#------------------------------------------------------------------------------
#$Date: 2016-03-22 13:49:12 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178979 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/02/4120278.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_4120278
loop_
_publ_author_name
'Clément Camp'
'Jacques Pécaut'
'Marinella Mazzanti'
_publ_section_title
;
 Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide
 Ligands
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12101
_journal_page_last               12111
_journal_paper_doi               10.1021/ja405815b
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C48 H108 O16 Si4 U'
_chemical_formula_weight         1291.73
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.462(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.1332(9)
_cell_length_b                   13.5042(6)
_cell_length_c                   20.4034(9)
_cell_measurement_reflns_used    4982
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.4594
_cell_measurement_theta_min      3.3915
_cell_volume                     6607.2(5)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9653
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details
;
  1 omega   -4.00   96.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       25.5614   77.0000  -60.0000 100

  2 omega  -87.00   26.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -27.2801    0.0000  -30.0000 113

  3 omega  -71.00  -23.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -27.2801   19.0000   60.0000 48

  4 omega   -6.00   22.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       25.4051   19.0000  -90.0000 28

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω 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  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0670
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20116
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.40
_exptl_absorpt_coefficient_mu    2.584
_exptl_absorpt_correction_T_max  0.5795
_exptl_absorpt_correction_T_min  0.2890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_description       block
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.53
_exptl_crystal_size_min          0.24
_refine_diff_density_max         2.798
_refine_diff_density_min         -1.553
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         8461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0436P)²+7.5926P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1070
_reflns_number_gt                7113
_reflns_number_total             8461
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja405815b_si_002_01.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'C 2/m '
_cod_database_code               4120278
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
U1 U 0.360876(9) 0.5000 0.749718(11) 0.02676(8) Uani 1 2 d S
Si1 Si 0.26731(11) 0.4464(2) 0.63762(13) 0.0336(5) Uani 0.50 1 d P
O1 O 0.2891(3) 0.5405(4) 0.6792(3) 0.0382(15) Uani 0.50 1 d P
O2 O 0.3094(2) 0.3648(4) 0.6798(3) 0.0307(13) Uani 0.50 1 d P
O3 O 0.2745(3) 0.4515(5) 0.5603(3) 0.0446(16) Uani 0.50 1 d P
