C32 C33 U2 75.6(7) . . ?
C34 C33 H33 111.3 . . ?
C32 C33 H33 111.3 . . ?
U2 C33 H33 131.6 . . ?
C33 C34 C35 134.2(14) . . ?
C33 C34 U2 73.1(9) . . ?
C35 C34 U2 73.7(9) . . ?
C33 C34 H34 112.9 . . ?
C35 C34 H34 112.9 . . ?
U2 C34 H34 137.2 . . ?
C36 C35 C34 135.2(14) . . ?
C36 C35 U2 73.6(9) . . ?
C34 C35 U2 75.5(9) . . ?
C36 C35 H35 112.4 . . ?
C34 C35 H35 112.4 . . ?
U2 C35 H35 134.3 . . ?
C35 C36 C30 137.3(14) . . ?
C35 C36 U2 76.0(9) . . ?
C30 C36 U2 74.1(9) . . ?
C35 C36 H36 111.4 . . ?
C30 C36 H36 111.4 . . ?
U2 C36 H36 135.1 . . ?
Si3 C37 H37A 109.5 . . ?
Si3 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si3 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si3 C38 H38A 109.5 . . ?
Si3 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si3 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si3 C39 H39A 109.5 . . ?
Si3 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si3 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si4 C40 H40A 109.5 . . ?
Si4 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si4 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si4 C41 H41A 109.5 . . ?
Si4 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si4 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si4 C42 H42A 109.5 . . ?
Si4 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si4 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 H43A 109.5 . . ?
C44 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C44 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C50 C44 C43 111.4(12) . . ?
C50 C44 C45 116.1(15) . . ?
C43 C44 C45 107.6(14) . . ?
C50 C44 H44 107.1 . . ?
C43 C44 H44 107.1 . . ?
C45 C44 H44 107.1 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C54 C46 H46A 109.5 . . ?
C54 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C54 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C53 C47 H47A 109.5 . . ?
C53 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C53 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C52 C48 H48A 109.5 . . ?
C52 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C52 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C51 C49 H49A 109.5 . . ?
C51 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C51 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 C54 107.7(15) . . ?
C51 C50 C44 131.1(16) . . ?
C54 C50 C44 121.3(16) . . ?
C51 C50 U2 77.1(8) . . ?
C54 C50 U2 74.2(8) . . ?
C44 C50 U2 115.1(9) . . ?
C50 C51 C52 107.7(17) . . ?
C50 C51 C49 131.0(14) . . ?
C52 C51 C49 120.9(18) . . ?
C50 C51 U2 73.2(8) . . ?
C52 C51 U2 74.4(7) . . ?
C49 C51 U2 123.2(11) . . ?
C51 C52 C53 107.3(16) . . ?
C51 C52 C48 126.2(17) . . ?
C53 C52 C48 125.5(14) . . ?
C51 C52 U2 75.4(7) . . ?
C53 C52 U2 72.5(8) . . ?
C48 C52 U2 126.6(11) . . ?
C54 C53 C52 107.6(14) . . ?
C54 C53 C47 126.8(16) . . ?
C52 C53 C47 125.5(16) . . ?
C54 C53 U2 75.3(8) . . ?
C52 C53 U2 76.9(9) . . ?
C47 C53 U2 111.4(9) . . ?
C53 C54 C50 109.7(16) . . ?
C53 C54 C46 124.3(14) . . ?
C50 C54 C46 125.4(15) . . ?
C53 C54 U2 75.0(9) . . ?
C50 C54 U2 75.5(9) . . ?
C46 C54 U2 123.6(9) . . ?
C56 C55 C62 140.0(12) . . ?
C56 C55 U3 74.7(7) . . ?
C62 C55 U3 75.2(7) . . ?
C56 C55 H55 110.0 . . ?
C62 C55 H55 110.0 . . ?
U3 C55 H55 139.5 . . ?
C55 C56 C57 137.9(12) . . ?
C55 C56 U3 75.4(7) . . ?
C57 C56 U3 73.2(7) . . ?
C55 C56 H56 111.0 . . ?
C57 C56 H56 111.0 . . ?
U3 C56 H56 138.8 . . ?
C56 C57 C58 129.2(13) . . ?
C56 C57 Si5 113.7(9) . . ?
C58 C57 Si5 116.2(10) . . ?
C56 C57 U3 75.9(8) . . ?
C58 C57 U3 75.1(7) . . ?
Si5 C57 U3 136.3(8) . . ?
C59 C58 C57 134.3(13) . . ?
C59 C58 U3 76.5(9) . . ?
C57 C58 U3 73.6(8) . . ?
C59 C58 H58 112.8 . . ?
C57 C58 H58 112.8 . . ?
U3 C58 H58 131.7 . . ?
C60 C59 C58 137.5(15) . . ?
C60 C59 U3 74.6(10) . . ?
C58 C59 U3 73.0(9) . . ?
C60 C59 H59 111.3 . . ?
C58 C59 H59 111.3 . . ?
U3 C59 H59 140.3 . . ?
C61 C60 C59 135.1(15) . . ?
C61 C60 U3 74.8(10) . . ?
C59 C60 U3 75.8(10) . . ?
C61 C60 H60 112.5 . . ?
C59 C60 H60 112.5 . . ?
U3 C60 H60 131.6 . . ?
C60 C61 C62 138.2(14) . . ?
C60 C61 U3 75.9(9) . . ?
C62 C61 U3 75.0(8) . . ?
C60 C61 H61 110.9 . . ?
C62 C61 H61 110.9 . . ?
U3 C61 H61 134.7 . . ?
C55 C62 C61 125.9(13) . . ?
C55 C62 Si6 120.0(10) . . ?
C61 C62 Si6 113.8(9) . . ?
C55 C62 U3 74.2(7) . . ?
C61 C62 U3 73.4(8) . . ?
Si6 C62 U3 133.6(7) . . ?
Si6 C63 H63A 109.5 . . ?
Si6 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
Si6 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
Si6 C64 H64A 109.5 . . ?
Si6 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
Si6 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
Si6 C65 H65A 109.5 . . ?
Si6 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
Si6 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
Si5 C66 H66A 109.5 . . ?
Si5 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
Si5 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
Si5 C67 H67A 109.5 . . ?
Si5 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
Si5 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
Si5 C68 H68A 109.5 . . ?
Si5 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
Si5 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C77 C69A H69A 109.5 . . ?
C77 C69A H69B 109.5 . . ?
H69A C69A H69B 109.5 . . ?
C77 C69A H69C 109.5 . . ?
H69A C69A H69C 109.5 . . ?
H69B C69A H69C 109.5 . . ?
C78 C70A H70A 109.5 . . ?
C78 C70A H70B 109.5 . . ?
H70A C70A H70B 109.5 . . ?
C78 C70A H70C 109.5 . . ?
H70A C70A H70C 109.5 . . ?
H70B C70A H70C 109.5 . . ?
C80 C74A H74A 109.5 . . ?
C80 C74A H74B 109.5 . . ?
H74A C74A H74B 109.5 . . ?
C80 C74A H74C 109.5 . . ?
H74A C74A H74C 109.5 . . ?
H74B C74A H74C 109.5 . . ?
C76 C75A H75A 109.5 . . ?
C76 C75A H75B 109.5 . . ?
H75A C75A H75B 109.5 . . ?
C76 C75A H75C 109.5 . . ?
H75A C75A H75C 109.5 . . ?
H75B C75A H75C 109.5 . . ?
C77 C69B H69D 109.5 . . ?
C77 C69B H69E 109.5 . . ?
H69D C69B H69E 109.5 . . ?
C77 C69B H69F 109.5 . . ?
H69D C69B H69F 109.5 . . ?
H69E C69B H69F 109.5 . . ?
C78 C70B H70D 109.5 . . ?
C78 C70B H70E 109.5 . . ?
H70D C70B H70E 109.5 . . ?
C78 C70B H70F 109.5 . . ?
H70D C70B H70F 109.5 . . ?
H70E C70B H70F 109.5 . . ?
C80 C74B H74D 109.5 . . ?
C80 C74B H74E 109.5 . . ?
H74D C74B H74E 109.5 . . ?
C80 C74B H74F 109.5 . . ?
H74D C74B H74F 109.5 . . ?
H74E C74B H74F 109.5 . . ?
C76 C75B H75D 109.5 . . ?
C76 C75B H75E 109.5 . . ?
H75D C75B H75E 109.5 . . ?
C76 C75B H75F 109.5 . . ?
H75D C75B H75F 109.5 . . ?
H75E C75B H75F 109.5 . . ?
C72A C71A H71A 109.5 . . ?
C72A C71A H71B 109.5 . . ?
H71A C71A H71B 109.5 . . ?
C72A C71A H71C 109.5 . . ?
H71A C71A H71C 109.5 . . ?
H71B C71A H71C 109.5 . . ?
C73A C72A C71A 111(2) . . ?
C73A C72A C79 117(3) . . ?
C71A C72A C79 108(3) . . ?
C73A C72A H72A 107.0 . . ?
C71A C72A H72A 107.0 . . ?
C79 C72A H72A 107.0 . . ?
C72A C73A H73A 109.5 . . ?
C72A C73A H73B 109.5 . . ?
H73A C73A H73B 109.5 . . ?
C72A C73A H73C 109.5 . . ?
H73A C73A H73C 109.5 . . ?
H73B C73A H73C 109.5 . . ?
C72B C71B H71D 109.5 . . ?
C72B C71B H71E 109.5 . . ?
H71D C71B H71E 109.5 . . ?
C72B C71B H71F 109.5 . . ?
H71D C71B H71F 109.5 . . ?
H71E C71B H71F 109.5 . . ?
C71B C72B C79 110(3) . . ?
C71B C72B H72B 101.1 . . ?
C79 C72B H72B 101.1 . . ?
C77 C76 C80 108.9(16) . . ?
C77 C76 C75B 106(3) . . ?
C80 C76 C75B 144(3) . . ?
C77 C76 C75A 143(3) . . ?
C80 C76 C75A 108(3) . . ?
C77 C76 U3 77.4(9) . . ?
C80 C76 U3 75.3(9) . . ?
C75B C76 U3 117.5(18) . . ?
C75A C76 U3 113.5(13) . . ?
C78 C77 C76 108.5(19) . . ?
C78 C77 C69A 138(3) . . ?
C76 C77 C69A 113(3) . . ?
C78 C77 C69B 106(3) . . ?
C76 C77 C69B 144(3) . . ?
C78 C77 U3 75.9(8) . . ?
C76 C77 U3 73.8(9) . . ?
C69A C77 U3 120.6(15) . . ?
C69B C77 U3 125.1(18) . . ?
C77 C78 C70A 109(3) . . ?
C77 C78 C79 107(2) . . ?
C70A C78 C79 141(2) . . ?
C77 C78 C70B 143(3) . . ?
C79 C78 C70B 109(3) . . ?
C77 C78 U3 75.2(9) . . ?
C70A C78 U3 129.5(18) . . ?
C79 C78 U3 74.7(8) . . ?
C70B C78 U3 121.0(16) . . ?
C80 C79 C78 106.7(17) . . ?
C80 C79 C72B 147(3) . . ?
C78 C79 C72B 107(3) . . ?
C80 C79 C72A 112(3) . . ?
C78 C79 C72A 141(2) . . ?
C80 C79 U3 73.9(9) . . ?
C78 C79 U3 75.2(10) . . ?
C72B C79 U3 114.0(19) . . ?
C72A C79 U3 121.2(12) . . ?
C79 C80 C76 108.6(19) . . ?
C79 C80 C74A 140(3) . . ?
C76 C80 C74A 111(2) . . ?
C79 C80 C74B 108(3) . . ?
C76 C80 C74B 143(3) . . ?
C79 C80 U3 77.2(10) . . ?
C76 C80 U3 75.0(10) . . ?
C74A C80 U3 119.5(14) . . ?
C74B C80 U3 113.7(16) . . ?
C94 C81 C83 136.3(13) . . ?
C94 C81 U4 74.3(7) . . ?
C83 C81 U4 73.6(7) . . ?
C94 C81 H81 111.9 . . ?
C83 C81 H81 111.9 . . ?
U4 C81 H81 137.9 . . ?
C97 C82A H82A 109.5 . . ?
C97 C82A H82B 109.5 . . ?
H82A C82A H82B 109.5 . . ?
C97 C82A H82C 109.5 . . ?
H82A C82A H82C 109.5 . . ?
H82B C82A H82C 109.5 . . ?
C98 C85A H85A 109.5 . . ?
C98 C85A H85B 109.5 . . ?
H85A C85A H85B 109.5 . . ?
C98 C85A H85C 109.5 . . ?
H85A C85A H85C 109.5 . . ?
H85B C85A H85C 109.5 . . ?
C100 C86A H86A 109.5 . . ?
C100 C86A H86B 109.5 . . ?
H86A C86A H86B 109.5 . . ?
C100 C86A H86C 109.5 . . ?
H86A C86A H86C 109.5 . . ?
H86B C86A H86C 109.5 . . ?
C102 C89A H89A 109.5 . . ?
C102 C89A H89B 109.5 . . ?
H89A C89A H89B 109.5 . . ?
C102 C89A H89C 109.5 . . ?
H89A C89A H89C 109.5 . . ?
H89B C89A H89C 109.5 . . ?
C97 C82B H82D 109.5 . . ?
C97 C82B H82E 109.5 . . ?
H82D C82B H82E 109.5 . . ?
C97 C82B H82F 109.5 . . ?
H82D C82B H82F 109.5 . . ?
H82E C82B H82F 109.5 . . ?
C98 C85B H85D 109.5 . . ?
C98 C85B H85E 109.5 . . ?
H85D C85B H85E 109.5 . . ?
C98 C85B H85F 109.5 . . ?
H85D C85B H85F 109.5 . . ?
H85E C85B H85F 109.5 . . ?
C100 C86B H86D 109.5 . . ?
C100 C86B H86E 109.5 . . ?
H86D C86B H86E 109.5 . . ?
C100 C86B H86F 109.5 . . ?
H86D C86B H86F 109.5 . . ?
H86E C86B H86F 109.5 . . ?
C102 C89B H89D 109.5 . . ?
C102 C89B H89E 109.5 . . ?
H89D C89B H89E 109.5 . . ?
