#------------------------------------------------------------------------------
#$Date: 2025-08-22 10:56:18 +0200 (Fri 22 de Aug de 2025) $
#$Revision: 301860 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/14/7121460.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7121460
loop_
_publ_author_name
'Cowie, Bradley E.'
'Nichol, Gary S.'
'Love, Jason B.'
'Arnold, Polly L.'
_publ_section_title
;
 Double uranium oxo cations derived from uranyl by borane or silane
 reduction.
;
_journal_issue                   31
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3839
_journal_page_last               3842
_journal_paper_doi               10.1039/c8cc00341f
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C94 H94 N8 O5 Si2 U2, C4 H8 O'
_chemical_formula_sum            'C98 H102 N8 O7 Si2 U2'
_chemical_formula_weight         2036.12
_chemical_name_systematic
;
 [{HPh2SiO(THF)UOU(THF)OSiPh2H}(LA)]
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-12-20 deposited with the CCDC.
2018-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 110.2830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.5124(2)
_cell_length_b                   19.8405(2)
_cell_length_c                   20.1410(2)
_cell_measurement_reflns_used    22958
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.693
_cell_measurement_theta_min      3.0660
_cell_volume                     8438.29(15)
_computing_cell_refinement       'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.1042
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -25.00  22.00   1.00   30.00    --  -18.53 -99.00 120.00   47
  2  ω    -25.00  22.00   1.00   30.00    --  -18.53 -99.00 -60.00   47
  3  ω    -25.00  22.00   1.00   30.00    --  -18.53 -99.00-180.00   47
  4  ω    -93.00 -34.00   1.00   30.00    --  -18.53-179.00 -30.00   59
  5  ω    -93.00 -34.00   1.00   30.00    --  -18.53-179.00-180.00   59
  6  ω    -25.00  22.00   1.00   30.00    --  -18.53 -99.00  30.00   47
  7  ω     -2.00  91.00   1.00   30.00    --   20.25  38.00 -90.00   93
  8  ω    -48.00  39.00   1.00   30.00    --   20.25 -57.00   0.00   87
  9  ω      2.00  89.00   1.00   30.00    --   20.25  57.00 -90.00   87
 10  ω    -48.00  39.00   1.00   30.00    --   20.25 -57.00 120.00   87
 11  ω    -67.00  12.00   1.00   30.00    --  -18.53 114.00-133.62   79
 12  ω      2.00  89.00   1.00   30.00    --   20.25  57.00 150.00   87
 13  ω    -48.00  39.00   1.00   30.00    --   20.25 -57.00 150.00   87
 14  ω     -2.00  42.00   1.00   30.00    --   20.25-126.00 160.91   44
 15  ω    -18.00  93.00   1.00   30.00    --   20.25  19.00 120.00  111
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            88911
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.82
_exptl_absorpt_coefficient_mu    3.925
_exptl_absorpt_correction_T_max  0.7442
_exptl_absorpt_correction_T_min  0.3404
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.42b (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4056
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.257
_refine_diff_density_min         -0.576
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         8628
_refine_ls_number_restraints     132
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0195P)²+30.4918P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0538
_refine_ls_wR_factor_ref         0.0574
_reflns_number_gt                7290
_reflns_number_total             8628
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c8cc00341f2.cif
_cod_data_source_block           5THF_THF
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7121458--7121462.cif.
;
_cod_original_cell_volume        8438.29(14)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7121460
_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_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.506351(6) 0.241329(6) 0.646554(6) 0.01630(4) Uani 1 1 d . . .
Si1 Si 0.49518(5) 0.26559(6) 0.46243(5) 0.0253(2) Uani 1 1 d . . .
O3 O 0.5000 0.23380(16) 0.7500 0.0202(7) Uani 1 2 d S . .
O1 O 0.49928(11) 0.23453(12) 0.53827(12) 0.0241(5) Uani 1 1 d . . .
O4 O 0.47988(13) 0.11669(13) 0.61334(15) 0.0344(6) Uani 1 1 d . . .
N1 N 0.38361(12) 0.24410(14) 0.58818(14) 0.0192(6) Uani 1 1 d . . .
N3 N 0.59492(13) 0.31647(14) 0.65192(15) 0.0212(6) Uani 1 1 d . . .
N4 N 0.61510(13) 0.17970(14) 0.67478(15) 0.0209(6) Uani 1 1 d . . .
N2 N 0.46636(13) 0.35670(14) 0.62065(14) 0.0183(6) Uani 1 1 d . . .
C11 C 0.60129(16) 0.38267(17) 0.63992(18) 0.0229(8) Uani 1 1 d . . .
C29 C 0.65384(16) 0.10111(17) 0.77393(19) 0.0215(7) Uani 1 1 d . . .
C55 C 0.34383(15) 0.18791(17) 0.55983(18) 0.0207(7) Uani 1 1 d . . .
C57 C 0.35504(15) 0.14924(17) 0.68017(18) 0.0200(7) Uani 1 1 d . . .
H57 H 0.3753 0.1905 0.6989 0.024 Uiso 1 1 calc R . .
C16 C 0.63715(16) 0.11365(17) 0.69890(19) 0.0230(8) Uani 1 1 d . . .
C1 C 0.36504(17) 0.30269(18) 0.55871(19) 0.0211(7) Uani 1 1 d . . .
C5 C 0.49193(16) 0.41810(16) 0.61847(18) 0.0203(7) Uani 1 1 d . . .