O4 O 0.2047(3) 0.4100(5) 0.6444(3) 0.0432(16) Uani 0.50 1 d P
C3 C 0.3145(6) 0.2245(8) 0.6072(5) 0.059(3) Uani 0.50 1 d P
H3A H 0.2817 0.2494 0.5793 0.089 Uiso 0.50 1 d P
H3B H 0.3484 0.2506 0.5915 0.089 Uiso 0.50 1 d P
H3C H 0.3149 0.1519 0.6055 0.089 Uiso 0.50 1 d P
C4 C 0.2514(16) 0.206(3) 0.7021(19) 0.116(13) Uani 0.50 1 d P
H4A H 0.2447 0.2297 0.7435 0.173 Uiso 0.50 1 d P
H4B H 0.2200 0.2218 0.6676 0.173 Uiso 0.50 1 d P
H4C H 0.2558 0.1324 0.7021 0.173 Uiso 0.50 1 d P
C5 C 0.3126(3) 0.5000 0.5232(4) 0.053(2) Uani 1 2 d S
C6 C 0.2868(7) 0.6057(14) 0.5077(9) 0.105(7) Uani 0.50 1 d P
H6A H 0.2510 0.5985 0.4798 0.158 Uiso 0.50 1 d P
H6B H 0.2807 0.6386 0.5488 0.158 Uiso 0.50 1 d P
H6C H 0.3124 0.6449 0.4842 0.158 Uiso 0.50 1 d P
C7 C 0.3166(8) 0.4426(15) 0.4611(7) 0.111(7) Uani 0.50 1 d P
H7A H 0.3226 0.3725 0.4720 0.167 Uiso 0.50 1 d P
H7B H 0.2818 0.4503 0.4318 0.167 Uiso 0.50 1 d P
H7C H 0.3478 0.4678 0.4393 0.167 Uiso 0.50 1 d P
C8 C 0.3696(4) 0.5000 0.5614(4) 0.080(3) Uani 1 2 d S
H8A H 0.3704 0.5476 0.5978 0.119 Uiso 0.50 1 d P
H8B H 0.3780 0.4336 0.5792 0.119 Uiso 0.50 1 d P
H8C H 0.3973 0.5187 0.5322 0.119 Uiso 0.50 1 d P
C9 C 0.1510(8) 0.4429(15) 0.6139(7) 0.044(4) Uani 0.50 1 d P
C10 C 0.1117(7) 0.421(2) 0.6622(10) 0.193(15) Uani 0.50 1 d P
H10A H 0.1070 0.3506 0.6656 0.290 Uiso 0.50 1 d P
H10B H 0.1266 0.4488 0.7056 0.290 Uiso 0.50 1 d P
H10C H 0.0759 0.4534 0.6480 0.290 Uiso 0.50 1 d P
C11 C 0.1384(8) 0.4004(19) 0.5506(10) 0.137(9) Uani 0.50 1 d P
H11A H 0.1724 0.3770 0.5341 0.206 Uiso 0.50 1 d P
H11B H 0.1131 0.3433 0.5544 0.206 Uiso 0.50 1 d P
H11C H 0.1196 0.4488 0.5202 0.206 Uiso 0.50 1 d P
C12 C 0.1522(13) 0.550(3) 0.608(2) 0.175(18) Uani 0.50 1 d P
H12A H 0.1218 0.5807 0.6294 0.262 Uiso 0.50 1 d P
H12B H 0.1877 0.5781 0.6258 0.262 Uiso 0.50 1 d P
H12C H 0.1456 0.5689 0.5597 0.262 Uiso 0.50 1 d P
C21 C 0.5097(4) 0.2957(7) 0.5886(4) 0.039(2) Uani 0.50 1 d P
C22 C 0.5728(4) 0.3041(9) 0.6055(5) 0.050(3) Uani 0.50 1 d P
H22A H 0.5843 0.3729 0.5999 0.075 Uiso 0.50 1 d P
H22B H 0.5829 0.2837 0.6514 0.075 Uiso 0.50 1 d P
H22C H 0.5915 0.2612 0.5762 0.075 Uiso 0.50 1 d P
Si2 Si 0.49362(10) 0.39177(18) 0.70580(11) 0.0288(5) Uani 0.50 1 d P
O21 O 0.4379(2) 0.4498(4) 0.7239(3) 0.0306(12) Uani 0.50 1 d P
O22 O 0.4807(3) 0.3623(5) 0.6285(3) 0.0342(14) Uani 0.50 1 d P
O23 O 0.5042(3) 0.2880(5) 0.7449(3) 0.0350(14) Uani 0.50 1 d P
O24 O 0.5503(6) 0.4590(11) 0.7228(8) 0.034(3) Uani 0.50 1 d P
C23 C 0.4901(5) 0.1915(9) 0.5977(6) 0.056(3) Uani 0.50 1 d P
H23A H 0.5015 0.1705 0.6431 0.084 Uiso 0.50 1 d P
H23B H 0.4494 0.1891 0.5888 0.084 Uiso 0.50 1 d P
H23C H 0.5067 0.1475 0.5671 0.084 Uiso 0.50 1 d P
C24 C 0.4926(6) 0.3285(10) 0.5175(5) 0.064(4) Uani 0.50 1 d P
H24A H 0.4518 0.3294 0.5088 0.096 Uiso 0.50 1 d P
H24B H 0.5072 0.3950 0.5109 0.096 Uiso 0.50 1 d P
H24C H 0.5077 0.2821 0.4871 0.096 Uiso 0.50 1 d P
C25 C 0.5273(4) 0.2639(8) 0.8111(5) 0.043(2) Uani 0.50 1 d P
C26 C 0.5045(5) 0.3338(10) 0.8595(5) 0.059(3) Uani 0.50 1 d P
H26A H 0.5135 0.4022 0.8483 0.088 Uiso 0.50 1 d P
H26B H 0.4640 0.3261 0.8571 0.088 Uiso 0.50 1 d P
H26C H 0.5216 0.3186 0.9041 0.088 Uiso 0.50 1 d P