C102 C89B H89F 109.5 . . ?
H89D C89B H89F 109.5 . . ?
H89E C89B H89F 109.5 . . ?
C81 C83 C84 139.9(14) . . ?
C81 C83 U4 75.9(7) . . ?
C84 C83 U4 76.2(7) . . ?
C81 C83 H83 110.0 . . ?
C84 C83 H83 110.0 . . ?
U4 C83 H83 134.7 . . ?
C87 C84 C83 128.6(12) . . ?
C87 C84 Si7 117.3(9) . . ?
C83 C84 Si7 114.1(10) . . ?
C87 C84 U4 72.8(7) . . ?
C83 C84 U4 72.7(7) . . ?
Si7 C84 U4 135.4(7) . . ?
C84 C87 C88 135.0(13) . . ?
C84 C87 U4 76.4(8) . . ?
C88 C87 U4 76.2(9) . . ?
C84 C87 H87 112.5 . . ?
C88 C87 H87 112.5 . . ?
U4 C87 H87 128.3 . . ?
C91 C88 C87 137.1(15) . . ?
C91 C88 U4 76.0(11) . . ?
C87 C88 U4 72.9(9) . . ?
C91 C88 H88 111.4 . . ?
C87 C88 H88 111.4 . . ?
U4 C88 H88 137.2 . . ?
C95 C90 H90A 109.5 . . ?
C95 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C95 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C88 C91 C92 136.8(16) . . ?
C88 C91 U4 75.4(10) . . ?
C92 C91 U4 71.4(9) . . ?
C88 C91 H91 111.6 . . ?
C92 C91 H91 111.6 . . ?
U4 C91 H91 140.7 . . ?
C94 C92 C91 133.0(13) . . ?
C94 C92 U4 76.1(9) . . ?
C91 C92 U4 77.1(9) . . ?
C94 C92 H92 113.5 . . ?
C91 C92 H92 113.5 . . ?
U4 C92 H92 125.6 . . ?
C95 C93 H93A 109.5 . . ?
C95 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C95 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C81 C94 C92 131.9(12) . . ?
C81 C94 Si8 114.1(10) . . ?
C92 C94 Si8 113.9(10) . . ?
C81 C94 U4 75.3(8) . . ?
C92 C94 U4 72.7(8) . . ?
Si8 C94 U4 129.7(7) . . ?
C105 C95 C90 117.6(15) . . ?
C105 C95 C93 120.2(18) . . ?
C90 C95 C93 110.9(19) . . ?
C105 C95 H95 101.3 . . ?
C90 C95 H95 101.3 . . ?
C93 C95 H95 101.3 . . ?
Si8 C96 H96A 109.5 . . ?
Si8 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
Si8 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C98 C97 C105 104.5(19) . . ?
C98 C97 C82B 123(2) . . ?
C105 C97 C82B 132(2) . . ?
C98 C97 C82A 151(3) . . ?
C105 C97 C82A 105(2) . . ?
C98 C97 U4 73.8(11) . . ?
C105 C97 U4 74.7(9) . . ?
C82B C97 U4 120.2(14) . . ?
C82A C97 U4 115.4(17) . . ?
C100 C98 C97 114.4(19) . . ?
C100 C98 C85A 109(3) . . ?
C97 C98 C85A 135(3) . . ?
C100 C98 C85B 132(3) . . ?
C97 C98 C85B 113(3) . . ?
C100 C98 U4 80.2(11) . . ?
C97 C98 U4 77.2(10) . . ?
C85A C98 U4 122.2(18) . . ?
C85B C98 U4 112.4(13) . . ?
Si8 C99 H99A 109.5 . . ?
Si8 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
Si8 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C98 C100 C102 109.5(18) . . ?
C98 C100 C86B 114(2) . . ?
C102 C100 C86B 136(2) . . ?
C98 C100 C86A 141(3) . . ?
C102 C100 C86A 109(2) . . ?
C98 C100 U4 72.0(10) . . ?
C102 C100 U4 74.9(8) . . ?
C86B C100 U4 125.5(13) . . ?
C86A C100 U4 124.4(17) . . ?
Si8 C101 H10A 109.5 . . ?
Si8 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
Si8 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C100 C102 C105 105.3(15) . . ?
C100 C102 C89B 116(2) . . ?
C105 C102 C89B 137(2) . . ?
C100 C102 C89A 138(3) . . ?
C105 C102 C89A 116(2) . . ?
C100 C102 U4 76.3(7) . . ?
C105 C102 U4 73.1(7) . . ?
C89B C102 U4 126.7(14) . . ?
C89A C102 U4 115.2(16) . . ?
Si7 C103 H10D 109.5 . . ?
Si7 C103 H10E 109.5 . . ?
H10D C103 H10E 109.5 . . ?
Si7 C103 H10F 109.5 . . ?
H10D C103 H10F 109.5 . . ?
H10E C103 H10F 109.5 . . ?
Si7 C104 H10G 109.5 . . ?
Si7 C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
Si7 C104 H10I 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C97 C105 C95 127(2) . . ?
C97 C105 C102 106.1(15) . . ?
C95 C105 C102 126.4(19) . . ?
C97 C105 U4 74.4(9) . . ?
C95 C105 U4 117.3(10) . . ?
C102 C105 U4 75.7(8) . . ?
Si7 C106 H10J 109.5 . . ?
Si7 C106 H10K 109.5 . . ?
H10J C106 H10K 109.5 . . ?
Si7 C106 H10L 109.5 . . ?
H10J C106 H10L 109.5 . . ?
H10K C106 H10L 109.5 . . ?
C1 O1 U2 174.3(9) . . ?
C1 O2 U1 93.6(9) . . ?
C1 O3 U1 93.9(9) . . ?
C2 O4 U3 94.1(9) . . ?
C2 O5 U3 95.3(10) . . ?
C2 O6 U4 172.5(12) . . ?
C15 Si1 C16 107.9(9) . . ?
C15 Si1 C14 107.6(9) . . ?
C16 Si1 C14 108.9(8) . . ?
C15 Si1 C5 112.5(6) . . ?
C16 Si1 C5 112.3(6) . . ?
C14 Si1 C5 107.4(8) . . ?
C11 Si2 C12 107.5(7) . . ?
C11 Si2 C13 109.7(8) . . ?
C12 Si2 C13 107.1(7) . . ?
C11 Si2 C10 112.3(7) . . ?
C12 Si2 C10 107.6(6) . . ?
C13 Si2 C10 112.3(6) . . ?
C38 Si3 C37 109.8(8) . . ?
C38 Si3 C39 107.3(8) . . ?
C37 Si3 C39 107.5(8) . . ?
C38 Si3 C32 108.0(7) . . ?
C37 Si3 C32 111.6(7) . . ?
C39 Si3 C32 112.6(7) . . ?
C40 Si4 C42 108.3(8) . . ?
C40 Si4 C41 109.9(8) . . ?
C42 Si4 C41 108.5(8) . . ?
C40 Si4 C30 113.9(6) . . ?
C42 Si4 C30 105.0(6) . . ?
C41 Si4 C30 111.0(7) . . ?
C67 Si5 C66 106.6(8) . . ?
C67 Si5 C57 113.0(6) . . ?
C66 Si5 C57 108.1(7) . . ?
C67 Si5 C68 109.6(8) . . ?
C66 Si5 C68 108.7(7) . . ?
C57 Si5 C68 110.7(7) . . ?
C62 Si6 C64 110.4(7) . . ?
C62 Si6 C63 110.9(6) . . ?
C64 Si6 C63 111.2(9) . . ?
C62 Si6 C65 109.9(8) . . ?
C64 Si6 C65 106.0(9) . . ?
C63 Si6 C65 108.2(8) . . ?
C103 Si7 C106 108.1(9) . . ?
C103 Si7 C104 108.5(8) . . ?
C106 Si7 C104 109.7(8) . . ?
C103 Si7 C84 111.3(7) . . ?
C106 Si7 C84 112.9(7) . . ?
C104 Si7 C84 106.2(7) . . ?
C96 Si8 C101 107.8(7) . . ?
C96 Si8 C99 107.2(8) . . ?
C101 Si8 C99 110.9(9) . . ?
C96 Si8 C94 110.5(7) . . ?
C101 Si8 C94 107.8(6) . . ?
C99 Si8 C94 112.6(7) . . ?
O3 U1 O2 54.1(3) . . ?
O3 U1 C6 143.5(4) . . ?
O2 U1 C6 99.7(4) . . ?
O3 U1 C9 111.2(4) . . ?
O2 U1 C9 152.7(4) . . ?
C6 U1 C9 80.4(5) . . ?
O3 U1 C3 79.5(4) . . ?
O2 U1 C3 95.1(4) . . ?
C6 U1 C3 78.3(4) . . ?
C9 U1 C3 58.0(4) . . ?
O3 U1 C10 87.2(4) . . ?
O2 U1 C10 122.2(4) . . ?
C6 U1 C10 88.3(4) . . ?
C9 U1 C10 30.8(4) . . ?
C3 U1 C10 30.6(4) . . ?
O3 U1 C4 90.1(4) . . ?
O2 U1 C4 78.6(4) . . ?
C6 U1 C4 57.3(4) . . ?
C9 U1 C4 78.7(5) . . ?
C3 U1 C4 30.2(4) . . ?
C10 U1 C4 58.3(4) . . ?
O3 U1 C25 75.3(4) . . ?
O2 U1 C25 73.7(4) . . ?
C6 U1 C25 125.6(4) . . ?
C9 U1 C25 128.5(4) . . ?
C3 U1 C25 154.4(4) . . ?
C10 U1 C25 141.7(4) . . ?
C4 U1 C25 152.2(5) . . ?
O3 U1 C24 103.1(5) . . ?
O2 U1 C24 82.4(4) . . ?
C6 U1 C24 96.7(5) . . ?
C9 U1 C24 124.8(5) . . ?
C3 U1 C24 174.0(4) . . ?
C10 U1 C24 153.8(4) . . ?
C4 U1 C24 143.9(4) . . ?
C25 U1 C24 29.5(5) . . ?
O3 U1 C5 113.9(4) . . ?
O2 U1 C5 80.2(4) . . ?
C6 U1 C5 29.9(4) . . ?
C9 U1 C5 87.7(4) . . ?
C3 U1 C5 57.9(3) . . ?
C10 U1 C5 79.8(4) . . ?
C4 U1 C5 30.3(4) . . ?
C25 U1 C5 138.3(4) . . ?
C24 U1 C5 116.2(4) . . ?
O3 U1 C7 163.4(4) . . ?
O2 U1 C7 130.1(4) . . ?
C6 U1 C7 31.2(4) . . ?
C9 U1 C7 57.2(4) . . ?
C3 U1 C7 84.0(4) . . ?
C10 U1 C7 77.6(4) . . ?
C4 U1 C7 76.4(5) . . ?
C25 U1 C7 121.0(5) . . ?
C24 U1 C7 93.5(5) . . ?
C5 U1 C7 57.3(4) . . ?
O3 U1 C8 141.4(4) . . ?
O2 U1 C8 157.2(4) . . ?
C6 U1 C8 58.1(5) . . ?
C9 U1 C8 30.3(4) . . ?
C3 U1 C8 76.6(4) . . ?
C10 U1 C8 57.6(4) . . ?
C4 U1 C8 84.2(5) . . ?
C25 U1 C8 121.9(4) . . ?
C24 U1 C8 103.7(5) . . ?
C5 U1 C8 77.5(5) . . ?
C7 U1 C8 29.1(4) . . ?
O1 U2 C30 98.7(4) . . ?
O1 U2 C33 125.9(4) . . ?
C30 U2 C33 89.4(4) . . ?
O1 U2 C36 127.8(4) . . ?
C30 U2 C36 30.7(4) . . ?
C33 U2 C36 79.7(5) . . ?
O1 U2 C29 81.6(4) . . ?
C30 U2 C29 31.4(4) . . ?
C33 U2 C29 78.5(4) . . ?
C36 U2 C29 57.8(5) . . ?
O1 U2 C35 157.3(4) . . ?
C30 U2 C35 58.7(4) . . ?
C33 U2 C35 58.6(4) . . ?
C36 U2 C35 30.4(4) . . ?
C29 U2 C35 77.8(5) . . ?
O1 U2 C32 97.3(4) . . ?
C30 U2 C32 82.4(4) . . ?
C33 U2 C32 30.7(4) . . ?
C36 U2 C32 88.8(5) . . ?
C29 U2 C32 59.0(4) . . ?
C35 U2 C32 79.9(4) . . ?
O1 U2 C34 155.7(4) . . ?
C30 U2 C34 80.2(5) . . ?
C33 U2 C34 30.4(4) . . ?
C36 U2 C34 58.4(5) . . ?
C29 U2 C34 85.6(5) . . ?
C35 U2 C34 30.7(4) . . ?
C32 U2 C34 58.4(4) . . ?
O1 U2 C31 81.1(4) . . ?
C30 U2 C31 59.8(4) . . ?
C33 U2 C31 57.5(4) . . ?
C36 U2 C31 78.7(4) . . ?
C29 U2 C31 30.6(4) . . ?
C35 U2 C31 85.8(4) . . ?
C32 U2 C31 30.6(4) . . ?
C34 U2 C31 77.5(4) . . ?
O1 U2 C54 72.5(4) . . ?
C30 U2 C54 132.3(4) . . ?
C33 U2 C54 134.4(4) . . ?
C36 U2 C54 124.9(4) . . ?
C29 U2 C54 146.3(5) . . ?
C35 U2 C54 122.1(4) . . ?
C32 U2 C54 144.2(4) . . ?
C34 U2 C54 125.9(4) . . ?
C31 U2 C54 152.1(5) . . ?
O1 U2 C53 85.7(5) . . ?
C30 U2 C53 105.0(5) . . ?
C33 U2 C53 143.4(4) . . ?
C36 U2 C53 95.6(5) . . ?
C29 U2 C53 129.4(5) . . ?
C35 U2 C53 100.3(5) . . ?
C32 U2 C53 171.5(4) . . ?
C34 U2 C53 118.2(5) . . ?
C31 U2 C53 157.6(4) . . ?
C54 U2 C53 29.7(5) . . ?
O1 U2 C50 93.4(5) . . ?