C4 C 0.44756(17) 0.46021(18) 0.5701(2) 0.0272(8) Uani 1 1 d . . .
H4 H 0.4542 0.5054 0.5589 0.033 Uiso 1 1 calc R . .
C2 C 0.40430(16) 0.35987(17) 0.57321(18) 0.0217(7) Uani 1 1 d . . .
C15 C 0.65284(17) 0.21457(19) 0.65137(19) 0.0241(8) Uani 1 1 d . . .
C14 C 0.64283(16) 0.28337(18) 0.63654(18) 0.0236(8) Uani 1 1 d . . .
C54 C 0.31714(16) 0.17785(19) 0.48819(19) 0.0259(8) Uani 1 1 d . . .
H54 H 0.3213 0.2116 0.4566 0.031 Uiso 1 1 calc R . .
C3 C 0.39241(18) 0.42338(18) 0.5420(2) 0.0289(9) Uani 1 1 d . . .
H3 H 0.3538 0.4385 0.5079 0.035 Uiso 1 1 calc R . .
C49 C 0.31689(17) 0.03775(18) 0.6986(2) 0.0263(8) Uani 1 1 d . . .
C7 C 0.57496(16) 0.42217(18) 0.74159(18) 0.0237(8) Uani 1 1 d . . .
H7A H 0.5527 0.4573 0.7589 0.028 Uiso 1 1 calc R . .
H7B H 0.5576 0.3779 0.7485 0.028 Uiso 1 1 calc R . .
C6 C 0.56081(17) 0.43318(17) 0.66107(19) 0.0227(8) Uani 1 1 d . . .
C12 C 0.65213(18) 0.3930(2) 0.6159(2) 0.0325(9) Uani 1 1 d . . .
H12 H 0.6657 0.4348 0.6031 0.039 Uiso 1 1 calc R . .
C56 C 0.33490(16) 0.13838(17) 0.60740(19) 0.0225(8) Uani 1 1 d . . .
C53 C 0.28349(17) 0.1181(2) 0.4606(2) 0.0313(9) Uani 1 1 d . . .
H53 H 0.2648 0.1127 0.4108 0.038 Uiso 1 1 calc R . .
C64 C 0.37142(18) 0.3147(2) 0.3896(2) 0.0298(9) Uani 1 1 d . . .
H64 H 0.3868 0.3549 0.4154 0.036 Uiso 1 1 calc R . .
C63 C 0.41245(17) 0.26068(19) 0.39709(18) 0.0264(8) Uani 1 1 d . . .
C13 C 0.67872(18) 0.3300(2) 0.6144(2) 0.0342(9) Uani 1 1 d . . .
H13 H 0.7143 0.3205 0.6010 0.041 Uiso 1 1 calc R . .
C51 C 0.30239(16) 0.07682(18) 0.5790(2) 0.0251(8) Uani 1 1 d . . .
C17 C 0.64642(18) 0.06528(19) 0.6557(2) 0.0296(9) Uani 1 1 d . . .
H17 H 0.6347 0.0737 0.6063 0.036 Uiso 1 1 calc R . .
C50 C 0.29504(17) 0.02808(18) 0.6253(2) 0.0292(9) Uani 1 1 d . . .
H50 H 0.2745 -0.0131 0.6065 0.035 Uiso 1 1 calc R . .
C52 C 0.27738(18) 0.06817(19) 0.5038(2) 0.0296(9) Uani 1 1 d . . .
H52 H 0.2565 0.0274 0.4842 0.036 Uiso 1 1 calc R . .
C9 C 0.57794(18) 0.50593(18) 0.6470(2) 0.0299(9) Uani 1 1 d . . .
H9A H 0.6245 0.5111 0.6670 0.036 Uiso 1 1 calc R . .
H9B H 0.5647 0.5128 0.5952 0.036 Uiso 1 1 calc R . .
C62 C 0.4871(2) 0.0615(2) 0.6618(3) 0.0529(13) Uani 1 1 d . . .
H62A H 0.4525 0.0614 0.6815 0.063 Uiso 1 1 calc R . .
H62B H 0.5281 0.0646 0.7014 0.063 Uiso 1 1 calc R . .
C59 C 0.4622(2) 0.0913(2) 0.5422(2) 0.0451(12) Uani 1 1 d . . .
H59B H 0.4980 0.0961 0.5247 0.054 Uiso 1 1 calc R . .
H59A H 0.4258 0.1171 0.5105 0.054 Uiso 1 1 calc R . .
C69 C 0.54794(18) 0.2167(2) 0.4252(2) 0.0336(9) Uani 1 1 d . . .
C8 C 0.64515(18) 0.4243(2) 0.7859(2) 0.0347(9) Uani 1 1 d . . .
H8A H 0.6506 0.4170 0.8358 0.052 Uiso 1 1 calc R . .
H8B H 0.6626 0.4684 0.7805 0.052 Uiso 1 1 calc R . .
H8C H 0.6675 0.3889 0.7700 0.052 Uiso 1 1 calc R . .
C10 C 0.5478(2) 0.56092(19) 0.6780(2) 0.0377(10) Uani 1 1 d . . .
H10B H 0.5610 0.6053 0.6669 0.057 Uiso 1 1 calc R . .
H10A H 0.5614 0.5555 0.7295 0.057 Uiso 1 1 calc R . .
H10C H 0.5015 0.5573 0.6576 0.057 Uiso 1 1 calc R . .
C18 C 0.6736(2) 0.0022(2) 0.6838(2) 0.0374(10) Uani 1 1 d . . .