C27 C 0.5089(5) 0.1550(9) 0.8218(6) 0.057(3) Uani 0.50 1 d P
H27A H 0.4689 0.1527 0.8241 0.086 Uiso 0.50 1 d P
H27B H 0.5185 0.1142 0.7848 0.086 Uiso 0.50 1 d P
H27C H 0.5289 0.1299 0.8630 0.086 Uiso 0.50 1 d P
C28 C 0.5908(5) 0.2702(10) 0.8151(6) 0.061(3) Uani 0.50 1 d P
H28A H 0.6038 0.2300 0.7798 0.092 Uiso 0.50 1 d P
H28B H 0.6020 0.3391 0.8102 0.092 Uiso 0.50 1 d P
H28C H 0.6072 0.2449 0.8580 0.092 Uiso 0.50 1 d P
C29 C 0.5613(10) 0.5612(17) 0.7106(12) 0.033(3) Uani 0.50 1 d P
C30 C 0.5378(5) 0.5887(9) 0.6415(6) 0.057(3) Uani 0.50 1 d P
H30A H 0.5498 0.5409 0.6100 0.085 Uiso 0.50 1 d P
H30B H 0.4970 0.5891 0.6387 0.085 Uiso 0.50 1 d P
H30C H 0.5510 0.6551 0.6312 0.085 Uiso 0.50 1 d P
C31 C 0.6251(4) 0.5670(9) 0.7176(6) 0.053(3) Uani 0.50 1 d P
H31A H 0.6401 0.5501 0.7631 0.079 Uiso 0.50 1 d P
H31B H 0.6397 0.5197 0.6872 0.079 Uiso 0.50 1 d P
H31C H 0.6365 0.6339 0.7073 0.079 Uiso 0.50 1 d P
C32 C 0.5392(4) 0.6247(8) 0.7614(6) 0.049(3) Uani 0.50 1 d P
H32A H 0.4983 0.6209 0.7558 0.074 Uiso 0.50 1 d P
H32B H 0.5532 0.6015 0.8057 0.074 Uiso 0.50 1 d P
H32C H 0.5508 0.6932 0.7558 0.074 Uiso 0.50 1 d P
C41 C 0.2002(4) 0.3819(8) 0.8765(5) 0.048(3) Uani 0.50 1 d P
C42 C 0.1847(5) 0.3922(9) 0.9455(6) 0.061(3) Uani 0.50 1 d P
H42A H 0.1869 0.3276 0.9674 0.091 Uiso 0.50 1 d P
H42B H 0.2103 0.4385 0.9704 0.091 Uiso 0.50 1 d P
H42C H 0.1465 0.4177 0.9437 0.091 Uiso 0.50 1 d P
Si3 Si 0.31735(11) 0.37644(19) 0.89830(12) 0.0330(5) Uani 0.50 1 d P
O41 O 0.3399(3) 0.4376(5) 0.8388(3) 0.0383(15) Uani 0.50 1 d P
O42 O 0.2545(3) 0.3352(5) 0.8795(3) 0.0409(15) Uani 0.50 1 d P
O43 O 0.3162(3) 0.4451(6) 0.9638(3) 0.0427(16) Uani 0.50 1 d P
O44 O 0.3578(3) 0.2814(5) 0.9108(3) 0.0395(15) Uani 0.50 1 d P
C43 C 0.1617(5) 0.3128(11) 0.8349(7) 0.077(4) Uani 0.50 1 d P
H43A H 0.1745 0.3049 0.7914 0.115 Uiso 0.50 1 d P
H43B H 0.1610 0.2480 0.8566 0.115 Uiso 0.50 1 d P
H43C H 0.1238 0.3405 0.8297 0.115 Uiso 0.50 1 d P
C44 C 0.2022(5) 0.487(13) 0.8450(6) 0.07(2) Uani 0.50 1 d P
H44A H 0.1640 0.5088 0.8370 0.108 Uiso 0.50 1 d P
H44B H 0.2252 0.5267 0.8741 0.108 Uiso 0.50 1 d P
H44C H 0.2176 0.4760 0.8028 0.108 Uiso 0.50 1 d P
C45 C 0.3564(3) 0.5000 0.9975(4) 0.053(2) Uani 1 2 d S
C46 C 0.4154(4) 0.5000 0.9876(5) 0.083(3) Uani 1 2 d S
H46A H 0.4332 0.4400 1.0071 0.124 Uiso 0.50 1 d P
H46B H 0.4190 0.5000 0.9403 0.124 Uiso 1 2 d S
H46C H 0.4336 0.5584 1.0089 0.124 Uiso 0.50 1 d P
C47 C 0.3427(6) 0.6123(10) 0.9682(6) 0.063(3) Uani 0.50 1 d P
H47A H 0.3474 0.6139 0.9212 0.094 Uiso 0.50 1 d P
H47B H 0.3042 0.6301 0.9744 0.094 Uiso 0.50 1 d P
H47C H 0.3683 0.6598 0.9920 0.094 Uiso 0.50 1 d P
C48 C 0.3470(5) 0.5000 1.0693(4) 0.078(3) Uani 1 2 d S
H48A H 0.3573 0.4353 1.0886 0.117 Uiso 0.50 1 d P
H48B H 0.3700 0.5516 1.0926 0.117 Uiso 0.50 1 d P
H48C H 0.3076 0.5132 1.0731 0.117 Uiso 0.50 1 d P
C1 C 0.3117(4) 0.2574(6) 0.6774(5) 0.036(2) Uani 0.50 1 d P
C2 C 0.3633(5) 0.2269(8) 0.7227(7) 0.047(3) Uani 0.50 1 d P
H2A H 0.3960 0.2629 0.7101 0.070 Uiso 0.50 1 d P
H2B H 0.3583 0.2431 0.7684 0.070 Uiso 0.50 1 d P
H2C H 0.3696 0.1556 0.7187 0.070 Uiso 0.50 1 d P
C49 C 0.3506(5) 0.1914(7) 0.9478(5) 0.043(2) Uani 0.50 1 d P