C30 U2 C50 151.4(5) . . ?
C33 U2 C50 104.2(5) . . ?
C36 U2 C50 126.6(5) . . ?
C29 U2 C50 175.0(5) . . ?
C35 U2 C50 107.2(5) . . ?
C32 U2 C50 121.6(5) . . ?
C34 U2 C50 98.8(5) . . ?
C31 U2 C50 148.3(5) . . ?
C54 U2 C50 30.4(5) . . ?
C53 U2 C50 50.1(5) . . ?
O5 U3 O4 53.3(3) . . ?
O5 U3 C57 118.1(4) . . ?
O4 U3 C57 82.8(4) . . ?
O5 U3 C58 149.2(4) . . ?
O4 U3 C58 108.1(4) . . ?
C57 U3 C58 31.3(4) . . ?
O5 U3 C56 92.4(4) . . ?
O4 U3 C56 77.6(4) . . ?
C57 U3 C56 30.8(4) . . ?
C58 U3 C56 57.5(4) . . ?
O5 U3 C61 103.3(4) . . ?
O4 U3 C61 144.7(4) . . ?
C57 U3 C61 88.8(5) . . ?
C58 U3 C61 78.7(5) . . ?
C56 U3 C61 77.7(5) . . ?
O5 U3 C55 77.8(4) . . ?
O4 U3 C55 89.7(4) . . ?
C57 U3 C55 58.7(4) . . ?
C58 U3 C55 77.8(4) . . ?
C56 U3 C55 29.9(4) . . ?
C61 U3 C55 57.2(4) . . ?
O5 U3 C60 132.0(4) . . ?
O4 U3 C60 161.9(4) . . ?
C57 U3 C60 80.1(5) . . ?
C58 U3 C60 58.2(4) . . ?
C56 U3 C60 84.6(5) . . ?
C61 U3 C60 29.3(4) . . ?
C55 U3 C60 76.3(4) . . ?
O5 U3 C59 157.7(5) . . ?
O4 U3 C59 138.6(4) . . ?
C57 U3 C59 58.7(5) . . ?
C58 U3 C59 30.6(4) . . ?
C56 U3 C59 76.1(5) . . ?
C61 U3 C59 56.0(5) . . ?
C55 U3 C59 83.1(5) . . ?
C60 U3 C59 29.6(4) . . ?
O5 U3 C62 79.1(5) . . ?
O4 U3 C62 113.2(4) . . ?
C57 U3 C62 82.6(4) . . ?
C58 U3 C62 89.3(5) . . ?
C56 U3 C62 58.8(4) . . ?
C61 U3 C62 31.5(4) . . ?
C55 U3 C62 30.6(4) . . ?
C60 U3 C62 58.5(4) . . ?
C59 U3 C62 78.6(5) . . ?
O5 U3 C80 76.6(4) . . ?
O4 U3 C80 74.8(5) . . ?
C57 U3 C80 136.2(5) . . ?
C58 U3 C80 126.0(5) . . ?
C56 U3 C80 151.5(5) . . ?
C61 U3 C80 130.1(5) . . ?
C55 U3 C80 154.4(5) . . ?
C60 U3 C80 122.4(5) . . ?
C59 U3 C80 122.0(5) . . ?
C62 U3 C80 140.9(5) . . ?
O5 U3 C76 78.8(6) . . ?
O4 U3 C76 99.6(7) . . ?
C57 U3 C76 158.5(5) . . ?
C58 U3 C76 131.6(6) . . ?
C56 U3 C76 170.5(5) . . ?
C61 U3 C76 100.5(7) . . ?
C55 U3 C76 142.1(4) . . ?
C60 U3 C76 98.5(7) . . ?
C59 U3 C76 110.9(7) . . ?
C62 U3 C76 115.2(5) . . ?
C80 U3 C76 29.7(6) . . ?
O6 U4 C92 119.1(5) . . ?
O6 U4 C87 135.5(5) . . ?
C92 U4 C87 81.2(5) . . ?
O6 U4 C83 85.6(4) . . ?
C92 U4 C83 79.3(5) . . ?
C87 U4 C83 58.0(4) . . ?
O6 U4 C94 92.4(5) . . ?
C92 U4 C94 31.2(4) . . ?
C87 U4 C94 89.3(4) . . ?
C83 U4 C94 58.6(4) . . ?
O6 U4 C81 80.2(4) . . ?
C92 U4 C81 58.1(5) . . ?
C87 U4 C81 79.2(4) . . ?
C83 U4 C81 30.5(4) . . ?
C94 U4 C81 30.4(4) . . ?
O6 U4 C98 94.3(7) . . ?
C92 U4 C98 93.7(6) . . ?
C87 U4 C98 125.5(7) . . ?
C83 U4 C98 171.8(5) . . ?
C94 U4 C98 113.3(5) . . ?
C81 U4 C98 141.4(5) . . ?
O6 U4 C91 150.4(5) . . ?
C92 U4 C91 31.5(5) . . ?
C87 U4 C91 57.3(5) . . ?
C83 U4 C91 84.3(5) . . ?
C94 U4 C91 58.8(4) . . ?
C81 U4 C91 77.0(5) . . ?
C98 U4 C91 91.9(7) . . ?
O6 U4 C88 162.5(4) . . ?
C92 U4 C88 58.2(5) . . ?
C87 U4 C88 30.9(5) . . ?
C83 U4 C88 76.9(5) . . ?
C94 U4 C88 78.8(4) . . ?
C81 U4 C88 84.7(4) . . ?
C98 U4 C88 103.1(7) . . ?
C91 U4 C88 28.6(4) . . ?
O6 U4 C84 105.7(4) . . ?
C92 U4 C84 90.1(4) . . ?
C87 U4 C84 30.8(4) . . ?
C83 U4 C84 31.0(4) . . ?
C94 U4 C84 81.8(4) . . ?
C81 U4 C84 59.4(4) . . ?
C98 U4 C84 154.8(6) . . ?
C91 U4 C84 78.4(4) . . ?
C88 U4 C84 58.4(4) . . ?
O6 U4 C97 73.0(5) . . ?
C92 U4 C97 121.0(6) . . ?
C87 U4 C97 133.2(5) . . ?
C83 U4 C97 155.6(6) . . ?
C94 U4 C97 132.0(5) . . ?
C81 U4 C97 147.5(5) . . ?
C98 U4 C97 29.0(6) . . ?
C91 U4 C97 120.1(5) . . ?
C88 U4 C97 124.1(5) . . ?
C84 U4 C97 145.9(5) . . ?
O6 U4 C105 87.1(5) . . ?
C92 U4 C105 137.4(5) . . ?
C87 U4 C105 104.0(5) . . ?
C83 U4 C105 139.6(5) . . ?
C94 U4 C105 161.5(5) . . ?
C81 U4 C105 164.2(5) . . ?
C98 U4 C105 48.4(5) . . ?
C91 U4 C105 118.0(5) . . ?
C88 U4 C105 106.1(5) . . ?
C84 U4 C105 116.2(5) . . ?
C97 U4 C105 30.9(5) . . ?

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
C10 C3 C4 C5 2(3) . . . . ?
U1 C3 C4 C5 -46.8(18) . . . . ?
C10 C3 C4 U1 48.7(17) . . . . ?
C3 C4 C5 C6 -1(3) . . . . ?
U1 C4 C5 C6 -47.0(17) . . . . ?
C3 C4 C5 Si1 174.1(15) . . . . ?
U1 C4 C5 Si1 127.8(9) . . . . ?
C3 C4 C5 U1 46.3(18) . . . . ?
C4 C5 C6 C7 -10(3) . . . . ?
Si1 C5 C6 C7 174.9(16) . . . . ?
U1 C5 C6 C7 -57.8(18) . . . . ?
C4 C5 C6 U1 47.6(17) . . . . ?
Si1 C5 C6 U1 -127.3(8) . . . . ?
C5 C6 C7 C8 14(4) . . . . ?
U1 C6 C7 C8 -44(2) . . . . ?
C5 C6 C7 U1 58.1(18) . . . . ?
C6 C7 C8 C9 -1(4) . . . . ?
U1 C7 C8 C9 -44(2) . . . . ?
C6 C7 C8 U1 43(2) . . . . ?
C7 C8 C9 C10 -10(3) . . . . ?
U1 C8 C9 C10 -54.8(17) . . . . ?
C7 C8 C9 U1 45(2) . . . . ?
C4 C3 C10 C9 0(3) . . . . ?
U1 C3 C10 C9 49.5(16) . . . . ?
C4 C3 C10 Si2 178.3(15) . . . . ?
U1 C3 C10 Si2 -132.8(8) . . . . ?
C4 C3 C10 U1 -49.0(18) . . . . ?
C8 C9 C10 C3 6(3) . . . . ?
U1 C9 C10 C3 -49.6(15) . . . . ?
C8 C9 C10 Si2 -172.0(15) . . . . ?
U1 C9 C10 Si2 132.7(9) . . . . ?
C8 C9 C10 U1 55.3(17) . . . . ?
C28 C24 C25 C26 0.1(15) . . . . ?
C22 C24 C25 C26 -178.9(12) . . . . ?
U1 C24 C25 C26 -70.9(9) . . . . ?
C28 C24 C25 C23 -169.9(13) . . . . ?
C22 C24 C25 C23 11(2) . . . . ?
U1 C24 C25 C23 119.0(13) . . . . ?
C28 C24 C25 U1 71.0(10) . . . . ?
C22 C24 C25 U1 -108.0(13) . . . . ?
C24 C25 C26 C27 0.5(16) . . . . ?
C23 C25 C26 C27 170.7(12) . . . . ?
U1 C25 C26 C27 -69.2(10) . . . . ?
C24 C25 C26 C18 -177.3(11) . . . . ?
C23 C25 C26 C18 -7.2(19) . . . . ?
U1 C25 C26 C18 113.0(11) . . . . ?
C24 C25 C26 U1 69.7(10) . . . . ?
C23 C25 C26 U1 -120.2(12) . . . . ?
C19 C18 C26 C27 -80.8(19) . . . . ?
C17 C18 C26 C27 41(2) . . . . ?
C19 C18 C26 C25 96.5(16) . . . . ?
C17 C18 C26 C25 -141.5(13) . . . . ?
C19 C18 C26 U1 -177.1(11) . . . . ?
C17 C18 C26 U1 -55.2(15) . . . . ?
C25 C26 C27 C28 -0.9(16) . . . . ?
C18 C26 C27 C28 176.7(12) . . . . ?
U1 C26 C27 C28 -67.5(9) . . . . ?
C25 C26 C27 C20 -170.0(13) . . . . ?
C18 C26 C27 C20 8(2) . . . . ?
U1 C26 C27 C20 123.5(14) . . . . ?
C25 C26 C27 U1 66.5(9) . . . . ?
C18 C26 C27 U1 -115.9(14) . . . . ?
C25 C24 C28 C27 -0.7(16) . . . . ?
C22 C24 C28 C27 178.4(12) . . . . ?
U1 C24 C28 C27 68.8(10) . . . . ?
C25 C24 C28 C21 165.6(14) . . . . ?
C22 C24 C28 C21 -15(2) . . . . ?
U1 C24 C28 C21 -124.9(16) . . . . ?
C25 C24 C28 U1 -69.5(10) . . . . ?
C22 C24 C28 U1 109.6(13) . . . . ?
C26 C27 C28 C24 1.0(16) . . . . ?
C20 C27 C28 C24 170.7(13) . . . . ?
U1 C27 C28 C24 -66.5(10) . . . . ?
C26 C27 C28 C21 -165.4(14) . . . . ?
C20 C27 C28 C21 4(2) . . . . ?
U1 C27 C28 C21 127.1(16) . . . . ?
C26 C27 C28 U1 67.5(9) . . . . ?
C20 C27 C28 U1 -122.8(14) . . . . ?
C31 C29 C30 C36 12(3) . . . . ?
U2 C29 C30 C36 56.0(15) . . . . ?
C31 C29 C30 Si4 -176.7(16) . . . . ?
U2 C29 C30 Si4 -132.7(9) . . . . ?
C31 C29 C30 U2 -44.0(19) . . . . ?
C30 C29 C31 C32 -1(3) . . . . ?
U2 C29 C31 C32 -44.1(18) . . . . ?
C30 C29 C31 U2 43.3(19) . . . . ?
C29 C31 C32 C33 -8(3) . . . . ?
U2 C31 C32 C33 -52.4(15) . . . . ?
C29 C31 C32 Si3 178.0(15) . . . . ?
U2 C31 C32 Si3 134.1(9) . . . . ?
C29 C31 C32 U2 44.0(18) . . . . ?
C31 C32 C33 C34 2(3) . . . . ?
Si3 C32 C33 C34 175.7(16) . . . . ?
U2 C32 C33 C34 -50.5(19) . . . . ?
C31 C32 C33 U2 52.9(15) . . . . ?
Si3 C32 C33 U2 -133.8(9) . . . . ?
C32 C33 C34 C35 5(3) . . . . ?
U2 C33 C34 C35 -45.3(18) . . . . ?
C32 C33 C34 U2 50.2(19) . . . . ?
C33 C34 C35 C36 -3(3) . . . . ?
U2 C34 C35 C36 -47.6(19) . . . . ?
C33 C34 C35 U2 45.1(19) . . . . ?
C34 C35 C36 C30 2(3) . . . . ?
U2 C35 C36 C30 -46.6(18) . . . . ?
C34 C35 C36 U2 48.2(19) . . . . ?
C29 C30 C36 C35 -9(3) . . . . ?
Si4 C30 C36 C35 179.7(16) . . . . ?
U2 C30 C36 C35 47.2(19) . . . . ?
C29 C30 C36 U2 -56.2(15) . . . . ?
Si4 C30 C36 U2 132.6(9) . . . . ?
C43 C44 C50 C51 -97(2) . . . . ?
C45 C44 C50 C51 26(2) . . . . ?
C43 C44 C50 C54 83(2) . . . . ?
C45 C44 C50 C54 -153.0(15) . . . . ?
C43 C44 C50 U2 -3(2) . . . . ?
C45 C44 C50 U2 120.9(13) . . . . ?
C54 C50 C51 C52 -1.5(16) . . . . ?
C44 C50 C51 C52 179.1(14) . . . . ?