H18 H 0.6787 -0.0315 0.6527 0.045 Uiso 1 1 calc R . .
C68 C 0.3882(2) 0.2033(2) 0.3571(2) 0.0356(10) Uani 1 1 d . . .
H68 H 0.4151 0.1656 0.3604 0.043 Uiso 1 1 calc R . .
C66 C 0.2856(2) 0.2537(2) 0.3079(2) 0.0459(12) Uani 1 1 d . . .
H66 H 0.2423 0.2509 0.2786 0.055 Uiso 1 1 calc R . .
C60 C 0.4450(2) 0.0194(2) 0.5430(3) 0.0460(12) Uani 1 1 d . . .
H60B H 0.4553 -0.0062 0.5061 0.055 Uiso 1 1 calc R . .
H60A H 0.3993 0.0143 0.5349 0.055 Uiso 1 1 calc R . .
C67 C 0.3254(2) 0.2000(2) 0.3126(2) 0.0438(11) Uani 1 1 d . . .
H67 H 0.3100 0.1606 0.2854 0.053 Uiso 1 1 calc R . .
C74 C 0.5940(2) 0.1734(2) 0.4664(2) 0.0383(10) Uani 1 1 d . . .
H74 H 0.5987 0.1675 0.5148 0.046 Uiso 1 1 calc R . .
C70 C 0.5433(2) 0.2244(3) 0.3550(2) 0.0564(14) Uani 1 1 d . . .
H70 H 0.5121 0.2539 0.3253 0.068 Uiso 1 1 calc R . .
C19 C 0.69221(19) -0.01061(19) 0.7538(2) 0.0348(10) Uani 1 1 d . . .
H19 H 0.7117 -0.0525 0.7716 0.042 Uiso 1 1 calc R . .
C73 C 0.6338(2) 0.1380(3) 0.4388(3) 0.0515(12) Uani 1 1 d . . .
H73 H 0.6647 0.1078 0.4680 0.062 Uiso 1 1 calc R . .
C61 C 0.4844(3) -0.0046(3) 0.6156(3) 0.0703(17) Uani 1 1 d . . .
H61B H 0.5272 -0.0186 0.6177 0.084 Uiso 1 1 calc R . .
H61A H 0.4637 -0.0425 0.6312 0.084 Uiso 1 1 calc R . .
C65 C 0.3088(2) 0.3116(2) 0.3455(2) 0.0416(11) Uani 1 1 d . . .
H65 H 0.2818 0.3493 0.3413 0.050 Uiso 1 1 calc R . .
C72 C 0.6279(2) 0.1470(3) 0.3694(3) 0.0614(15) Uani 1 1 d . . .
H72 H 0.6550 0.1234 0.3504 0.074 Uiso 1 1 calc R . .
C71 C 0.5828(3) 0.1901(3) 0.3274(3) 0.0680(17) Uani 1 1 d . . .
H71 H 0.5788 0.1964 0.2793 0.082 Uiso 1 1 calc R . .
O10A O 0.2867(9) 0.6816(12) 0.6198(10) 0.116(4) Uani 0.308(10) 1 d PDU A 2
C93A C 0.3526(11) 0.6311(16) 0.5707(12) 0.096(4) Uani 0.308(10) 1 d PDU A 2
H93B H 0.3618 0.6067 0.5325 0.115 Uiso 0.308(10) 1 calc PR A 2
H93A H 0.3854 0.6657 0.5916 0.115 Uiso 0.308(10) 1 calc PR A 2
C92A C 0.3436(13) 0.5844(11) 0.6254(14) 0.100(4) Uani 0.308(10) 1 d PDU A 2
H92B H 0.3824 0.5592 0.6524 0.120 Uiso 0.308(10) 1 calc PR A 2
H92A H 0.3072 0.5534 0.6061 0.120 Uiso 0.308(10) 1 calc PR A 2
C94A C 0.2859(14) 0.6599(17) 0.5466(12) 0.101(4) Uani 0.308(10) 1 d PDU A 2
H94A H 0.2532 0.6254 0.5247 0.121 Uiso 0.308(10) 1 calc PR A 2
H94B H 0.2807 0.6986 0.5139 0.121 Uiso 0.308(10) 1 calc PR A 2
C91A C 0.3295(11) 0.6463(13) 0.6678(10) 0.093(4) Uani 0.308(10) 1 d PDU A 2
H91B H 0.3132 0.6304 0.7049 0.111 Uiso 0.308(10) 1 calc PR A 2
H91A H 0.3683 0.6733 0.6904 0.111 Uiso 0.308(10) 1 calc PR A 2
O10B O 0.2593(4) 0.6406(6) 0.5972(5) 0.116(4) Uani 0.692(10) 1 d PDU A 1
C93B C 0.3317(6) 0.6154(7) 0.5551(5) 0.095(3) Uani 0.692(10) 1 d PDU A 1
H93D H 0.3018 0.5785 0.5326 0.114 Uiso 0.692(10) 1 calc PR A 1
H93C H 0.3614 0.6224 0.5292 0.114 Uiso 0.692(10) 1 calc PR A 1
C92B C 0.3657(5) 0.6033(7) 0.6329(6) 0.089(3) Uani 0.692(10) 1 d PDU A 1
H92D H 0.3953 0.6401 0.6562 0.107 Uiso 0.692(10) 1 calc PR A 1
H92C H 0.3874 0.5591 0.6431 0.107 Uiso 0.692(10) 1 calc PR A 1
C94B C 0.2974(6) 0.6804(7) 0.5615(7) 0.094(4) Uani 0.692(10) 1 d PDU A 1
H94D H 0.3254 0.7148 0.5924 0.113 Uiso 0.692(10) 1 calc PR A 1
H94C H 0.2714 0.7000 0.5154 0.113 Uiso 0.692(10) 1 calc PR A 1
C91B C 0.3019(5) 0.6051(7) 0.6498(6) 0.095(3) Uani 0.692(10) 1 d PDU A 1
H91D H 0.2863 0.5587 0.6515 0.114 Uiso 0.692(10) 1 calc PR A 1
H91C H 0.3091 0.6270 0.6960 0.114 Uiso 0.692(10) 1 calc PR A 1
H80 H 0.5147(16) 0.3314(17) 0.4712(18) 0.023(9) Uiso 1 1 d . . .