C50 C 0.3214(5) 0.1159(8) 0.9011(5) 0.054(3) Uani 0.50 1 d P
H50A H 0.2848 0.1417 0.8832 0.081 Uiso 0.50 1 d P
H50B H 0.3438 0.1029 0.8650 0.081 Uiso 0.50 1 d P
H50C H 0.3164 0.0542 0.9252 0.081 Uiso 0.50 1 d P
C51 C 0.3187(5) 0.2109(9) 1.0055(5) 0.057(3) Uani 0.50 1 d P
H51A H 0.3399 0.2553 1.0367 0.086 Uiso 0.50 1 d P
H51B H 0.2827 0.2418 0.9899 0.086 Uiso 0.50 1 d P
H51C H 0.3118 0.1482 1.0275 0.086 Uiso 0.50 1 d P
C52 C 0.4101(5) 0.1585(9) 0.9721(6) 0.057(3) Uani 0.50 1 d P
H52A H 0.4306 0.1455 0.9341 0.086 Uiso 0.50 1 d P
H52B H 0.4290 0.2105 0.9995 0.086 Uiso 0.50 1 d P
H52C H 0.4087 0.0976 0.9982 0.086 Uiso 0.50 1 d P
Si4 Si 0.38134(11) 0.76492(18) 0.76507(15) 0.0322(5) Uani 0.50 1 d P
O61 O 0.3792(3) 0.6484(5) 0.7784(3) 0.0425(16) Uani 0.50 1 d P
O62 O 0.3293(3) 0.8259(6) 0.7848(4) 0.060(2) Uani 0.50 1 d P
O63 O 0.3904(4) 0.7767(5) 0.6888(4) 0.056(2) Uani 0.50 1 d P
O64 O 0.4362(3) 0.8152(5) 0.8058(4) 0.0542(19) Uani 0.50 1 d P
C61 C 0.2691(4) 0.8116(8) 0.7754(6) 0.046(2) Uani 0.50 1 d P
C62 C 0.2480(5) 0.9093(12) 0.7990(9) 0.096(6) Uani 0.50 1 d P
H62A H 0.2591 0.9629 0.7710 0.144 Uiso 0.50 1 d P
H62B H 0.2070 0.9072 0.7964 0.144 Uiso 0.50 1 d P
H62C H 0.2635 0.9208 0.8447 0.144 Uiso 0.50 1 d P
C63 C 0.2574(8) 0.7824(19) 0.7069(17) 0.063(8) Uani 0.50 1 d P
H63A H 0.2645 0.8367 0.6798 0.094 Uiso 0.50 1 d P
H63B H 0.2819 0.7258 0.7006 0.094 Uiso 0.50 1 d P
H63C H 0.2185 0.7609 0.7004 0.094 Uiso 0.50 1 d P
C64 C 0.2544(6) 0.7312(14) 0.8186(10) 0.112(7) Uani 0.50 1 d P
H64A H 0.2703 0.6691 0.8051 0.167 Uiso 0.50 1 d P
H64B H 0.2693 0.7464 0.8645 0.167 Uiso 0.50 1 d P
H64C H 0.2137 0.7254 0.8159 0.167 Uiso 0.50 1 d P
C65 C 0.4050(5) 0.8571(8) 0.6489(5) 0.050(3) Uani 0.50 1 d P
C66 C 0.3797(8) 0.9508(11) 0.6692(10) 0.113(7) Uani 0.50 1 d P
H66A H 0.3421 0.9579 0.6449 0.170 Uiso 0.50 1 d P
H66B H 0.3768 0.9494 0.7163 0.170 Uiso 0.50 1 d P
H66C H 0.4028 1.0000 0.6583 0.170 Uiso 1 2 d S
C67 C 0.3774(9) 0.8316(17) 0.5791(8) 0.118(7) Uani 0.50 1 d P
H67A H 0.3987 0.7788 0.5606 0.178 Uiso 0.50 1 d P
H67B H 0.3391 0.8087 0.5821 0.178 Uiso 0.50 1 d P
H67C H 0.3767 0.8904 0.5513 0.178 Uiso 0.50 1 d P
C68 C 0.4666(8) 0.8572(14) 0.6493(10) 0.113(7) Uani 0.50 1 d P
H68A H 0.4840 0.8638 0.6948 0.170 Uiso 0.50 1 d P
H68B H 0.4784 0.7951 0.6305 0.170 Uiso 0.50 1 d P
H68C H 0.4776 0.9130 0.6230 0.170 Uiso 0.50 1 d P
C69 C 0.4543(4) 0.8284(8) 0.8738(5) 0.045(2) Uani 0.50 1 d P
C70 C 0.5025(11) 0.894(2) 0.8762(10) 0.179(13) Uani 0.50 1 d P
H70A H 0.5205 0.8860 0.8356 0.269 Uiso 0.50 1 d P
H70B H 0.4906 0.9626 0.8800 0.269 Uiso 0.50 1 d P
H70C H 0.5293 0.8767 0.9142 0.269 Uiso 0.50 1 d P
C71 C 0.4760(8) 0.7303(13) 0.9015(7) 0.100(6) Uani 0.50 1 d P
H71A H 0.4516 0.6768 0.8828 0.149 Uiso 0.50 1 d P
H71B H 0.5139 0.7196 0.8901 0.149 Uiso 0.50 1 d P
H71C H 0.4764 0.7307 0.9496 0.149 Uiso 0.50 1 d P
C72 C 0.4110(9) 0.8629(17) 0.9155(10) 0.127(8) Uani 0.50 1 d P
H72A H 0.3948 0.9251 0.8966 0.191 Uiso 0.50 1 d P
H72B H 0.3822 0.8130 0.9156 0.191 Uiso 0.50 1 d P
H72C H 0.4286 0.8753 0.9602 0.191 Uiso 0.50 1 d P
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'
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
O21 U1 O21 37.6(3) 6_565 .