U2 C50 C51 C52 67.0(10) . . . . ?
C54 C50 C51 C49 171.9(14) . . . . ?
C44 C50 C51 C49 -7(3) . . . . ?
U2 C50 C51 C49 -119.6(16) . . . . ?
C54 C50 C51 U2 -68.5(9) . . . . ?
C44 C50 C51 U2 112.1(16) . . . . ?
C50 C51 C52 C53 0.0(16) . . . . ?
C49 C51 C52 C53 -174.2(13) . . . . ?
U2 C51 C52 C53 66.1(10) . . . . ?
C50 C51 C52 C48 169.0(14) . . . . ?
C49 C51 C52 C48 -5(2) . . . . ?
U2 C51 C52 C48 -124.9(16) . . . . ?
C50 C51 C52 U2 -66.1(9) . . . . ?
C49 C51 C52 U2 119.7(14) . . . . ?
C51 C52 C53 C54 1.6(16) . . . . ?
C48 C52 C53 C54 -167.5(13) . . . . ?
U2 C52 C53 C54 69.7(10) . . . . ?
C51 C52 C53 C47 -175.2(12) . . . . ?
C48 C52 C53 C47 16(2) . . . . ?
U2 C52 C53 C47 -107.2(14) . . . . ?
C51 C52 C53 U2 -68.0(10) . . . . ?
C48 C52 C53 U2 122.9(14) . . . . ?
C52 C53 C54 C50 -2.6(16) . . . . ?
C47 C53 C54 C50 174.2(13) . . . . ?
U2 C53 C54 C50 68.2(10) . . . . ?
C52 C53 C54 C46 168.4(13) . . . . ?
C47 C53 C54 C46 -15(2) . . . . ?
U2 C53 C54 C46 -120.8(13) . . . . ?
C52 C53 C54 U2 -70.8(10) . . . . ?
C47 C53 C54 U2 106.0(14) . . . . ?
C51 C50 C54 C53 2.6(16) . . . . ?
C44 C50 C54 C53 -178.0(12) . . . . ?
U2 C50 C54 C53 -67.9(10) . . . . ?
C51 C50 C54 C46 -168.3(13) . . . . ?
C44 C50 C54 C46 11(2) . . . . ?
U2 C50 C54 C46 121.2(13) . . . . ?
C51 C50 C54 U2 70.5(10) . . . . ?
C44 C50 C54 U2 -110.1(13) . . . . ?
C62 C55 C56 C57 0(4) . . . . ?
U3 C55 C56 C57 -43(2) . . . . ?
C62 C55 C56 U3 42(2) . . . . ?
C55 C56 C57 C58 -14(3) . . . . ?
U3 C56 C57 C58 -56.9(15) . . . . ?
C55 C56 C57 Si5 178.2(17) . . . . ?
U3 C56 C57 Si5 134.7(10) . . . . ?
C55 C56 C57 U3 43(2) . . . . ?
C56 C57 C58 C59 6(3) . . . . ?
Si5 C57 C58 C59 174.3(15) . . . . ?
U3 C57 C58 C59 -51.0(17) . . . . ?
C56 C57 C58 U3 57.2(16) . . . . ?
Si5 C57 C58 U3 -134.6(10) . . . . ?
C57 C58 C59 C60 8(3) . . . . ?
U3 C58 C59 C60 -42(2) . . . . ?
C57 C58 C59 U3 50.1(17) . . . . ?
C58 C59 C60 C61 -9(4) . . . . ?
U3 C59 C60 C61 -50.4(19) . . . . ?
C58 C59 C60 U3 41(2) . . . . ?
C59 C60 C61 C62 4(4) . . . . ?
U3 C60 C61 C62 -47(2) . . . . ?
C59 C60 C61 U3 50.8(19) . . . . ?
C56 C55 C62 C61 13(3) . . . . ?
U3 C55 C62 C61 55.2(14) . . . . ?
C56 C55 C62 Si6 -173.8(17) . . . . ?
U3 C55 C62 Si6 -131.6(11) . . . . ?
C56 C55 C62 U3 -42(2) . . . . ?
C60 C61 C62 C55 -8(3) . . . . ?
U3 C61 C62 C55 -55.5(14) . . . . ?
C60 C61 C62 Si6 178.3(18) . . . . ?
U3 C61 C62 Si6 130.9(9) . . . . ?
C60 C61 C62 U3 47(2) . . . . ?
C80 C76 C77 C78 0.8(19) . . . . ?
C75B C76 C77 C78 176(2) . . . . ?
C75A C76 C77 C78 179(2) . . . . ?
U3 C76 C77 C78 -68.6(11) . . . . ?
C80 C76 C77 C69A -173.7(16) . . . . ?
C75B C76 C77 C69A 2(3) . . . . ?
C75A C76 C77 C69A 4(4) . . . . ?
U3 C76 C77 C69A 116.9(17) . . . . ?
C80 C76 C77 C69B -163(3) . . . . ?
C75B C76 C77 C69B 13(4) . . . . ?
C75A C76 C77 C69B 16(5) . . . . ?
U3 C76 C77 C69B 128(3) . . . . ?
C80 C76 C77 U3 69.4(11) . . . . ?
C75B C76 C77 U3 -115.4(19) . . . . ?
C75A C76 C77 U3 -112(3) . . . . ?
C76 C77 C78 C70A -165.5(19) . . . . ?
C69A C77 C78 C70A 7(4) . . . . ?
C69B C77 C78 C70A 4(3) . . . . ?
U3 C77 C78 C70A 127.2(19) . . . . ?
C76 C77 C78 C79 -1.1(19) . . . . ?
C69A C77 C78 C79 171(2) . . . . ?
C69B C77 C78 C79 168.7(19) . . . . ?
U3 C77 C78 C79 -68.3(11) . . . . ?
C76 C77 C78 C70B -170(3) . . . . ?
C69A C77 C78 C70B 2(5) . . . . ?
C69B C77 C78 C70B 0(4) . . . . ?
U3 C77 C78 C70B 123(3) . . . . ?
C76 C77 C78 U3 67.2(12) . . . . ?
C69A C77 C78 U3 -120(3) . . . . ?
C69B C77 C78 U3 -123.0(18) . . . . ?
C77 C78 C79 C80 1.0(18) . . . . ?
C70A C78 C79 C80 157(3) . . . . ?
C70B C78 C79 C80 174.2(18) . . . . ?
U3 C78 C79 C80 -67.7(11) . . . . ?
C77 C78 C79 C72B 179.9(19) . . . . ?
C70A C78 C79 C72B -24(4) . . . . ?
C70B C78 C79 C72B -7(3) . . . . ?
U3 C78 C79 C72B 111.1(18) . . . . ?
C77 C78 C79 C72A -170(2) . . . . ?
C70A C78 C79 C72A -13(5) . . . . ?
C70B C78 C79 C72A 4(3) . . . . ?
U3 C78 C79 C72A 122(2) . . . . ?
C77 C78 C79 U3 68.7(11) . . . . ?
C70A C78 C79 U3 -135(3) . . . . ?
C70B C78 C79 U3 -118.1(17) . . . . ?
C71B C72B C79 C80 -102(4) . . . . ?
C71B C72B C79 C78 80(4) . . . . ?
C71B C72B C79 C72A -89(5) . . . . ?
C71B C72B C79 U3 161(3) . . . . ?
C73A C72A C79 C80 120(3) . . . . ?
C71A C72A C79 C80 -115(3) . . . . ?
C73A C72A C79 C78 -70(4) . . . . ?
C71A C72A C79 C78 55(4) . . . . ?
C73A C72A C79 C72B -53(3) . . . . ?
C71A C72A C79 C72B 73(4) . . . . ?
C73A C72A C79 U3 36(4) . . . . ?
C71A C72A C79 U3 161(2) . . . . ?
C78 C79 C80 C76 -0.5(18) . . . . ?
C72B C79 C80 C76 -179(3) . . . . ?
C72A C79 C80 C76 173.2(14) . . . . ?
U3 C79 C80 C76 -69.2(11) . . . . ?
C78 C79 C80 C74A -170(2) . . . . ?
C72B C79 C80 C74A 12(5) . . . . ?
C72A C79 C80 C74A 3(3) . . . . ?
U3 C79 C80 C74A 121(3) . . . . ?
C78 C79 C80 C74B 179.7(18) . . . . ?
C72B C79 C80 C74B 2(4) . . . . ?
C72A C79 C80 C74B -7(2) . . . . ?
U3 C79 C80 C74B 111.1(17) . . . . ?
C78 C79 C80 U3 68.6(11) . . . . ?
C72B C79 C80 U3 -109(4) . . . . ?
C72A C79 C80 U3 -117.7(14) . . . . ?
C77 C76 C80 C79 -0.1(19) . . . . ?
C75B C76 C80 C79 -172(3) . . . . ?
C75A C76 C80 C79 -179.0(15) . . . . ?
U3 C76 C80 C79 70.7(11) . . . . ?
C77 C76 C80 C74A 172.8(17) . . . . ?
C75B C76 C80 C74A 1(4) . . . . ?
C75A C76 C80 C74A -6(2) . . . . ?
U3 C76 C80 C74A -116.4(15) . . . . ?
C77 C76 C80 C74B 179(3) . . . . ?
C75B C76 C80 C74B 7(5) . . . . ?
C75A C76 C80 C74B 1(4) . . . . ?
U3 C76 C80 C74B -110(3) . . . . ?
C77 C76 C80 U3 -70.8(12) . . . . ?
C75B C76 C80 U3 117(3) . . . . ?
C75A C76 C80 U3 110.4(14) . . . . ?
C94 C81 C83 C84 3(3) . . . . ?
U4 C81 C83 C84 47.2(18) . . . . ?
C94 C81 C83 U4 -44.3(18) . . . . ?
C81 C83 C84 C87 3(3) . . . . ?
U4 C83 C84 C87 49.9(14) . . . . ?
C81 C83 C84 Si7 -179.8(16) . . . . ?
U4 C83 C84 Si7 -132.7(9) . . . . ?
C81 C83 C84 U4 -47.1(18) . . . . ?
C83 C84 C87 C88 4(3) . . . . ?
Si7 C84 C87 C88 -173.4(15) . . . . ?
U4 C84 C87 C88 53.8(18) . . . . ?
C83 C84 C87 U4 -49.9(14) . . . . ?
Si7 C84 C87 U4 132.8(9) . . . . ?
C84 C87 C88 C91 -9(3) . . . . ?
U4 C87 C88 C91 45(2) . . . . ?
C84 C87 C88 U4 -53.9(18) . . . . ?
C87 C88 C91 C92 -4(4) . . . . ?
U4 C88 C91 C92 41(2) . . . . ?
C87 C88 C91 U4 -44(2) . . . . ?
C88 C91 C92 C94 15(3) . . . . ?
U4 C91 C92 C94 56.5(18) . . . . ?
C88 C91 C92 U4 -42(2) . . . . ?
C83 C81 C94 C92 -6(3) . . . . ?
U4 C81 C94 C92 -49.7(17) . . . . ?
C83 C81 C94 Si8 171.4(14) . . . . ?
U4 C81 C94 Si8 127.3(9) . . . . ?
C83 C81 C94 U4 44.1(17) . . . . ?
C91 C92 C94 C81 -6(3) . . . . ?
U4 C92 C94 C81 50.6(17) . . . . ?
C91 C92 C94 Si8 176.7(15) . . . . ?
U4 C92 C94 Si8 -126.4(9) . . . . ?
C91 C92 C94 U4 -56.9(18) . . . . ?
C105 C97 C98 C100 4(2) . . . . ?
C82B C97 C98 C100 -171.4(18) . . . . ?
C82A C97 C98 C100 -174(4) . . . . ?
U4 C97 C98 C100 72.8(14) . . . . ?
C105 C97 C98 C85A 168(3) . . . . ?
C82B C97 C98 C85A -7(4) . . . . ?
C82A C97 C98 C85A -10(6) . . . . ?
U4 C97 C98 C85A -123(3) . . . . ?
C105 C97 C98 C85B -178.1(15) . . . . ?
C82B C97 C98 C85B 7(3) . . . . ?
C82A C97 C98 C85B 4(5) . . . . ?
U4 C97 C98 C85B -109.1(15) . . . . ?
C105 C97 C98 U4 -68.9(10) . . . . ?
C82B C97 C98 U4 115.8(18) . . . . ?
C82A C97 C98 U4 113(4) . . . . ?
C97 C98 C100 C102 -5(2) . . . . ?
C85A C98 C100 C102 -173(2) . . . . ?
C85B C98 C100 C102 177.5(19) . . . . ?
U4 C98 C100 C102 66.0(11) . . . . ?
C97 C98 C100 C86B 167.5(16) . . . . ?
C85A C98 C100 C86B -1(3) . . . . ?
C85B C98 C100 C86B -10(3) . . . . ?
U4 C98 C100 C86B -121.6(15) . . . . ?
C97 C98 C100 C86A 166(3) . . . . ?
C85A C98 C100 C86A -2(4) . . . . ?
C85B C98 C100 C86A -12(4) . . . . ?
U4 C98 C100 C86A -123(3) . . . . ?
C97 C98 C100 U4 -71.0(13) . . . . ?
C85A C98 C100 U4 121(2) . . . . ?
C85B C98 C100 U4 111(2) . . . . ?
C98 C100 C102 C105 3.6(17) . . . . ?
C86B C100 C102 C105 -166(2) . . . . ?
C86A C100 C102 C105 -170.4(18) . . . . ?
U4 C100 C102 C105 67.9(9) . . . . ?
C98 C100 C102 C89B 171.4(18) . . . . ?
C86B C100 C102 C89B 1(3) . . . . ?
C86A C100 C102 C89B -3(3) . . . . ?
U4 C100 C102 C89B -124.4(17) . . . . ?
C98 C100 C102 C89A -177(3) . . . . ?
C86B C100 C102 C89A 13(4) . . . . ?
C86A C100 C102 C89A 9(3) . . . . ?
U4 C100 C102 C89A -113(3) . . . . ?
C98 C100 C102 U4 -64.2(12) . . . . ?
C86B C100 C102 U4 126(2) . . . . ?
C86A C100 C102 U4 121.8(18) . . . . ?