H1 H 0.3240(17) 0.3070(16) 0.5281(18) 0.016(9) Uiso 1 1 d . . .
H15 H 0.6911(17) 0.1953(17) 0.6467(18) 0.022(9) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
N N 0.0061 0.0033 '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'
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
O1 U1 O3 169.23(9) . .
O1 U1 N2 87.11(9) . .
O3 U1 N2 97.41(10) . .
O1 U1 N3 81.70(9) . .
O3 U1 N3 109.00(8) . .
N2 U1 N3 71.07(9) . .
O1 U1 O4 75.26(9) . .
O3 U1 O4 95.63(10) . .
N2 U1 O4 143.78(9) . .
N3 U1 O4 134.70(9) . .
O1 U1 N1 81.27(9) . .
O3 U1 N1 91.29(6) . .
N2 U1 N1 68.25(9) . .
N3 U1 N1 136.41(9) . .
O4 U1 N1 77.83(8) . .
O1 U1 N4 85.72(9) . .
O3 U1 N4 97.41(7) . .
N2 U1 N4 136.91(9) . .
N3 U1 N4 65.85(9) . .
O4 U1 N4 73.91(9) . .
N1 U1 N4 151.08(8) . .
O1 Si1 C63 111.12(15) . .
O1 Si1 C69 110.04(16) . .
C63 Si1 C69 107.75(17) . .
O1 Si1 H80 109.3(14) . .
C63 Si1 H80 109.6(14) . .
C69 Si1 H80 108.9(15) . .
U1 O3 U1 172.00(17) . 2_656
Si1 O1 U1 154.01(15) . .
C59 O4 C62 109.7(3) . .
C59 O4 U1 123.6(2) . .
C62 O4 U1 126.3(3) . .
C1 N1 C55 117.3(3) . .
C1 N1 U1 110.3(2) . .
C55 N1 U1 126.0(2) . .
C11 N3 C14 106.3(3) . .
C11 N3 U1 135.6(2) . .
C14 N3 U1 112.6(2) . .
C15 N4 C16 114.7(3) . .
C15 N4 U1 110.6(2) . .
C16 N4 U1 133.8(2) . .
C5 N2 C2 105.9(3) . .
C5 N2 U1 135.9(2) . .
C2 N2 U1 113.3(2) . .
N3 C11 C12 110.7(3) . .
N3 C11 C6 118.8(3) . .
C12 C11 C6 130.1(3) . .
C57 C29 C49 119.8(3) 2_656 2_656
C57 C29 C16 122.1(3) 2_656 .
C49 C29 C16 118.1(3) 2_656 .
C54 C55 N1 121.5(3) . .
C54 C55 C56 119.4(3) . .
N1 C55 C56 119.0(3) . .
C29 C57 C56 121.6(3) 2_656 .
C29 C57 H57 119.2 2_656 .
C56 C57 H57 119.2 . .
C17 C16 N4 122.9(3) . .
C17 C16 C29 120.4(3) . .
N4 C16 C29 116.6(3) . .
N1 C1 C2 123.0(3) . .
N1 C1 H1 118(2) . .
C2 C1 H1 118(2) . .
N2 C5 C4 110.5(3) . .
N2 C5 C6 121.4(3) . .
C4 C5 C6 128.0(3) . .
C3 C4 C5 107.0(3) . .
C3 C4 H4 126.5 . .
C5 C4 H4 126.5 . .
C3 C2 N2 109.9(3) . .
C3 C2 C1 128.9(3) . .
N2 C2 C1 121.0(3) . .
N4 C15 C14 121.2(3) . .
N4 C15 H15 122(2) . .
C14 C15 H15 116(2) . .
N3 C14 C15 119.7(3) . .
N3 C14 C13 109.8(3) . .
C15 C14 C13 130.2(3) . .
C55 C54 C53 121.0(3) . .
C55 C54 H54 119.5 . .
C53 C54 H54 119.5 . .
C4 C3 C2 106.8(3) . .
C4 C3 H3 126.6 . .
C2 C3 H3 126.6 . .
C50 C49 C19 122.7(3) . 2_656
C50 C49 C29 118.2(3) . 2_656
C19 C49 C29 119.0(3) 2_656 2_656
C8 C7 C6 113.8(3) . .
C8 C7 H7A 108.8 . .
C6 C7 H7A 108.8 . .
C8 C7 H7B 108.8 . .
C6 C7 H7B 108.8 . .
H7A C7 H7B 107.7 . .
C11 C6 C5 107.9(3) . .
C11 C6 C9 110.8(3) . .
C5 C6 C9 110.6(3) . .