O21 U1 O41 130.4(2) 6_565 .
O21 U1 O41 113.0(2) . .
O21 U1 O41 113.0(2) 6_565 6_565
O21 U1 O41 130.4(2) . 6_565
O41 U1 O41 47.0(3) . 6_565
O21 U1 O61 66.5(2) 6_565 .
O21 U1 O61 102.2(2) . .
O41 U1 O61 101.7(3) . .
O41 U1 O61 56.6(3) 6_565 .
O21 U1 O61 102.2(2) 6_565 6_565
O21 U1 O61 66.5(2) . 6_565
O41 U1 O61 56.6(3) . 6_565
O41 U1 O61 101.7(3) 6_565 6_565
O61 U1 O61 141.9(4) . 6_565
O21 U1 O1 124.9(2) 6_565 6_565
O21 U1 O1 114.3(2) . 6_565
O41 U1 O1 102.6(2) . 6_565
O41 U1 O1 114.6(2) 6_565 6_565
O61 U1 O1 122.8(2) . 6_565
O61 U1 O1 94.0(2) 6_565 6_565
O21 U1 O1 114.3(2) 6_565 .
O21 U1 O1 124.9(2) . .
O41 U1 O1 114.6(2) . .
O41 U1 O1 102.6(2) 6_565 .
O61 U1 O1 94.0(2) . .
O61 U1 O1 122.8(2) 6_565 .
O1 U1 O1 28.9(3) 6_565 .
O21 U1 O2 118.7(2) 6_565 .
O21 U1 O2 91.0(2) . .
O41 U1 O2 92.7(2) . .
O41 U1 O2 128.1(2) 6_565 .
O61 U1 O2 154.6(2) . .
O61 U1 O2 63.3(2) 6_565 .
O1 U1 O2 32.45(19) 6_565 .
O1 U1 O2 60.8(2) . .
O21 U1 O2 91.0(2) 6_565 6_565
O21 U1 O2 118.7(2) . 6_565
O41 U1 O2 128.1(2) . 6_565
O41 U1 O2 92.7(2) 6_565 6_565
O61 U1 O2 63.3(2) . 6_565
O61 U1 O2 154.6(2) 6_565 6_565
O1 U1 O2 60.8(2) 6_565 6_565
O1 U1 O2 32.45(19) . 6_565
O2 U1 O2 91.4(3) . 6_565
O21 U1 Si1 109.27(16) 6_565 6_565
O21 U1 Si1 118.70(16) . 6_565
O41 U1 Si1 120.02(18) . 6_565
O41 U1 Si1 108.35(18) 6_565 6_565
O61 U1 Si1 95.39(19) . 6_565
O61 U1 Si1 122.27(19) 6_565 6_565
O1 U1 Si1 28.57(16) 6_565 6_565
O1 U1 Si1 6.20(18) . 6_565
O2 U1 Si1 59.26(14) . 6_565
O2 U1 Si1 32.41(14) 6_565 6_565
O21 U1 Si1 118.70(16) 6_565 .
O21 U1 Si1 109.27(16) . .
O41 U1 Si1 108.35(18) . .
O41 U1 Si1 120.02(18) 6_565 .
O61 U1 Si1 122.27(19) . .
O61 U1 Si1 95.39(19) 6_565 .
O1 U1 Si1 6.20(18) 6_565 .
O1 U1 Si1 28.57(16) . .
O2 U1 Si1 32.41(14) . .
O2 U1 Si1 59.26(14) 6_565 .
Si1 U1 Si1 26.91(10) 6_565 .
O1 Si1 Si1 79.3(4) 6_565 6_565
O1 Si1 O1 42.7(5) 6_565 .
Si1 Si1 O1 36.7(2) 6_565 .
O1 Si1 O3 138.4(5) 6_565 .
Si1 Si1 O3 87.5(3) 6_565 .
O1 Si1 O3 115.1(4) . .
O1 Si1 O4 114.0(5) 6_565 .
Si1 Si1 O4 107.7(3) 6_565 .
O1 Si1 O4 117.2(4) . .
O3 Si1 O4 107.6(4) . .
O1 Si1 O2 55.1(4) 6_565 .
Si1 Si1 O2 131.2(2) 6_565 .
O1 Si1 O2 96.1(3) . .
O3 Si1 O2 114.1(3) . .
O4 Si1 O2 106.1(3) . .
O1 Si1 O3 116.9(5) 6_565 6_565
Si1 Si1 O3 49.33(19) 6_565 6_565
O1 Si1 O3 80.0(3) . 6_565
O3 Si1 O3 38.2(4) . 6_565
O4 Si1 O3 114.7(3) . 6_565
O2 Si1 O3 135.9(3) . 6_565
O1 Si1 U1 14.2(4) 6_565 .