C98 C97 C105 C95 -178.9(15) . . . . ?
C82B C97 C105 C95 -4(3) . . . . ?
C82A C97 C105 C95 0(2) . . . . ?
U4 C97 C105 C95 112.8(16) . . . . ?
C98 C97 C105 C102 -1.4(16) . . . . ?
C82B C97 C105 C102 173(2) . . . . ?
C82A C97 C105 C102 177.5(18) . . . . ?
U4 C97 C105 C102 -69.7(9) . . . . ?
C98 C97 C105 U4 68.3(11) . . . . ?
C82B C97 C105 U4 -117(2) . . . . ?
C82A C97 C105 U4 -112.9(17) . . . . ?
C90 C95 C105 C97 -95(3) . . . . ?
C93 C95 C105 C97 125(2) . . . . ?
C90 C95 C105 C102 88(2) . . . . ?
C93 C95 C105 C102 -52(3) . . . . ?
C90 C95 C105 U4 -4(3) . . . . ?
C93 C95 C105 U4 -144.2(18) . . . . ?
C100 C102 C105 C97 -1.3(15) . . . . ?
C89B C102 C105 C97 -165(2) . . . . ?
C89A C102 C105 C97 179(2) . . . . ?
U4 C102 C105 C97 68.8(10) . . . . ?
C100 C102 C105 C95 176.3(14) . . . . ?
C89B C102 C105 C95 12(3) . . . . ?
C89A C102 C105 C95 -3(3) . . . . ?
U4 C102 C105 C95 -113.6(15) . . . . ?
C100 C102 C105 U4 -70.1(9) . . . . ?
C89B C102 C105 U4 126(2) . . . . ?
C89A C102 C105 U4 110.2(19) . . . . ?
O3 C1 O2 U1 -2.1(12) . . . . ?
O1 C1 O2 U1 -177.3(11) . . . . ?
O2 C1 O3 U1 2.1(12) . . . . ?
O1 C1 O3 U1 177.1(11) . . . . ?
O5 C2 O4 U3 0.4(12) . . . . ?
O6 C2 O4 U3 178.2(11) . . . . ?
O6 C2 O5 U3 -178.1(12) . . . . ?
O4 C2 O5 U3 -0.4(12) . . . . ?
C3 C10 Si2 C11 47.4(12) . . . . ?
C9 C10 Si2 C11 -134.4(12) . . . . ?
U1 C10 Si2 C11 -41.8(11) . . . . ?
C3 C10 Si2 C12 -70.8(12) . . . . ?
C9 C10 Si2 C12 107.4(12) . . . . ?
U1 C10 Si2 C12 -160.0(9) . . . . ?
C3 C10 Si2 C13 171.6(10) . . . . ?
C9 C10 Si2 C13 -10.2(14) . . . . ?
U1 C10 Si2 C13 82.4(11) . . . . ?
C33 C32 Si3 C38 -108.2(12) . . . . ?
C31 C32 Si3 C38 66.3(13) . . . . ?
U2 C32 Si3 C38 157.5(9) . . . . ?
C33 C32 Si3 C37 131.1(12) . . . . ?
C31 C32 Si3 C37 -54.5(13) . . . . ?
U2 C32 Si3 C37 36.7(11) . . . . ?
C33 C32 Si3 C39 10.1(15) . . . . ?
C31 C32 Si3 C39 -175.4(12) . . . . ?
U2 C32 Si3 C39 -84.3(11) . . . . ?
C36 C30 Si4 C40 -16.6(14) . . . . ?
C29 C30 Si4 C40 170.8(11) . . . . ?
U2 C30 Si4 C40 77.1(11) . . . . ?
C36 C30 Si4 C42 101.7(12) . . . . ?
C29 C30 Si4 C42 -71.0(13) . . . . ?
U2 C30 Si4 C42 -164.6(9) . . . . ?
C36 C30 Si4 C41 -141.3(11) . . . . ?
C29 C30 Si4 C41 46.1(13) . . . . ?
U2 C30 Si4 C41 -47.5(11) . . . . ?
C56 C57 Si5 C67 -172.3(12) . . . . ?
C58 C57 Si5 C67 17.8(14) . . . . ?
U3 C57 Si5 C67 -78.0(12) . . . . ?
C56 C57 Si5 C66 70.0(14) . . . . ?
C58 C57 Si5 C66 -100.0(12) . . . . ?
U3 C57 Si5 C66 164.3(9) . . . . ?
C56 C57 Si5 C68 -49.0(14) . . . . ?
C58 C57 Si5 C68 141.1(11) . . . . ?
U3 C57 Si5 C68 45.3(11) . . . . ?
C55 C62 Si6 C64 -14.1(16) . . . . ?
C61 C62 Si6 C64 159.9(12) . . . . ?
U3 C62 Si6 C64 -110.7(11) . . . . ?
C55 C62 Si6 C63 109.7(13) . . . . ?
C61 C62 Si6 C63 -76.3(13) . . . . ?
U3 C62 Si6 C63 13.1(12) . . . . ?
C55 C62 Si6 C65 -130.7(13) . . . . ?
C61 C62 Si6 C65 43.3(13) . . . . ?
U3 C62 Si6 C65 132.7(10) . . . . ?
C87 C84 Si7 C103 -148.2(12) . . . . ?
C83 C84 Si7 C103 34.1(13) . . . . ?
U4 C84 Si7 C103 -55.4(11) . . . . ?
C87 C84 Si7 C106 -26.4(14) . . . . ?
C83 C84 Si7 C106 155.9(12) . . . . ?
U4 C84 Si7 C106 66.4(12) . . . . ?
C87 C84 Si7 C104 93.9(12) . . . . ?
C83 C84 Si7 C104 -83.8(12) . . . . ?
U4 C84 Si7 C104 -173.3(9) . . . . ?

_refine_diff_density_max         1.592
_refine_diff_density_min         -1.460
_refine_diff_density_rms         0.153

_shelxl_version_number           2013-3


_database_code_depnum_ccdc_archive 'CCDC 1000016'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_13

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        13
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C55 H90 O3 Si4 U2'
_chemical_formula_sum            'C55 H90 O3 Si4 U2'
_chemical_formula_weight         1387.68

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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'

_cell_length_a                   11.737(2)
_cell_length_b                   18.983(4)
_cell_length_c                   25.761(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.43(3)
_cell_angle_gamma                90
_cell_volume                     5714(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    74450
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Plate
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_F_000             2736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    5.784
_shelx_estimated_absorpt_T_min   0.544
_shelx_estimated_absorpt_T_max   0.893
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5436
_exptl_absorpt_correction_T_max  0.8931
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean 9
_diffrn_reflns_number            69173
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_av_R_equivalents  0.1207
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.922
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             13030
_reflns_number_gt                10213
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0603P)²+5.7493P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13030
_refine_ls_number_parameters     577
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0443
_refine_ls_wR_factor_ref         0.1142
_refine_ls_wR_factor_gt          0.1035
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.2567(5) 0.1039(3) 0.2494(2) 0.0228(13) Uani 1 1 d . . . . .
C2 C 0.3730(5) 0.1849(3) 0.3722(2) 0.0216(13) Uani 1 1 d . . . . .
H2 H 0.4335 0.2024 0.3538 0.026 Uiso 1 1 calc R U . . .
C3 C 0.4086(5) 0.1270(3) 0.4039(2) 0.0211(13) Uani 1 1 d . . . . .
C4 C 0.3503(5) 0.0879(3) 0.4392(2) 0.0222(13) Uani 1 1 d . . . . .
H4 H 0.3957 0.0501 0.4540 0.027 Uiso 1 1 calc R U . . .
C5 C 0.2429(5) 0.0899(3) 0.4585(2) 0.0222(13) Uani 1 1 d . . . . .
H5 H 0.2366 0.0566 0.4856 0.027 Uiso 1 1 calc R U . . .
C6 C 0.1408(5) 0.1295(3) 0.4474(2) 0.0233(13) Uani 1 1 d . . . . .
H6 H 0.0833 0.1171 0.4693 0.028 Uiso 1 1 calc R U . . .
C7 C 0.1566(5) 0.2237(3) 0.3741(2) 0.0260(14) Uani 1 1 d . . . . .
C8 C 0.2712(5) 0.2238(3) 0.3604(2) 0.0244(13) Uani 1 1 d . . . . .
H8 H 0.2826 0.2605 0.3364 0.029 Uiso 1 1 calc R U . . .
C9 C 0.1051(5) 0.1824(3) 0.4119(2) 0.0241(13) Uani 1 1 d . . . . .
H9 H 0.0266 0.1939 0.4132 0.029 Uiso 1 1 calc R U . . .
C10 C -0.0667(7) 0.2425(4) 0.3028(3) 0.056(2) Uani 1 1 d . . . . .
H10A H -0.1057 0.2128 0.3267 0.084 Uiso 1 1 calc R U . . .
H10B H -0.0376 0.2130 0.2758 0.084 Uiso 1 1 calc R U . . .
H10C H -0.1207 0.2772 0.2865 0.084 Uiso 1 1 calc R U . . .
C11 C -0.0017(8) 0.3469(4) 0.3896(3) 0.054(2) Uani 1 1 d . . . . .
H11A H -0.0402 0.3180 0.4142 0.081 Uiso 1 1 calc R U . . .
H11B H -0.0564 0.3805 0.3724 0.081 Uiso 1 1 calc R U . . .
H11C H 0.0616 0.3727 0.4085 0.081 Uiso 1 1 calc R U . . .
C12 C 0.1279(7) 0.3451(5) 0.2938(4) 0.062(3) Uani 1 1 d . . . . .
H12A H 0.1583 0.3153 0.2673 0.093 Uiso 1 1 calc R U . . .
H12B H 0.1909 0.3708 0.3130 0.093 Uiso 1 1 calc R U . . .
H12C H 0.0730 0.3788 0.2768 0.093 Uiso 1 1 calc R U . . .
C13 C 0.6001(6) 0.0986(5) 0.3314(3) 0.045(2) Uani 1 1 d . . . . .
H13A H 0.5804 0.1431 0.3135 0.068 Uiso 1 1 calc R U . . .
H13B H 0.5567 0.0601 0.3135 0.068 Uiso 1 1 calc R U . . .
H13C H 0.6823 0.0896 0.3309 0.068 Uiso 1 1 calc R U . . .
C14 C 0.6020(6) 0.0193(4) 0.4342(3) 0.0374(17) Uani 1 1 d . . . . .
H14A H 0.5830 0.0223 0.4703 0.056 Uiso 1 1 calc R U . . .
H14B H 0.6841 0.0104 0.4337 0.056 Uiso 1 1 calc R U . . .
H14C H 0.5585 -0.0192 0.4164 0.056 Uiso 1 1 calc R U . . .
C15 C 0.1468(5) -0.0449(3) 0.2475(2) 0.0260(14) Uani 1 1 d . . . . .
H15A H 0.2168 -0.0733 0.2487 0.039 Uiso 1 1 calc R U . . .
H15B H 0.1585 -0.0005 0.2293 0.039 Uiso 1 1 calc R U . . .
H15C H 0.0835 -0.0710 0.2288 0.039 Uiso 1 1 calc R U . . .
C16 C 0.6519(6) 0.1753(4) 0.4347(3) 0.0441(19) Uani 1 1 d . . . . .
H16A H 0.6331 0.1783 0.4709 0.066 Uiso 1 1 calc R U . . .
H16B H 0.6349 0.2205 0.4172 0.066 Uiso 1 1 calc R U . . .
H16C H 0.7334 0.1645 0.4341 0.066 Uiso 1 1 calc R U . . .
C17 C -0.0641(5) 0.0431(4) 0.2711(3) 0.0339(16) Uani 1 1 d . . . . .
H17A H -0.0362 0.0368 0.2367 0.051 Uiso 1 1 calc R U . . .
H17B H -0.0724 0.0935 0.2781 0.051 Uiso 1 1 calc R U . . .
H17C H -0.1384 0.0198 0.2717 0.051 Uiso 1 1 calc R U . . .
C18 C -0.0903(5) 0.0383(4) 0.3920(3) 0.0314(15) Uani 1 1 d . . . . .
H18A H -0.0770 0.0310 0.4298 0.047 Uiso 1 1 calc R U . . .
H18B H -0.1603 0.0136 0.3786 0.047 Uiso 1 1 calc R U . . .
H18C H -0.0986 0.0888 0.3847 0.047 Uiso 1 1 calc R U . . .
C19 C 0.0996(6) -0.0571(4) 0.4460(2) 0.0312(15) Uani 1 1 d . . . . .
H19A H 0.0421 -0.0303 0.4630 0.047 Uiso 1 1 calc R U . . .
H19B H 0.1753 -0.0493 0.4646 0.047 Uiso 1 1 calc R U . . .
H19C H 0.0809 -0.1074 0.4467 0.047 Uiso 1 1 calc R U . . .
C20 C 0.3687(7) -0.0921(5) 0.3270(4) 0.065(3) Uani 1 1 d . . . . .
H20A H 0.3997 -0.0465 0.3394 0.097 Uiso 1 1 calc R U . . .
H20B H 0.3435 -0.0888 0.2897 0.097 Uiso 1 1 calc R U . . .
H20C H 0.4281 -0.1283 0.3326 0.097 Uiso 1 1 calc R U . . .
C21 C 0.2667(6) -0.1117(3) 0.3570(3) 0.0300(15) Uani 1 1 d . . . . .
C22 C 0.3189(7) -0.1222(4) 0.4132(3) 0.045(2) Uani 1 1 d . . . . .
H22A H 0.3513 -0.0776 0.4268 0.068 Uiso 1 1 calc R U . . .
H22B H 0.3794 -0.1579 0.4139 0.068 Uiso 1 1 calc R U . . .
H22C H 0.2593 -0.1380 0.4347 0.068 Uiso 1 1 calc R U . . .
C23 C 0.2182(8) -0.1820(4) 0.3381(4) 0.062(3) Uani 1 1 d . . . . .
H23A H 0.1841 -0.1773 0.3020 0.093 Uiso 1 1 calc R U . . .
H23B H 0.1595 -0.1971 0.3603 0.093 Uiso 1 1 calc R U . . .
H23C H 0.2797 -0.2171 0.3396 0.093 Uiso 1 1 calc R U . . .