C11 C6 C7 106.0(3) . .
C5 C6 C7 111.2(3) . .
C9 C6 C7 110.4(3) . .
C13 C12 C11 106.6(3) . .
C13 C12 H12 126.7 . .
C11 C12 H12 126.7 . .
C57 C56 C55 121.8(3) . .
C57 C56 C51 119.1(3) . .
C55 C56 C51 119.1(3) . .
C52 C53 C54 121.4(4) . .
C52 C53 H53 119.3 . .
C54 C53 H53 119.3 . .
C65 C64 C63 121.8(4) . .
C65 C64 H64 119.1 . .
C63 C64 H64 119.1 . .
C64 C63 C68 117.1(3) . .
C64 C63 Si1 119.9(3) . .
C68 C63 Si1 123.0(3) . .
C12 C13 C14 106.7(3) . .
C12 C13 H13 126.7 . .
C14 C13 H13 126.7 . .
C50 C51 C52 122.1(3) . .
C50 C51 C56 119.0(3) . .
C52 C51 C56 118.9(3) . .
C16 C17 C18 120.4(4) . .
C16 C17 H17 119.8 . .
C18 C17 H17 119.8 . .
C51 C50 C49 122.2(3) . .
C51 C50 H50 118.9 . .
C49 C50 H50 118.9 . .
C53 C52 C51 120.1(3) . .
C53 C52 H52 120.0 . .
C51 C52 H52 120.0 . .
C10 C9 C6 114.7(3) . .
C10 C9 H9A 108.6 . .
C6 C9 H9A 108.6 . .
C10 C9 H9B 108.6 . .
C6 C9 H9B 108.6 . .
H9A C9 H9B 107.6 . .
O4 C62 C61 104.9(4) . .
O4 C62 H62A 110.8 . .
C61 C62 H62A 110.8 . .
O4 C62 H62B 110.8 . .
C61 C62 H62B 110.8 . .
H62A C62 H62B 108.9 . .
O4 C59 C60 108.1(4) . .
O4 C59 H59B 110.1 . .
C60 C59 H59B 110.1 . .
O4 C59 H59A 110.1 . .
C60 C59 H59A 110.1 . .
H59B C59 H59A 108.4 . .
C74 C69 C70 117.1(4) . .
C74 C69 Si1 121.9(3) . .
C70 C69 Si1 121.0(3) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C9 C10 H10B 109.5 . .
C9 C10 H10A 109.5 . .
H10B C10 H10A 109.5 . .
C9 C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
C19 C18 C17 121.1(4) . .
C19 C18 H18 119.4 . .
C17 C18 H18 119.4 . .
C67 C68 C63 121.3(4) . .
C67 C68 H68 119.3 . .
C63 C68 H68 119.3 . .
C65 C66 C67 119.7(4) . .
C65 C66 H66 120.1 . .
C67 C66 H66 120.1 . .
C59 C60 C61 104.3(4) . .
C59 C60 H60B 110.9 . .
C61 C60 H60B 110.9 . .
C59 C60 H60A 110.9 . .
C61 C60 H60A 110.9 . .
H60B C60 H60A 108.9 . .
C66 C67 C68 120.1(4) . .
C66 C67 H67 119.9 . .
C68 C67 H67 119.9 . .
C69 C74 C73 121.8(4) . .
C69 C74 H74 119.1 . .
C73 C74 H74 119.1 . .
C71 C70 C69 121.6(4) . .
C71 C70 H70 119.2 . .
C69 C70 H70 119.2 . .
C18 C19 C49 120.9(4) . 2_656
C18 C19 H19 119.6 . .
C49 C19 H19 119.6 2_656 .
C72 C73 C74 119.4(4) . .
C72 C73 H73 120.3 . .
C74 C73 H73 120.3 . .
C60 C61 C62 101.5(4) . .
C60 C61 H61B 111.5 . .
C62 C61 H61B 111.5 . .
C60 C61 H61A 111.5 . .
C62 C61 H61A 111.5 . .
H61B C61 H61A 109.3 . .
C66 C65 C64 119.9(4) . .
C66 C65 H65 120.1 . .
C64 C65 H65 120.1 . .
C73 C72 C71 120.1(5) . .
C73 C72 H72 120.0 . .
C71 C72 H72 120.0 . .
C72 C71 C70 120.0(5) . .
C72 C71 H71 120.0 . .
C70 C71 H71 120.0 . .
C91A O10A C94A 108.7(14) . .
C92A C93A C94A 95.6(18) . .
C92A C93A H93B 112.6 . .
C94A C93A H93B 112.6 . .
C92A C93A H93A 112.6 . .
C94A C93A H93A 112.6 . .
H93B C93A H93A 110.1 . .
C93A C92A C91A 91.2(16) . .
C93A C92A H92B 113.4 . .
C91A C92A H92B 113.4 . .
C93A C92A H92A 113.4 . .
C91A C92A H92A 113.4 . .
H92B C92A H92A 110.7 . .
C93A C94A O10A 96.7(17) . .
C93A C94A H94A 112.4 . .
O10A C94A H94A 112.4 . .
C93A C94A H94B 112.4 . .
O10A C94A H94B 112.4 . .
H94A C94A H94B 110.0 . .
O10A C91A C92A 104.5(16) . .
O10A C91A H91B 110.9 . .
C92A C91A H91B 110.9 . .
O10A C91A H91A 110.9 . .
C92A C91A H91A 110.9 . .
H91B C91A H91A 108.9 . .