Si1 Si1 U1 76.54(5) 6_565 .
O1 Si1 U1 41.5(2) . .
O3 Si1 U1 124.2(3) . .
O4 Si1 U1 128.2(3) . .
O2 Si1 U1 55.0(2) . .
O3 Si1 U1 106.4(2) 6_565 .
Si1 O1 O1 100.7(4) 6_565 6_565
Si1 O1 O2 89.7(5) 6_565 6_565
O1 O1 O2 159.1(4) 6_565 6_565
Si1 O1 Si1 64.0(4) 6_565 .
O1 O1 Si1 36.7(2) 6_565 .
O2 O1 Si1 148.4(6) 6_565 .
Si1 O1 U1 159.6(6) 6_565 .
O1 O1 U1 75.57(15) 6_565 .
O2 O1 U1 88.3(4) 6_565 .
Si1 O1 U1 110.0(3) . .
O1 O2 C1 161.3(6) 6_565 .
O1 O2 Si1 35.2(3) 6_565 .
C1 O2 Si1 131.5(5) . .
O1 O2 U1 59.2(3) 6_565 .
C1 O2 U1 135.7(5) . .
Si1 O2 U1 92.6(3) . .
O3 O3 C6 124.0(10) 6_565 6_565
O3 O3 C5 62.4(3) 6_565 .
C6 O3 C5 68.5(10) 6_565 .
O3 O3 Si1 92.5(3) 6_565 .
C6 O3 Si1 142.7(11) 6_565 .
C5 O3 Si1 133.8(6) . .
O3 O3 Si1 49.33(19) 6_565 6_565
C6 O3 Si1 170.3(10) 6_565 6_565
C5 O3 Si1 102.0(4) . 6_565
Si1 O3 Si1 43.1(2) . 6_565
C9 O4 C12 6(2) . 6_565
C9 O4 Si1 132.4(9) . .
C12 O4 Si1 126.9(15) 6_565 .
C1 C3 C67 122.9(10) . 6_565
C1 C3 H3A 109.3 . .
C67 C3 H3A 126.8 6_565 .
C1 C3 H3B 109.5 . .
C67 C3 H3B 45.4 6_565 .
H3A C3 H3B 109.7 . .
C1 C3 H3C 109.3 . .
C67 C3 H3C 64.2 6_565 .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.6 . .
C63 C4 C61 66(10) 6_565 6_565
C63 C4 C1 49(10) 6_565 .
C61 C4 C1 101(2) 6_565 .
C63 C4 H4A 62.5 6_565 .
C61 C4 H4A 39.2 6_565 .
C1 C4 H4A 111.0 . .
C63 C4 H4B 122.4 6_565 .
C61 C4 H4B 146.1 6_565 .
C1 C4 H4B 107.5 . .
H4A C4 H4B 111.5 . .
C63 C4 H4C 129.3 6_565 .
C61 C4 H4C 80.2 6_565 .
C1 C4 H4C 107.8 . .
H4A C4 H4C 111.9 . .
H4B C4 H4C 106.8 . .
O3 C5 O3 55.2(7) . 6_565
O3 C5 C7 143.1(10) . 6_565
O3 C5 C7 108.6(7) 6_565 6_565
O3 C5 C7 108.6(7) . .
O3 C5 C7 143.1(10) 6_565 .
C7 C5 C7 62.4(15) 6_565 .
O3 C5 C8 109.6(6) . .
O3 C5 C8 109.6(6) 6_565 .
C7 C5 C8 107.2(9) 6_565 .
C7 C5 C8 107.2(9) . .
O3 C5 C6 54.7(8) . 6_565
O3 C5 C6 105.1(8) 6_565 6_565
C7 C5 C6 111.1(12) 6_565 6_565
C7 C5 C6 54.7(9) . 6_565
C8 C5 C6 115.0(6) . 6_565
O3 C5 C6 105.1(8) . .
O3 C5 C6 54.7(8) 6_565 .
C7 C5 C6 54.7(9) 6_565 .
C7 C5 C6 111.1(12) . .
C8 C5 C6 115.0(7) . .
C6 C5 C6 130.0(13) 6_565 .
O3 C6 C7 115.8(16) 6_565 6_565
O3 C6 C5 56.8(7) 6_565 .
C7 C6 C5 59.9(11) 6_565 .
O3 C6 H6A 98.2 6_565 .
C7 C6 H6A 92.6 6_565 .
C5 C6 H6A 109.1 . .
O3 C6 H6B 61.3 6_565 .
C7 C6 H6B 157.8 6_565 .
C5 C6 H6B 109.6 . .
H6A C6 H6B 109.6 . .
O3 C6 H6C 152.4 6_565 .
C7 C6 H6C 61.5 6_565 .
C5 C6 H6C 109.4 . .
H6A C6 H6C 109.3 . .
H6B C6 H6C 109.9 . .
C6 C7 C5 65.4(9) 6_565 .
C6 C7 C7 117.4(10) 6_565 6_565
C5 C7 C7 58.8(7) . 6_565
C6 C7 H7A 58.4 6_565 .