C24 C 0.1693(5) -0.0570(3) 0.3513(2) 0.0218(12) Uani 1 1 d . . . . .
C25 C 0.1002(5) -0.0331(3) 0.3905(2) 0.0237(13) Uani 1 1 d . . . . .
C26 C 0.0090(5) 0.0099(3) 0.3662(3) 0.0259(14) Uani 1 1 d . . . . .
C27 C 0.4131(5) 0.2464(3) 0.0850(2) 0.0257(14) Uani 1 1 d . . . . .
C28 C 0.0200(5) 0.0112(3) 0.3121(2) 0.0210(12) Uani 1 1 d . . . . .
C29 C 0.1185(5) -0.0294(3) 0.3025(2) 0.0218(13) Uani 1 1 d . . . . .
C30 C 0.1114(5) 0.0940(3) 0.0682(2) 0.0236(13) Uani 1 1 d . . . . .
C31 C 0.1392(5) 0.0357(3) 0.1018(2) 0.0225(13) Uani 1 1 d . . . . .
H31 H 0.0755 0.0220 0.1196 0.027 Uiso 1 1 calc R U . . .
C32 C 0.2345(5) -0.0071(3) 0.1159(2) 0.0257(14) Uani 1 1 d . . . . .
H32 H 0.2171 -0.0413 0.1409 0.031 Uiso 1 1 calc R U . . .
C33 C 0.3492(5) -0.0143(4) 0.1038(2) 0.0276(14) Uani 1 1 d . . . . .
C34 C 0.4082(5) 0.0218(4) 0.0660(2) 0.0258(14) Uani 1 1 d . . . . .
H34 H 0.4860 0.0078 0.0668 0.031 Uiso 1 1 calc R U . . .
C35 C 0.3794(6) 0.0734(3) 0.0276(2) 0.0279(14) Uani 1 1 d . . . . .
H35 H 0.4390 0.0803 0.0056 0.033 Uiso 1 1 calc R U . . .
C36 C 0.2844(5) 0.1174(4) 0.0135(2) 0.0263(14) Uani 1 1 d . . . . .
H36 H 0.2966 0.1474 -0.0149 0.032 Uiso 1 1 calc R U . . .
C37 C 0.1758(5) 0.1274(3) 0.0317(2) 0.0243(13) Uani 1 1 d . . . . .
H37 H 0.1362 0.1663 0.0152 0.029 Uiso 1 1 calc R U . . .
C38 C 0.3434(7) -0.1544(4) 0.1630(3) 0.0427(18) Uani 1 1 d . . . . .
H38A H 0.2849 -0.1353 0.1838 0.064 Uiso 1 1 calc R U . . .
H38B H 0.3894 -0.1894 0.1836 0.064 Uiso 1 1 calc R U . . .
H38C H 0.3064 -0.1766 0.1315 0.064 Uiso 1 1 calc R U . . .
C39 C 0.5122(7) -0.0406(4) 0.2046(3) 0.048(2) Uani 1 1 d . . . . .
H39A H 0.4550 -0.0202 0.2256 0.072 Uiso 1 1 calc R U . . .
H39B H 0.5641 -0.0035 0.1949 0.072 Uiso 1 1 calc R U . . .
H39C H 0.5560 -0.0768 0.2249 0.072 Uiso 1 1 calc R U . . .
C40 C 0.5472(7) -0.1193(4) 0.1050(3) 0.054(2) Uani 1 1 d . . . . .
H40A H 0.5979 -0.0818 0.0947 0.081 Uiso 1 1 calc R U . . .
H40B H 0.5093 -0.1418 0.0738 0.081 Uiso 1 1 calc R U . . .
H40C H 0.5923 -0.1545 0.1259 0.081 Uiso 1 1 calc R U . . .
C41 C -0.0670(6) 0.2136(4) 0.0394(3) 0.0399(18) Uani 1 1 d . . . . .
H41A H -0.0204 0.2480 0.0603 0.060 Uiso 1 1 calc R U . . .
H41B H -0.1481 0.2261 0.0391 0.060 Uiso 1 1 calc R U . . .
H41C H -0.0451 0.2136 0.0036 0.060 Uiso 1 1 calc R U . . .
C42 C -0.1319(6) 0.0592(5) 0.0285(3) 0.054(2) Uani 1 1 d . . . . .
H42A H -0.1197 0.0120 0.0435 0.081 Uiso 1 1 calc R U . . .
H42B H -0.1099 0.0594 -0.0072 0.081 Uiso 1 1 calc R U . . .
H42C H -0.2128 0.0719 0.0282 0.081 Uiso 1 1 calc R U . . .
C43 C -0.0862(6) 0.1253(4) 0.1365(3) 0.0390(18) Uani 1 1 d . . . . .
H43A H -0.0390 0.1595 0.1573 0.058 Uiso 1 1 calc R U . . .
H43B H -0.0751 0.0783 0.1520 0.058 Uiso 1 1 calc R U . . .
H43C H -0.1670 0.1386 0.1358 0.058 Uiso 1 1 calc R U . . .
C44 C 0.2009(6) 0.3427(4) 0.0838(3) 0.0361(16) Uani 1 1 d . . . . .
H44A H 0.2591 0.3714 0.0689 0.054 Uiso 1 1 calc R U . . .
H44B H 0.1350 0.3722 0.0899 0.054 Uiso 1 1 calc R U . . .
H44C H 0.1764 0.3047 0.0595 0.054 Uiso 1 1 calc R U . . .
C45 C 0.2839(6) 0.3733(4) 0.1723(3) 0.0361(17) Uani 1 1 d . . . . .
H45A H 0.3169 0.3554 0.2062 0.054 Uiso 1 1 calc R U . . .
H45B H 0.2152 0.4010 0.1772 0.054 Uiso 1 1 calc R U . . .
H45C H 0.3401 0.4031 0.1570 0.054 Uiso 1 1 calc R U . . .
C46 C 0.1577(5) 0.2665(4) 0.1573(3) 0.0327(15) Uani 1 1 d . . . . .
H46A H 0.1875 0.2453 0.1905 0.049 Uiso 1 1 calc R U . . .
H46B H 0.1335 0.2291 0.1324 0.049 Uiso 1 1 calc R U . . .
H46C H 0.0921 0.2966 0.1628 0.049 Uiso 1 1 calc R U . . .
C47 C 0.2516(5) 0.3108(3) 0.1357(2) 0.0263(14) Uani 1 1 d . . . . .
C48 C 0.3951(6) 0.2768(4) 0.0309(2) 0.0323(15) Uani 1 1 d . . . . .
H48A H 0.4455 0.2530 0.0083 0.048 Uiso 1 1 calc R U . . .
H48B H 0.4128 0.3273 0.0321 0.048 Uiso 1 1 calc R U . . .
H48C H 0.3152 0.2700 0.0170 0.048 Uiso 1 1 calc R U . . .
C49 C 0.3592(5) 0.2644(3) 0.1306(2) 0.0221(13) Uani 1 1 d . . . . .
C50 C 0.4114(5) 0.2391(3) 0.2320(2) 0.0268(14) Uani 1 1 d . . . . .
H50A H 0.3441 0.2678 0.2372 0.040 Uiso 1 1 calc R U . . .
H50B H 0.4803 0.2625 0.2481 0.040 Uiso 1 1 calc R U . . .
H50C H 0.4037 0.1927 0.2480 0.040 Uiso 1 1 calc R U . . .
C51 C 0.4208(5) 0.2302(3) 0.1746(2) 0.0221(13) Uani 1 1 d . . . . .
C52 C 0.5102(5) 0.1909(3) 0.1556(2) 0.0260(14) Uani 1 1 d . . . . .
C53 C 0.5981(5) 0.1485(4) 0.1887(3) 0.0328(16) Uani 1 1 d . . . . .
H53A H 0.6508 0.1263 0.1663 0.049 Uiso 1 1 calc R U . . .
H53B H 0.5595 0.1121 0.2075 0.049 Uiso 1 1 calc R U . . .
H53C H 0.6412 0.1797 0.2137 0.049 Uiso 1 1 calc R U . . .
C54 C 0.5986(5) 0.1766(4) 0.0677(3) 0.0311(15) Uani 1 1 d . . . . .
H54A H 0.5774 0.1897 0.0313 0.047 Uiso 1 1 calc R U . . .
H54B H 0.6062 0.1253 0.0704 0.047 Uiso 1 1 calc R U . . .
H54C H 0.6716 0.1988 0.0799 0.047 Uiso 1 1 calc R U . . .
C55 C 0.5074(5) 0.2011(3) 0.1006(2) 0.0261(14) Uani 1 1 d . . . . .
O1 O 0.1646(4) 0.1308(2) 0.26439(16) 0.0251(10) Uani 1 1 d . . . . .
O2 O 0.3228(3) 0.0694(2) 0.28340(16) 0.0234(9) Uani 1 1 d . . . . .
O3 O 0.2827(4) 0.1089(2) 0.20151(17) 0.0311(10) Uani 1 1 d . . . . .
Si1 Si -0.04310(15) 0.12398(10) 0.06839(7) 0.0279(4) Uani 1 1 d . . . . .
Si2 Si 0.43818(16) -0.08123(10) 0.14416(7) 0.0300(4) Uani 1 1 d . . . . .
Si3 Si 0.56437(14) 0.10411(10) 0.39997(7) 0.0249(4) Uani 1 1 d . . . . .
Si4 Si 0.05501(16) 0.28918(10) 0.33978(7) 0.0305(4) Uani 1 1 d . . . . .
U1 U 0.20540(2) 0.08860(2) 0.35308(2) 0.01660(7) Uani 1 1 d . . . . .
U2 U 0.31495(2) 0.12332(2) 0.11883(2) 0.01799(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 1.287(7) . ?
C1 O2 1.291(7) . ?
C1 O3 1.302(7) . ?
C1 U1 2.808(6) . ?
C2 C3 1.409(8) . ?
C2 C8 1.412(8) . ?
C2 U1 2.696(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.403(8) . ?
C3 Si3 1.891(6) . ?
C3 U1 2.710(6) . ?
C4 C5 1.398(8) . ?
C4 U1 2.666(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.421(8) . ?
C5 U1 2.709(5) . ?
C5 H5 0.9500 . ?
C6 C9 1.395(8) . ?
C6 U1 2.726(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.424(9) . ?
C7 C9 1.429(9) . ?
C7 Si4 1.883(6) . ?
C7 U1 2.695(6) . ?
C8 U1 2.681(6) . ?
C8 H8 0.9500 . ?
C9 U1 2.682(6) . ?
C9 H9 0.9500 . ?
C10 Si4 1.864(8) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si4 1.858(8) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si4 1.859(8) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si3 1.857(7) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 Si3 1.867(7) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C29 1.515(8) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 Si3 1.873(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C28 1.504(8) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C26 1.496(8) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C25 1.501(8) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.531(10) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C23 1.513(10) . ?
C21 C22 1.530(10) . ?
C21 C24 1.542(9) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.428(8) . ?
C24 C29 1.438(8) . ?
C24 U1 2.796(6) . ?
C25 C26 1.442(9) . ?
C25 U1 2.832(6) . ?
C26 C28 1.410(8) . ?
C26 U1 2.794(6) . ?
C27 C49 1.426(9) . ?
C27 C55 1.429(8) . ?
C27 C48 1.507(8) . ?
C27 U2 2.781(6) . ?
C28 C29 1.431(8) . ?
C28 U1 2.752(5) . ?
C29 U1 2.740(6) . ?
C30 C37 1.412(9) . ?
C30 C31 1.424(8) . ?
C30 Si1 1.901(6) . ?
C30 U2 2.669(6) . ?
C31 C32 1.403(8) . ?
C31 U2 2.654(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.417(9) . ?
C32 U2 2.648(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.423(9) . ?
C33 Si2 1.893(7) . ?
C33 U2 2.677(7) . ?
C34 C35 1.408(9) . ?
C34 U2 2.654(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.413(9) . ?
C35 U2 2.707(6) . ?
C35 H35 0.9500 . ?
C36 C37 1.411(9) . ?
C36 U2 2.704(6) . ?
C36 H36 0.9500 . ?
C37 U2 2.650(6) . ?
C37 H37 0.9500 . ?
C38 Si2 1.871(8) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 Si2 1.876(8) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 Si2 1.850(8) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 Si1 1.868(8) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 Si1 1.858(7) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 Si1 1.872(7) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C47 1.534(9) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C47 1.541(9) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.533(9) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C49 1.556(9) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C51 1.442(8) . ?
C49 U2 2.740(6) . ?
C50 C51 1.500(8) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.412(9) . ?
C51 U2 2.718(6) . ?
C52 C55 1.425(9) . ?
C52 C53 1.508(8) . ?
C52 U2 2.717(6) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C55 1.501(9) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 U2 2.775(6) . ?
O1 U1 2.426(4) . ?
O2 U1 2.392(4) . ?
O3 U2 2.215(5) . ?

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
O1 C1 O2 117.7(5) . . ?
O1 C1 O3 122.3(6) . . ?
O2 C1 O3 120.0(6) . . ?
O1 C1 U1 59.6(3) . . ?
O2 C1 U1 58.1(3) . . ?
O3 C1 U1 177.9(5) . . ?
C3 C2 C8 137.0(6) . . ?
C3 C2 U1 75.4(3) . . ?
C8 C2 U1 74.2(3) . . ?
C3 C2 H2 111.5 . . ?
C8 C2 H2 111.5 . . ?
U1 C2 H2 135.5 . . ?
C4 C3 C2 130.8(6) . . ?
C4 C3 Si3 116.5(4) . . ?
C2 C3 Si3 112.6(4) . . ?
C4 C3 U1 73.1(3) . . ?
C2 C3 U1 74.3(3) . . ?
Si3 C3 U1 136.4(3) . . ?
C5 C4 C3 136.6(6) . . ?
C5 C4 U1 76.6(3) . . ?
C3 C4 U1 76.6(3) . . ?
C5 C4 H4 111.7 . . ?
C3 C4 H4 111.7 . . ?
U1 C4 H4 128.8 . . ?
C4 C5 C6 135.7(6) . . ?
C4 C5 U1 73.2(3) . . ?
C6 C5 U1 75.5(3) . . ?