C91B O10B C94B 106.0(7) . .
C92B C93B C94B 97.8(10) . .
C92B C93B H93D 112.2 . .
C94B C93B H93D 112.2 . .
C92B C93B H93C 112.2 . .
C94B C93B H93C 112.2 . .
H93D C93B H93C 109.8 . .
C93B C92B C91B 92.8(9) . .
C93B C92B H92D 113.1 . .
C91B C92B H92D 113.1 . .
C93B C92B H92C 113.1 . .
C91B C92B H92C 113.1 . .
H92D C92B H92C 110.5 . .
O10B C94B C93B 89.3(10) . .
O10B C94B H94D 113.8 . .
C93B C94B H94D 113.8 . .
O10B C94B H94C 113.8 . .
C93B C94B H94C 113.8 . .
H94D C94B H94C 111.0 . .
O10B C91B C92B 107.1(7) . .
O10B C91B H91D 110.3 . .
C92B C91B H91D 110.3 . .
O10B C91B H91C 110.3 . .
C92B C91B H91C 110.3 . .
H91D C91B H91C 108.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O1 2.135(2) .
U1 O3 2.1425(3) .
U1 N2 2.449(3) .
U1 N3 2.462(3) .
U1 O4 2.577(3) .
U1 N1 2.602(3) .
U1 N4 2.617(3) .
Si1 O1 1.620(2) .
Si1 C63 1.874(4) .
Si1 C69 1.879(4) .
Si1 H80 1.37(3) .
O3 U1 2.1425(3) 2_656
O4 C59 1.438(5) .
O4 C62 1.438(5) .
N1 C1 1.306(4) .
N1 C55 1.420(4) .
N3 C11 1.352(4) .
N3 C14 1.386(4) .
N4 C15 1.304(4) .
N4 C16 1.426(4) .
N2 C5 1.355(4) .
N2 C2 1.394(4) .
C11 C12 1.404(5) .
C11 C6 1.512(5) .
C29 C57 1.391(5) 2_656
C29 C49 1.438(5) 2_656
C29 C16 1.447(5) .
C55 C54 1.372(5) .
C55 C56 1.434(5) .
C57 C29 1.391(5) 2_656
C57 C56 1.393(5) .
C57 H57 0.9500 .
C16 C17 1.360(5) .
C1 C2 1.405(5) .
C1 H1 0.92(3) .
C5 C4 1.403(5) .
C5 C6 1.519(5) .
C4 C3 1.382(5) .
C4 H4 0.9500 .
C2 C3 1.392(5) .
C15 C14 1.399(5) .
C15 H15 0.98(4) .
C14 C13 1.399(5) .
C54 C53 1.413(5) .
C54 H54 0.9500 .
C3 H3 0.9500 .
C49 C50 1.398(5) .
C49 C19 1.420(5) 2_656
C49 C29 1.438(5) 2_656
C7 C8 1.522(5) .
C7 C6 1.556(5) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C6 C9 1.545(5) .
C12 C13 1.390(5) .
C12 H12 0.9500 .
C56 C51 1.437(5) .
C53 C52 1.356(5) .
C53 H53 0.9500 .
C64 C65 1.383(6) .
C64 C63 1.388(5) .
C64 H64 0.9500 .
C63 C68 1.393(5) .
C13 H13 0.9500 .
C51 C50 1.393(5) .
C51 C52 1.430(5) .
C17 C18 1.422(5) .
C17 H17 0.9500 .
C50 H50 0.9500 .
C52 H52 0.9500 .
C9 C10 1.528(5) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C62 C61 1.597(7) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C59 C60 1.481(6) .
C59 H59B 0.9900 .
C59 H59A 0.9900 .
C69 C74 1.380(5) .
C69 C70 1.389(6) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C10 H10B 0.9800 .
C10 H10A 0.9800 .
C10 H10C 0.9800 .
C18 C19 1.349(6) .
C18 H18 0.9500 .
C68 C67 1.387(6) .
C68 H68 0.9500 .
C66 C65 1.374(6) .
C66 C67 1.375(6) .
C66 H66 0.9500 .
C60 C61 1.501(7) .
C60 H60B 0.9900 .
C60 H60A 0.9900 .
C67 H67 0.9500 .
C74 C73 1.396(6) .
C74 H74 0.9500 .
C70 C71 1.382(6) .
C70 H70 0.9500 .
C19 C49 1.420(5) 2_656
C19 H19 0.9500 .
C73 C72 1.369(7) .
C73 H73 0.9500 .
C61 H61B 0.9900 .
C61 H61A 0.9900 .
C65 H65 0.9500 .
C72 C71 1.371(7) .
C72 H72 0.9500 .
C71 H71 0.9500 .
O10A C91A 1.308(15) .
O10A C94A 1.531(19) .
C93A C92A 1.506(19) .
C93A C94A 1.52(2) .
C93A H93B 0.9900 .
C93A H93A 0.9900 .
C92A C91A 1.589(19) .
C92A H92B 0.9900 .
C92A H92A 0.9900 .
C94A H94A 0.9900 .
C94A H94B 0.9900 .
C91A H91B 0.9900 .
C91A H91A 0.9900 .
O10B C91B 1.355(9) .
O10B C94B 1.517(14) .
C93B C92B 1.506(13) .
C93B C94B 1.531(14) .
C93B H93D 0.9900 .
C93B H93C 0.9900 .
C92B C91B 1.585(12) .
C92B H92D 0.9900 .