C5 C7 H7A 109.3 . .
C7 C7 H7A 165.2 6_565 .
C6 C7 H7B 89.7 6_565 .
C5 C7 H7B 109.2 . .
C7 C7 H7B 83.9 6_565 .
H7A C7 H7B 109.6 . .
C6 C7 H7C 160.5 6_565 .
C5 C7 H7C 109.3 . .
C7 C7 H7C 69.6 6_565 .
H7A C7 H7C 109.7 . .
H7B C7 H7C 109.6 . .
C5 C8 H8A 109.4 . .
C5 C8 H8B 109.4 . .
H8A C8 H8B 109.4 . .
C5 C8 H8C 109.6 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.6 . .
C12 C9 C11 67(10) 6_565 .
C12 C9 O4 106(10) 6_565 .
C11 C9 O4 111.1(13) . .
C12 C9 C12 48(10) 6_565 .
C11 C9 C12 110(3) . .
O4 C9 C12 108(2) . .
C12 C9 C10 145(10) 6_565 .
C11 C9 C10 116(2) . .
O4 C9 C10 105.3(12) . .
C12 C9 C10 106(2) . .
C12 C9 C9 53(10) 6_565 6_565
C11 C9 C9 114.0(13) . 6_565
O4 C9 C9 108.0(9) . 6_565
C12 C9 C9 5(2) . 6_565
C10 C9 C9 101.4(15) . 6_565
C9 C10 C12 3.2(19) . 6_565
C9 C10 H10A 109.5 . .
C12 C10 H10A 111.9 6_565 .
C9 C10 H10B 109.1 . .
C12 C10 H10B 109.6 6_565 .
H10A C10 H10B 109.9 . .
C9 C10 H10C 109.0 . .
C12 C10 H10C 106.0 6_565 .
H10A C10 H10C 110.6 . .
H10B C10 H10C 108.7 . .
C12 C11 C9 6(2) 6_565 .
C12 C11 H11A 108.9 6_565 .
C9 C11 H11A 110.1 . .
C12 C11 H11B 114.1 6_565 .
C9 C11 H11B 108.5 . .
H11A C11 H11B 108.9 . .
C12 C11 H11C 105.8 6_565 .
C9 C11 H11C 110.2 . .
H11A C11 H11C 110.2 . .
H11B C11 H11C 108.9 . .
C9 C12 C12 127(10) 6_565 6_565
C9 C12 C11 107(10) 6_565 6_565
C12 C12 C11 119(2) 6_565 6_565
C9 C12 C9 123(10) 6_565 .
C12 C12 C9 5(2) 6_565 .
C11 C12 C9 123(4) 6_565 .
C9 C12 O4 69(10) 6_565 6_565
C12 C12 O4 111.1(13) 6_565 6_565
C11 C12 O4 111(3) 6_565 6_565
C9 C12 O4 110(3) . 6_565
C9 C12 C10 32(10) 6_565 6_565
C12 C12 C10 103.9(19) 6_565 6_565
C11 C12 C10 112(2) 6_565 6_565
C9 C12 C10 100(3) . 6_565
O4 C12 C10 97(3) 6_565 6_565
C9 C12 H12A 36.8 6_565 .
C12 C12 H12A 114.8 6_565 .
C11 C12 H12A 92.9 6_565 .
C9 C12 H12A 111.1 . .
O4 C12 H12A 105.4 6_565 .
C10 C12 H12A 18.7 6_565 .
C9 C12 H12B 74.0 6_565 .
C12 C12 H12B 113.0 6_565 .
C11 C12 H12B 104.5 6_565 .
C9 C12 H12B 112.6 . .
O4 C12 H12B 7.8 6_565 .
C10 C12 H12B 103.6 6_565 .
H12A C12 H12B 110.3 . .
C9 C12 H12C 123.8 6_565 .
C12 C12 H12C 104.3 6_565 .
C11 C12 H12C 16.4 6_565 .
C9 C12 H12C 108.7 . .
O4 C12 H12C 115.1 6_565 .
C10 C12 H12C 124.7 6_565 .
H12A C12 H12C 106.2 . .
H12B C12 H12C 107.5 . .
O22 C21 C23 109.5(8) . .
O22 C21 C22 111.1(8) . .
C23 C21 C22 111.2(9) . .
O22 C21 C24 104.9(8) . .
C23 C21 C24 109.5(9) . .
C22 C21 C24 110.3(9) . .
O22 C21 C30 50.1(5) . 6_565
C23 C21 C30 140.0(8) . 6_565
C22 C21 C30 63.0(6) . 6_565
C24 C21 C30 109.2(8) . 6_565
C21 C22 C30 70.3(7) . 6_565
C21 C22 H22A 109.5 . .
C30 C22 H22A 57.1 6_565 .
C21 C22 H22B 109.2 . .
C30 C22 H22B 85.2 6_565 .
H22A C22 H22B 109.4 . .
C21 C22 H22C 109.6 . .