C4 C5 H5 112.2 . . ?
C6 C5 H5 112.2 . . ?
U1 C5 H5 135.6 . . ?
C9 C6 C5 135.1(6) . . ?
C9 C6 U1 73.3(3) . . ?
C5 C6 U1 74.2(3) . . ?
C9 C6 H6 112.5 . . ?
C5 C6 H6 112.5 . . ?
U1 C6 H6 137.1 . . ?
C8 C7 C9 129.8(6) . . ?
C8 C7 Si4 117.1(5) . . ?
C9 C7 Si4 113.1(4) . . ?
C8 C7 U1 74.1(3) . . ?
C9 C7 U1 74.1(3) . . ?
Si4 C7 U1 132.1(3) . . ?
C2 C8 C7 138.3(6) . . ?
C2 C8 U1 75.3(3) . . ?
C7 C8 U1 75.2(4) . . ?
C2 C8 H8 110.8 . . ?
C7 C8 H8 110.8 . . ?
U1 C8 H8 135.6 . . ?
C6 C9 C7 136.2(6) . . ?
C6 C9 U1 76.8(3) . . ?
C7 C9 U1 75.1(3) . . ?
C6 C9 H9 111.9 . . ?
C7 C9 H9 111.9 . . ?
U1 C9 H9 130.6 . . ?
Si4 C10 H10A 109.5 . . ?
Si4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si4 C11 H11A 109.5 . . ?
Si4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si4 C12 H12A 109.5 . . ?
Si4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C29 C15 H15A 109.5 . . ?
C29 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C29 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C28 C17 H17A 109.5 . . ?
C28 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C28 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C26 C18 H18A 109.5 . . ?
C26 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C26 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C25 C19 H19A 109.5 . . ?
C25 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C25 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C23 C21 C22 107.1(6) . . ?
C23 C21 C20 109.9(7) . . ?
C22 C21 C20 104.4(6) . . ?
C23 C21 C24 108.1(6) . . ?
C22 C21 C24 113.8(6) . . ?
C20 C21 C24 113.3(6) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C29 106.7(5) . . ?
C25 C24 C21 127.8(5) . . ?
C29 C24 C21 124.7(5) . . ?
C25 C24 U1 76.7(3) . . ?
C29 C24 U1 72.8(3) . . ?
C21 C24 U1 123.7(4) . . ?
C24 C25 C26 108.6(5) . . ?
C24 C25 C19 129.2(6) . . ?
C26 C25 C19 121.1(6) . . ?
C24 C25 U1 73.9(3) . . ?
C26 C25 U1 73.7(3) . . ?
C19 C25 U1 127.8(4) . . ?
C28 C26 C25 107.8(5) . . ?
C28 C26 C18 125.6(6) . . ?
C25 C26 C18 125.9(6) . . ?
C28 C26 U1 73.6(3) . . ?
C25 C26 U1 76.6(3) . . ?
C18 C26 U1 123.2(4) . . ?
C49 C27 C55 107.8(5) . . ?
C49 C27 C48 129.4(6) . . ?
C55 C27 C48 121.9(6) . . ?
C49 C27 U2 73.5(3) . . ?
C55 C27 U2 74.9(3) . . ?
C48 C27 U2 125.9(4) . . ?
C26 C28 C29 108.3(5) . . ?
C26 C28 C17 125.8(6) . . ?
C29 C28 C17 125.6(5) . . ?
C26 C28 U1 76.9(3) . . ?
C29 C28 U1 74.5(3) . . ?
C17 C28 U1 119.8(4) . . ?
C28 C29 C24 108.6(5) . . ?
C28 C29 C15 121.3(5) . . ?
C24 C29 C15 129.7(6) . . ?
C28 C29 U1 75.3(3) . . ?
C24 C29 U1 77.1(3) . . ?
C15 C29 U1 119.9(4) . . ?
C37 C30 C31 130.4(6) . . ?
C37 C30 Si1 116.0(4) . . ?
C31 C30 Si1 113.2(5) . . ?
C37 C30 U2 73.8(3) . . ?
C31 C30 U2 73.9(3) . . ?
Si1 C30 U2 138.3(3) . . ?
C32 C31 C30 137.6(6) . . ?
C32 C31 U2 74.4(3) . . ?
C30 C31 U2 75.1(4) . . ?
C32 C31 H31 111.2 . . ?
C30 C31 H31 111.2 . . ?
U2 C31 H31 136.7 . . ?
C31 C32 C33 138.6(6) . . ?
C31 C32 U2 74.9(4) . . ?
C33 C32 U2 75.7(4) . . ?
C31 C32 H32 110.7 . . ?
C33 C32 H32 110.7 . . ?
U2 C32 H32 135.9 . . ?
C32 C33 C34 129.6(6) . . ?
C32 C33 Si2 115.4(5) . . ?
C34 C33 Si2 114.9(5) . . ?
C32 C33 U2 73.5(4) . . ?
C34 C33 U2 73.6(4) . . ?
Si2 C33 U2 131.2(3) . . ?
C35 C34 C33 135.7(6) . . ?
C35 C34 U2 76.9(4) . . ?
C33 C34 U2 75.4(4) . . ?
C35 C34 H34 112.2 . . ?
C33 C34 H34 112.2 . . ?
U2 C34 H34 129.4 . . ?
C36 C35 C34 136.2(6) . . ?
C36 C35 U2 74.8(3) . . ?
C34 C35 U2 72.7(3) . . ?
C36 C35 H35 111.9 . . ?
C34 C35 H35 111.9 . . ?
U2 C35 H35 138.7 . . ?
C35 C36 C37 135.3(6) . . ?
C35 C36 U2 75.0(3) . . ?
C37 C36 U2 72.6(3) . . ?
C35 C36 H36 112.4 . . ?
C37 C36 H36 112.4 . . ?
U2 C36 H36 137.2 . . ?
C36 C37 C30 135.8(6) . . ?
C36 C37 U2 76.9(3) . . ?
C30 C37 U2 75.4(3) . . ?
C36 C37 H37 112.1 . . ?
C30 C37 H37 112.1 . . ?
U2 C37 H37 129.7 . . ?
Si2 C38 H38A 109.5 . . ?
Si2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si2 C39 H39A 109.5 . . ?
Si2 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si2 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si2 C40 H40A 109.5 . . ?
Si2 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si2 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si1 C41 H41A 109.5 . . ?
Si1 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si1 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si1 C42 H42A 109.5 . . ?
Si1 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si1 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si1 C43 H43A 109.5 . . ?
Si1 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si1 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C47 C44 H44A 109.5 . . ?
C47 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C47 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C47 C45 H45A 109.5 . . ?
C47 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C47 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 H46A 109.5 . . ?
C47 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C47 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 C46 107.4(5) . . ?
C44 C47 C45 106.5(5) . . ?
C46 C47 C45 110.1(6) . . ?
C44 C47 C49 113.6(5) . . ?
C46 C47 C49 109.7(5) . . ?
C45 C47 C49 109.5(5) . . ?
C27 C48 H48A 109.5 . . ?
C27 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C27 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C27 C49 C51 108.1(5) . . ?
C27 C49 C47 129.2(5) . . ?
C51 C49 C47 122.6(5) . . ?
C27 C49 U2 76.6(4) . . ?
C51 C49 U2 73.8(3) . . ?
C47 C49 U2 114.6(4) . . ?
C51 C50 H50A 109.5 . . ?
C51 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C51 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52 C51 C49 107.3(5) . . ?
C52 C51 C50 121.9(5) . . ?
C49 C51 C50 130.3(6) . . ?
C52 C51 U2 74.9(3) . . ?
C49 C51 U2 75.5(3) . . ?
C50 C51 U2 122.1(4) . . ?
C51 C52 C55 109.1(5) . . ?
C51 C52 C53 125.1(6) . . ?
C55 C52 C53 125.7(6) . . ?
C51 C52 U2 75.0(3) . . ?
C55 C52 U2 77.2(3) . . ?
C53 C52 U2 117.0(4) . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C55 C54 H54A 109.5 . . ?
C55 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C55 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C52 C55 C27 107.8(6) . . ?
C52 C55 C54 124.7(5) . . ?
C27 C55 C54 127.0(6) . . ?
C52 C55 U2 72.7(4) . . ?
C27 C55 U2 75.3(3) . . ?
C54 C55 U2 124.5(4) . . ?
C1 O1 U1 93.1(3) . . ?
C1 O2 U1 94.6(3) . . ?
C1 O3 U2 175.3(5) . . ?
C42 Si1 C41 109.1(4) . . ?
C42 Si1 C43 109.9(4) . . ?
C41 Si1 C43 108.6(3) . . ?
C42 Si1 C30 106.6(3) . . ?
C41 Si1 C30 112.2(3) . . ?
C43 Si1 C30 110.4(3) . . ?
C40 Si2 C38 108.1(4) . . ?
C40 Si2 C39 108.9(4) . . ?
C38 Si2 C39 109.2(4) . . ?
C40 Si2 C33 109.7(3) . . ?
C38 Si2 C33 109.3(3) . . ?
C39 Si2 C33 111.6(3) . . ?
C13 Si3 C14 109.6(4) . . ?
C13 Si3 C16 109.4(4) . . ?
C14 Si3 C16 107.6(3) . . ?
C13 Si3 C3 111.7(3) . . ?
C14 Si3 C3 111.1(3) . . ?
C16 Si3 C3 107.3(3) . . ?
C12 Si4 C11 108.7(4) . . ?
C12 Si4 C10 108.8(4) . . ?
C11 Si4 C10 109.0(4) . . ?
C12 Si4 C7 111.5(3) . . ?
C11 Si4 C7 108.5(3) . . ?
C10 Si4 C7 110.3(3) . . ?
O2 U1 O1 54.52(14) . . ?
O2 U1 C4 104.87(16) . . ?
O1 U1 C4 147.09(17) . . ?
O2 U1 C8 90.89(17) . . ?
O1 U1 C8 77.28(16) . . ?
C4 U1 C8 77.86(18) . . ?
O2 U1 C9 147.14(17) . . ?
O1 U1 C9 104.77(16) . . ?
C4 U1 C9 79.21(18) . . ?
C8 U1 C9 57.59(19) . . ?
O2 U1 C7 116.37(17) . . ?
O1 U1 C7 81.26(16) . . ?
C4 U1 C7 88.22(18) . . ?
C8 U1 C7 30.71(19) . . ?
C9 U1 C7 30.82(19) . . ?
O2 U1 C2 77.16(16) . . ?
O1 U1 C2 91.33(16) . . ?
C4 U1 C2 56.96(18) . . ?
C8 U1 C2 30.46(17) . . ?
C9 U1 C2 78.39(19) . . ?
C7 U1 C2 58.90(18) . . ?
O2 U1 C5 134.67(16) . . ?
O1 U1 C5 160.02(16) . . ?
C4 U1 C5 30.14(18) . . ?
C8 U1 C5 84.42(19) . . ?
C9 U1 C5 57.73(18) . . ?
C7 U1 C5 78.91(18) . . ?
C2 U1 C5 76.39(18) . . ?
O2 U1 C3 81.96(16) . . ?
O1 U1 C3 116.88(16) . . ?
C4 U1 C3 30.24(18) . . ?
C8 U1 C3 58.27(17) . . ?
C9 U1 C3 87.83(18) . . ?
C7 U1 C3 80.87(18) . . ?
C2 U1 C3 30.22(17) . . ?
C5 U1 C3 57.42(18) . . ?
O2 U1 C6 160.21(16) . . ?
O1 U1 C6 134.32(17) . . ?
C4 U1 C6 57.92(18) . . ?
C8 U1 C6 76.55(19) . . ?
C9 U1 C6 29.89(18) . . ?
C7 U1 C6 57.81(19) . . ?
C2 U1 C6 84.50(18) . . ?
C5 U1 C6 30.32(17) . . ?
C3 U1 C6 78.43(18) . . ?
O2 U1 C29 74.55(16) . . ?
O1 U1 C29 77.92(16) . . ?
C4 U1 C29 124.83(18) . . ?
C8 U1 C29 155.20(18) . . ?
C9 U1 C29 130.41(18) . . ?
C7 U1 C29 142.88(18) . . ?
C2 U1 C29 150.85(17) . . ?
C5 U1 C29 120.12(18) . . ?
C3 U1 C29 136.10(17) . . ?
C6 U1 C29 122.31(18) . . ?
O2 U1 C28 96.99(16) . . ?
O1 U1 C28 74.76(16) . . ?
C4 U1 C28 137.34(18) . . ?
C8 U1 C28 138.61(17) . . ?
C9 U1 C28 101.41(18) . . ?
C7 U1 C28 114.21(18) . . ?
C2 U1 C28 165.64(17) . . ?
C5 U1 C28 115.88(18) . . ?
C3 U1 C28 163.07(18) . . ?
C6 U1 C28 102.55(18) . . ?
C29 U1 C28 30.20(17) . . ?
O3 U2 C32 79.56(17) . . ?
O3 U2 C37 132.13(18) . . ?
C32 U2 C37 79.29(19) . . ?
O3 U2 C31 83.14(17) . . ?
C32 U2 C31 30.68(18) . . ?
C37 U2 C31 58.09(19) . . ?
O3 U2 C34 121.31(18) . . ?
C32 U2 C34 57.99(19) . . ?
C37 U2 C34 80.65(18) . . ?
C31 U2 C34 79.17(19) . . ?
O3 U2 C30 102.56(18) . . ?
C32 U2 C30 59.43(18) . . ?
C37 U2 C30 30.79(19) . . ?
C31 U2 C30 31.03(18) . . ?
C34 U2 C30 89.52(18) . . ?
O3 U2 C33 93.45(18) . . ?
C32 U2 C33 30.85(19) . . ?
C37 U2 C33 89.72(18) . . ?
C31 U2 C33 59.31(19) . . ?
C34 U2 C33 30.96(19) . . ?
C30 U2 C33 82.29(19) . . ?
O3 U2 C36 160.17(18) . . ?
C32 U2 C36 85.40(19) . . ?
C37 U2 C36 30.55(19) . . ?
C31 U2 C36 77.36(19) . . ?
C34 U2 C36 58.49(19) . . ?
C30 U2 C36 58.27(19) . . ?