C92B H92C 0.9900 .
C94B H94D 0.9900 .
C94B H94C 0.9900 .
C91B H91D 0.9900 .
C91B H91C 0.9900 .
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_4
C63 Si1 O1 U1 -104.3(3) . .
C69 Si1 O1 U1 136.5(3) . .
O3 U1 O1 Si1 136.5(4) . .
N2 U1 O1 Si1 21.3(3) . .
N3 U1 O1 Si1 -50.0(3) . .
O4 U1 O1 Si1 169.3(4) . .
N1 U1 O1 Si1 89.7(3) . .
N4 U1 O1 Si1 -116.2(3) . .
O1 U1 O4 C59 -9.0(3) . .
O3 U1 O4 C59 165.2(3) . .
N2 U1 O4 C59 54.5(3) . .
N3 U1 O4 C59 -70.9(3) . .
N1 U1 O4 C59 75.1(3) . .
N4 U1 O4 C59 -98.7(3) . .
O1 U1 O4 C62 163.5(3) . .
O3 U1 O4 C62 -22.3(3) . .
N2 U1 O4 C62 -133.0(3) . .
N3 U1 O4 C62 101.6(3) . .
N1 U1 O4 C62 -112.4(3) . .
N4 U1 O4 C62 73.8(3) . .
O1 U1 N1 C1 -74.1(2) . .
O3 U1 N1 C1 113.7(2) . .
N2 U1 N1 C1 16.3(2) . .
N3 U1 N1 C1 -6.0(3) . .
O4 U1 N1 C1 -150.8(2) . .
N4 U1 N1 C1 -138.4(2) . .
O1 U1 N1 C55 76.7(3) . .
O3 U1 N1 C55 -95.5(3) . .
N2 U1 N1 C55 167.0(3) . .
N3 U1 N1 C55 144.8(2) . .
O4 U1 N1 C55 0.0(3) . .
N4 U1 N1 C55 12.4(4) . .
O1 U1 N3 C11 86.4(3) . .
O3 U1 N3 C11 -94.8(3) . .
N2 U1 N3 C11 -3.4(3) . .
O4 U1 N3 C11 146.0(3) . .
N1 U1 N3 C11 18.5(4) . .
N4 U1 N3 C11 175.4(4) . .
O1 U1 N3 C14 -63.0(2) . .
O3 U1 N3 C14 115.7(2) . .
N2 U1 N3 C14 -152.8(2) . .
O4 U1 N3 C14 -3.4(3) . .
N1 U1 N3 C14 -131.0(2) . .
N4 U1 N3 C14 26.0(2) . .
O1 U1 N4 C15 58.9(2) . .
O3 U1 N4 C15 -131.5(2) . .
N2 U1 N4 C15 -22.3(3) . .
N3 U1 N4 C15 -23.9(2) . .
O4 U1 N4 C15 134.8(2) . .
N1 U1 N4 C15 122.1(2) . .
O1 U1 N4 C16 -109.1(3) . .
O3 U1 N4 C16 60.5(3) . .
N2 U1 N4 C16 169.7(3) . .
N3 U1 N4 C16 168.1(3) . .
O4 U1 N4 C16 -33.2(3) . .
N1 U1 N4 C16 -45.9(4) . .
O1 U1 N2 C5 -85.2(3) . .
O3 U1 N2 C5 104.6(3) . .
N3 U1 N2 C5 -3.0(3) . .
O4 U1 N2 C5 -145.2(3) . .
N1 U1 N2 C5 -167.0(3) . .
N4 U1 N2 C5 -4.6(4) . .
O1 U1 N2 C2 65.6(2) . .
O3 U1 N2 C2 -104.6(2) . .
N3 U1 N2 C2 147.8(2) . .
O4 U1 N2 C2 5.6(3) . .
N1 U1 N2 C2 -16.2(2) . .
N4 U1 N2 C2 146.2(2) . .
C14 N3 C11 C12 0.9(4) . .
U1 N3 C11 C12 -149.8(3) . .
C14 N3 C11 C6 -172.2(3) . .
U1 N3 C11 C6 37.1(5) . .
C1 N1 C55 C54 44.3(5) . .
U1 N1 C55 C54 -104.7(3) . .
C1 N1 C55 C56 -139.8(3) . .
U1 N1 C55 C56 71.2(4) . .
C15 N4 C16 C17 -62.9(5) . .
U1 N4 C16 C17 104.7(4) . .
C15 N4 C16 C29 112.9(4) . .
U1 N4 C16 C29 -79.4(4) . .
C57 C29 C16 C17 -179.9(3) 2_656 .
C49 C29 C16 C17 3.0(5) 2_656 .
C57 C29 C16 N4 4.2(5) 2_656 .
C49 C29 C16 N4 -172.9(3) 2_656 .
C55 N1 C1 C2 -168.9(3) . .
U1 N1 C1 C2 -15.3(4) . .
C2 N2 C5 C4 -0.5(4) . .
U1 N2 C5 C4 151.7(3) . .
C2 N2 C5 C6 -177.1(3) . .
U1 N2 C5 C6 -24.9(5) . .
N2 C5 C4 C3 0.6(4) . .
C6 C5 C4 C3 176.9(3) . .
C5 N2 C2 C3 0.3(4) . .
U1 N2 C2 C3 -159.1(2) . .
C5 N2 C2 C1 175.7(3) . .
U1 N2 C2 C1 16.4(4) . .
N1 C1 C2 C3 174.7(4) . .