C33 U2 C36 79.7(2) . . ?
O3 U2 C35 151.45(19) . . ?
C32 U2 C35 77.06(19) . . ?
C37 U2 C35 58.35(19) . . ?
C31 U2 C35 85.06(19) . . ?
C34 U2 C35 30.45(19) . . ?
C30 U2 C35 79.28(19) . . ?
C33 U2 C35 58.3(2) . . ?
C36 U2 C35 30.27(19) . . ?
O3 U2 C52 86.49(18) . . ?
C32 U2 C52 137.56(19) . . ?
C37 U2 C52 135.48(19) . . ?
C31 U2 C52 166.00(19) . . ?
C34 U2 C52 98.42(19) . . ?
C30 U2 C52 162.68(19) . . ?
C33 U2 C52 112.21(19) . . ?
C36 U2 C52 113.34(19) . . ?
C35 U2 C52 99.90(19) . . ?
O3 U2 C51 72.23(17) . . ?
C32 U2 C51 148.93(18) . . ?
C37 U2 C51 129.83(18) . . ?
C31 U2 C51 149.81(18) . . ?
C34 U2 C51 128.54(18) . . ?
C30 U2 C51 139.19(18) . . ?
C33 U2 C51 137.51(18) . . ?
C36 U2 C51 124.89(19) . . ?
C35 U2 C51 124.70(19) . . ?
C52 U2 C51 30.12(18) . . ?
O3 U2 C49 93.59(17) . . ?
C32 U2 C49 168.68(18) . . ?
C37 U2 C49 99.21(18) . . ?
C31 U2 C49 140.11(18) . . ?
C34 U2 C49 133.09(19) . . ?
C30 U2 C49 114.15(18) . . ?
C33 U2 C49 160.14(19) . . ?
C36 U2 C49 99.03(19) . . ?
C35 U2 C49 111.87(19) . . ?
C52 U2 C49 49.83(18) . . ?
C51 U2 C49 30.64(17) . . ?

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
C8 C2 C3 C4 -3.9(12) . . . . ?
U1 C2 C3 C4 -50.2(6) . . . . ?
C8 C2 C3 Si3 -179.4(6) . . . . ?
U1 C2 C3 Si3 134.2(3) . . . . ?
C8 C2 C3 U1 46.3(7) . . . . ?
C2 C3 C4 C5 -2.6(12) . . . . ?
Si3 C3 C4 C5 172.8(6) . . . . ?
U1 C3 C4 C5 -53.3(7) . . . . ?
C2 C3 C4 U1 50.7(6) . . . . ?
Si3 C3 C4 U1 -133.9(4) . . . . ?
C3 C4 C5 C6 6.3(13) . . . . ?
U1 C4 C5 C6 -47.0(7) . . . . ?
C3 C4 C5 U1 53.3(7) . . . . ?
C4 C5 C6 C9 1.2(12) . . . . ?
U1 C5 C6 C9 -45.0(7) . . . . ?
C4 C5 C6 U1 46.3(7) . . . . ?
C3 C2 C8 C7 -0.4(13) . . . . ?
U1 C2 C8 C7 46.3(8) . . . . ?
C3 C2 C8 U1 -46.7(7) . . . . ?
C9 C7 C8 C2 6.2(12) . . . . ?
Si4 C7 C8 C2 -176.0(6) . . . . ?
U1 C7 C8 C2 -46.3(8) . . . . ?
C9 C7 C8 U1 52.6(6) . . . . ?
Si4 C7 C8 U1 -129.6(4) . . . . ?
C5 C6 C9 C7 -5.9(13) . . . . ?
U1 C6 C9 C7 -51.2(7) . . . . ?
C5 C6 C9 U1 45.3(7) . . . . ?
C8 C7 C9 C6 -0.8(12) . . . . ?
Si4 C7 C9 C6 -178.7(6) . . . . ?
U1 C7 C9 C6 51.8(7) . . . . ?
C8 C7 C9 U1 -52.6(6) . . . . ?
Si4 C7 C9 U1 129.6(4) . . . . ?
C23 C21 C24 C25 97.4(8) . . . . ?
C22 C21 C24 C25 -21.5(9) . . . . ?
C20 C21 C24 C25 -140.6(7) . . . . ?
C23 C21 C24 C29 -71.3(8) . . . . ?
C22 C21 C24 C29 169.8(6) . . . . ?
C20 C21 C24 C29 50.7(9) . . . . ?
C23 C21 C24 U1 -163.0(5) . . . . ?
C22 C21 C24 U1 78.1(7) . . . . ?
C20 C21 C24 U1 -41.0(8) . . . . ?
C29 C24 C25 C26 -1.1(7) . . . . ?
C21 C24 C25 C26 -171.4(6) . . . . ?
U1 C24 C25 C26 66.1(4) . . . . ?
C29 C24 C25 C19 166.8(6) . . . . ?
C21 C24 C25 C19 -3.6(11) . . . . ?
U1 C24 C25 C19 -126.1(6) . . . . ?
C29 C24 C25 U1 -67.2(4) . . . . ?
C21 C24 C25 U1 122.5(6) . . . . ?
C24 C25 C26 C28 1.4(7) . . . . ?
C19 C25 C26 C28 -167.6(5) . . . . ?
U1 C25 C26 C28 67.6(4) . . . . ?
C24 C25 C26 C18 172.3(6) . . . . ?
C19 C25 C26 C18 3.2(10) . . . . ?
U1 C25 C26 C18 -121.5(6) . . . . ?
C24 C25 C26 U1 -66.2(4) . . . . ?
C19 C25 C26 U1 124.8(5) . . . . ?
C25 C26 C28 C29 -1.2(7) . . . . ?
C18 C26 C28 C29 -172.0(6) . . . . ?
U1 C26 C28 C29 68.5(4) . . . . ?
C25 C26 C28 C17 172.9(6) . . . . ?
C18 C26 C28 C17 2.0(10) . . . . ?
U1 C26 C28 C17 -117.5(6) . . . . ?
C25 C26 C28 U1 -69.7(4) . . . . ?
C18 C26 C28 U1 119.5(6) . . . . ?
C26 C28 C29 C24 0.5(7) . . . . ?
C17 C28 C29 C24 -173.6(6) . . . . ?
U1 C28 C29 C24 70.6(4) . . . . ?
C26 C28 C29 C15 173.4(5) . . . . ?
C17 C28 C29 C15 -0.6(9) . . . . ?
U1 C28 C29 C15 -116.4(5) . . . . ?
C26 C28 C29 U1 -70.2(4) . . . . ?
C17 C28 C29 U1 115.8(6) . . . . ?
C25 C24 C29 C28 0.4(7) . . . . ?
C21 C24 C29 C28 171.1(6) . . . . ?
U1 C24 C29 C28 -69.5(4) . . . . ?
C25 C24 C29 C15 -171.8(6) . . . . ?
C21 C24 C29 C15 -1.1(10) . . . . ?
U1 C24 C29 C15 118.4(6) . . . . ?
C25 C24 C29 U1 69.9(4) . . . . ?
C21 C24 C29 U1 -119.4(6) . . . . ?
C37 C30 C31 C32 6.0(12) . . . . ?
Si1 C30 C31 C32 178.6(6) . . . . ?
U2 C30 C31 C32 -45.2(7) . . . . ?
C37 C30 C31 U2 51.2(6) . . . . ?
Si1 C30 C31 U2 -136.2(4) . . . . ?
C30 C31 C32 C33 -0.7(14) . . . . ?
U2 C31 C32 C33 -46.1(8) . . . . ?
C30 C31 C32 U2 45.4(7) . . . . ?
C31 C32 C33 C34 -5.2(13) . . . . ?
U2 C32 C33 C34 -51.1(6) . . . . ?
C31 C32 C33 Si2 174.1(6) . . . . ?
U2 C32 C33 Si2 128.3(4) . . . . ?
C31 C32 C33 U2 45.9(8) . . . . ?
C32 C33 C34 C35 -2.0(12) . . . . ?
Si2 C33 C34 C35 178.7(6) . . . . ?
U2 C33 C34 C35 -53.0(7) . . . . ?
C32 C33 C34 U2 51.0(6) . . . . ?
Si2 C33 C34 U2 -128.3(4) . . . . ?
C33 C34 C35 C36 8.8(13) . . . . ?
U2 C34 C35 C36 -43.7(8) . . . . ?
C33 C34 C35 U2 52.5(7) . . . . ?
C34 C35 C36 C37 -1.6(13) . . . . ?
U2 C35 C36 C37 -44.7(7) . . . . ?
C34 C35 C36 U2 43.1(8) . . . . ?
C35 C36 C37 C30 -6.8(13) . . . . ?
U2 C36 C37 C30 -52.2(7) . . . . ?
C35 C36 C37 U2 45.4(7) . . . . ?
C31 C30 C37 C36 1.5(12) . . . . ?
Si1 C30 C37 C36 -171.0(6) . . . . ?
U2 C30 C37 C36 52.7(7) . . . . ?
C31 C30 C37 U2 -51.2(6) . . . . ?
Si1 C30 C37 U2 136.3(4) . . . . ?
C55 C27 C49 C51 0.1(7) . . . . ?
C48 C27 C49 C51 -169.1(6) . . . . ?
U2 C27 C49 C51 67.7(4) . . . . ?
C55 C27 C49 C47 -178.6(6) . . . . ?
C48 C27 C49 C47 12.2(11) . . . . ?
U2 C27 C49 C47 -111.0(6) . . . . ?
C55 C27 C49 U2 -67.6(4) . . . . ?
C48 C27 C49 U2 123.2(7) . . . . ?
C44 C47 C49 C27 -2.1(9) . . . . ?
C46 C47 C49 C27 118.1(7) . . . . ?
C45 C47 C49 C27 -121.0(7) . . . . ?
C44 C47 C49 C51 179.3(6) . . . . ?
C46 C47 C49 C51 -60.4(7) . . . . ?
C45 C47 C49 C51 60.4(8) . . . . ?
C44 C47 C49 U2 -94.7(5) . . . . ?
C46 C47 C49 U2 25.6(6) . . . . ?
C45 C47 C49 U2 146.4(4) . . . . ?
C27 C49 C51 C52 -0.9(7) . . . . ?
C47 C49 C51 C52 178.0(5) . . . . ?
U2 C49 C51 C52 68.8(4) . . . . ?
C27 C49 C51 C50 170.3(6) . . . . ?
C47 C49 C51 C50 -10.9(10) . . . . ?
U2 C49 C51 C50 -120.1(6) . . . . ?
C27 C49 C51 U2 -69.6(4) . . . . ?
C47 C49 C51 U2 109.2(5) . . . . ?
C49 C51 C52 C55 1.2(7) . . . . ?
C50 C51 C52 C55 -170.8(5) . . . . ?
U2 C51 C52 C55 70.4(4) . . . . ?
C49 C51 C52 C53 178.1(6) . . . . ?
C50 C51 C52 C53 6.0(9) . . . . ?
U2 C51 C52 C53 -112.7(6) . . . . ?
C49 C51 C52 U2 -69.2(4) . . . . ?
C50 C51 C52 U2 118.7(5) . . . . ?
C51 C52 C55 C27 -1.2(7) . . . . ?
C53 C52 C55 C27 -178.0(6) . . . . ?
U2 C52 C55 C27 67.8(4) . . . . ?
C51 C52 C55 C54 170.7(6) . . . . ?
C53 C52 C55 C54 -6.1(11) . . . . ?
U2 C52 C55 C54 -120.4(6) . . . . ?
C51 C52 C55 U2 -68.9(4) . . . . ?
C53 C52 C55 U2 114.3(6) . . . . ?
C49 C27 C55 C52 0.6(7) . . . . ?
C48 C27 C55 C52 170.8(6) . . . . ?
U2 C27 C55 C52 -66.0(4) . . . . ?
C49 C27 C55 C54 -171.0(6) . . . . ?
C48 C27 C55 C54 -0.8(10) . . . . ?
U2 C27 C55 C54 122.4(6) . . . . ?
C49 C27 C55 U2 66.6(4) . . . . ?
C48 C27 C55 U2 -123.2(6) . . . . ?
O2 C1 O1 U1 0.7(5) . . . . ?
O3 C1 O1 U1 178.9(5) . . . . ?
O1 C1 O2 U1 -0.8(5) . . . . ?
O3 C1 O2 U1 -179.0(5) . . . . ?
C32 C33 Si2 C40 149.7(5) . . . . ?
C34 C33 Si2 C40 -30.9(6) . . . . ?
U2 C33 Si2 C40 -120.5(5) . . . . ?
C32 C33 Si2 C38 31.3(6) . . . . ?
C34 C33 Si2 C38 -149.2(5) . . . . ?
U2 C33 Si2 C38 121.2(4) . . . . ?
C32 C33 Si2 C39 -89.6(5) . . . . ?
C34 C33 Si2 C39 89.8(5) . . . . ?
U2 C33 Si2 C39 0.3(5) . . . . ?
C4 C3 Si3 C13 135.3(5) . . . . ?
C2 C3 Si3 C13 -48.5(6) . . . . ?
U1 C3 Si3 C13 42.2(5) . . . . ?
C4 C3 Si3 C14 12.6(6) . . . . ?
C2 C3 Si3 C14 -171.2(4) . . . . ?
U1 C3 Si3 C14 -80.5(5) . . . . ?
C4 C3 Si3 C16 -104.8(5) . . . . ?
C2 C3 Si3 C16 71.4(5) . . . . ?
U1 C3 Si3 C16 162.1(4) . . . . ?
C8 C7 Si4 C12 -1.4(6) . . . . ?
C9 C7 Si4 C12 176.7(5) . . . . ?
U1 C7 Si4 C12 -94.2(5) . . . . ?
C8 C7 Si4 C11 -121.1(5) . . . . ?
C9 C7 Si4 C11 57.1(6) . . . . ?
U1 C7 Si4 C11 146.2(5) . . . . ?
C8 C7 Si4 C10 119.6(5) . . . . ?
C9 C7 Si4 C10 -62.3(6) . . . . ?
U1 C7 Si4 C10 26.9(6) . . . . ?

_refine_diff_density_max         3.182
_refine_diff_density_min         -2.119
_refine_diff_density_rms         0.196

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 1000017'