N1 C1 C2 N2 0.2(5) . .
C16 N4 C15 C14 -169.7(3) . .
U1 N4 C15 C14 19.8(4) . .
C11 N3 C14 C15 173.0(3) . .
U1 N3 C14 C15 -28.7(4) . .
C11 N3 C14 C13 -0.4(4) . .
U1 N3 C14 C13 157.9(2) . .
N4 C15 C14 N3 4.9(5) . .
N4 C15 C14 C13 176.8(4) . .
N1 C55 C54 C53 172.9(3) . .
C56 C55 C54 C53 -2.9(5) . .
C5 C4 C3 C2 -0.4(4) . .
N2 C2 C3 C4 0.1(4) . .
C1 C2 C3 C4 -174.9(4) . .
N3 C11 C6 C5 -62.2(4) . .
C12 C11 C6 C5 126.3(4) . .
N3 C11 C6 C9 176.7(3) . .
C12 C11 C6 C9 5.1(5) . .
N3 C11 C6 C7 57.0(4) . .
C12 C11 C6 C7 -114.6(4) . .
N2 C5 C6 C11 57.0(4) . .
C4 C5 C6 C11 -119.0(4) . .
N2 C5 C6 C9 178.3(3) . .
C4 C5 C6 C9 2.3(5) . .
N2 C5 C6 C7 -58.8(4) . .
C4 C5 C6 C7 125.2(4) . .
C8 C7 C6 C11 52.8(4) . .
C8 C7 C6 C5 169.8(3) . .
C8 C7 C6 C9 -67.2(4) . .
N3 C11 C12 C13 -1.1(4) . .
C6 C11 C12 C13 171.0(4) . .
C29 C57 C56 C55 179.9(3) 2_656 .
C29 C57 C56 C51 2.0(5) 2_656 .
C54 C55 C56 C57 -173.0(3) . .
N1 C55 C56 C57 11.1(5) . .
C54 C55 C56 C51 4.9(5) . .
N1 C55 C56 C51 -171.0(3) . .
C55 C54 C53 C52 -1.2(6) . .
C65 C64 C63 C68 1.3(6) . .
C65 C64 C63 Si1 -175.6(3) . .
O1 Si1 C63 C64 92.5(3) . .
C69 Si1 C63 C64 -146.9(3) . .
O1 Si1 C63 C68 -84.2(3) . .
C69 Si1 C63 C68 36.4(4) . .
C11 C12 C13 C14 0.8(4) . .
N3 C14 C13 C12 -0.3(4) . .
C15 C14 C13 C12 -172.8(4) . .
C57 C56 C51 C50 -3.6(5) . .
C55 C56 C51 C50 178.5(3) . .
C57 C56 C51 C52 175.1(3) . .
C55 C56 C51 C52 -2.8(5) . .
N4 C16 C17 C18 174.6(3) . .
C29 C16 C17 C18 -1.1(6) . .
C52 C51 C50 C49 -177.0(4) . .
C56 C51 C50 C49 1.6(6) . .
C19 C49 C50 C51 177.8(4) 2_656 .
C29 C49 C50 C51 1.8(5) 2_656 .
C54 C53 C52 C51 3.3(6) . .
C50 C51 C52 C53 177.4(4) . .
C56 C51 C52 C53 -1.2(5) . .
C11 C6 C9 C10 -170.1(3) . .
C5 C6 C9 C10 70.3(4) . .
C7 C6 C9 C10 -53.1(4) . .
C59 O4 C62 C61 10.0(4) . .
U1 O4 C62 C61 -163.3(3) . .
C62 O4 C59 C60 11.5(4) . .
U1 O4 C59 C60 -174.9(2) . .
O1 Si1 C69 C74 -15.0(4) . .
C63 Si1 C69 C74 -136.3(4) . .
O1 Si1 C69 C70 166.8(4) . .
C63 Si1 C69 C70 45.5(4) . .
C16 C17 C18 C19 -1.6(6) . .
C64 C63 C68 C67 -1.0(6) . .
Si1 C63 C68 C67 175.8(3) . .
O4 C59 C60 C61 -29.4(5) . .
C65 C66 C67 C68 2.2(7) . .
C63 C68 C67 C66 -0.7(7) . .
C70 C69 C74 C73 -0.7(7) . .
Si1 C69 C74 C73 -179.0(4) . .
C74 C69 C70 C71 0.1(8) . .
Si1 C69 C70 C71 178.3(5) . .
C17 C18 C19 C49 2.3(6) . 2_656
C69 C74 C73 C72 1.0(8) . .
C59 C60 C61 C62 33.4(5) . .
O4 C62 C61 C60 -27.0(5) . .
C67 C66 C65 C64 -1.9(7) . .
C63 C64 C65 C66 0.1(6) . .
C74 C73 C72 C71 -0.6(8) . .
C73 C72 C71 C70 -0.1(9) . .
C69 C70 C71 C72 0.3(9) . .
C94A C93A C92A C91A -61(3) . .
C92A C93A C94A O10A 54(3) . .
C91A O10A C94A C93A -22(3) . .
C94A O10A C91A C92A -17(3) . .
C93A C92A C91A O10A 50(2) . .
C94B C93B C92B C91B 55.3(15) . .
C91B O10B C94B C93B 50.5(13) . .
C92B C93B C94B O10B -65.7(14) . .
C94B O10B C91B C92B -18.0(14) . .
C93B C92B C91B O10B -23.3(15) . .
loop_
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1 PubChem 139188561