C30 C22 H22C 163.7 6_565 .
H22A C22 H22C 109.6 . .
H22B C22 H22C 109.5 . .
C32 Si2 O23 55.9(5) 6_565 .
C32 Si2 O22 137.8(5) 6_565 .
O23 Si2 O22 105.6(3) . .
C32 Si2 O21 116.7(5) 6_565 .
O23 Si2 O21 113.0(3) . .
O22 Si2 O21 105.3(3) . .
C32 Si2 O24 53.4(7) 6_565 .
O23 Si2 O24 107.0(6) . .
O22 Si2 O24 113.8(6) . .
O21 Si2 O24 111.9(4) . .
C32 Si2 C29 54.0(10) 6_565 6_565
O23 Si2 C29 101.1(8) . 6_565
O22 Si2 C29 102.7(8) . 6_565
O21 Si2 C29 127.0(6) . 6_565
O24 Si2 C29 15.6(6) . 6_565
C32 Si2 C30 97.4(6) 6_565 6_565
O23 Si2 C30 114.4(5) . 6_565
O22 Si2 C30 52.6(4) . 6_565
O21 Si2 C30 131.6(4) . 6_565
O24 Si2 C30 61.7(6) . 6_565
C29 Si2 C30 50.2(8) 6_565 6_565
O21 O21 Si2 118.7(2) 6_565 .
O21 O21 U1 71.18(15) 6_565 .
Si2 O21 U1 170.2(4) . .
C21 O22 C30 83.3(7) . 6_565
C21 O22 Si2 130.3(6) . .
C30 O22 Si2 69.7(5) 6_565 .
C25 O23 C32 79.3(7) . 6_565
C25 O23 Si2 133.0(6) . .
C32 O23 Si2 58.1(5) 6_565 .
C29 O24 O24 125(6) 6_565 6_565
C29 O24 C32 89(5) 6_565 6_565
O24 O24 C32 142.7(6) 6_565 6_565
C29 O24 C29 110(7) 6_565 .
O24 O24 C29 15.5(13) 6_565 .
C32 O24 C29 155.9(18) 6_565 .
C29 O24 Si2 94(5) 6_565 .
O24 O24 Si2 123.5(5) 6_565 .
C32 O24 Si2 58.3(8) 6_565 .
C29 O24 Si2 131.3(19) . .
C29 O24 C30 49(5) 6_565 6_565
O24 O24 C30 111.3(7) 6_565 6_565
C32 O24 C30 102.0(11) 6_565 6_565
C29 O24 C30 101.7(19) . 6_565
Si2 O24 C30 63.5(7) . 6_565
C29 O24 C31 41(5) 6_565 6_565
O24 O24 C31 100.9(6) 6_565 6_565
C32 O24 C31 97.3(9) 6_565 6_565
C29 O24 C31 88.4(18) . 6_565
Si2 O24 C31 132.5(8) . 6_565
C30 O24 C31 86.7(7) 6_565 6_565
C68 C23 C21 133.4(11) 6_565 .
C68 C23 H23A 41.7 6_565 .
C21 C23 H23A 109.3 . .
C68 C23 H23B 69.2 6_565 .
C21 C23 H23B 109.3 . .
H23A C23 H23B 109.7 . .
C68 C23 H23C 114.8 6_565 .
C21 C23 H23C 109.4 . .
H23A C23 H23C 109.6 . .
H23B C23 H23C 109.5 . .
C24 C24 C21 136(2) 2_656 .
C24 C24 H24A 111.3 2_656 .
C21 C24 H24A 109.4 . .
C24 C24 H24B 71.8 2_656 .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C24 C24 H24C 39.9 2_656 .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.3 . .
H24B C24 H24C 109.5 . .
O23 C25 C26 109.9(8) . .
O23 C25 C28 108.5(8) . .
C26 C25 C28 111.5(10) . .
O23 C25 C27 105.0(8) . .
C26 C25 C27 111.6(9) . .
C28 C25 C27 110.1(9) . .
O23 C25 C32 51.0(5) . 6_565
C26 C25 C32 86.6(8) . 6_565
C28 C25 C32 76.6(7) . 6_565
C27 C25 C32 155.0(9) . 6_565
C71 C26 C25 104.1(11) 6_565 .
C71 C26 H26A 146.5 6_565 .
C25 C26 H26A 109.3 . .
C71 C26 H26B 55.0 6_565 .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.4 . .
C71 C26 H26C 60.1 6_565 .
C25 C26 H26C 109.3 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.7 . .
C70 C27 C25 131.1(16) 6_565 .
C70 C27 O64 93.5(12) 6_565 6_565
C25 C27 O64 92.9(7) . 6_565
C70 C27 C69 53.3(9) 6_565 6_565
C25 C27 C69 101.8(8) . 6_565
O64 C27 C69 46.6(5) 6_565 6_565
C70 C27 H27A 74.5 6_565 .
C25 C27 H27A 109.7 . .
O64 C27 H27A 19.9 6_565 .
C69 C27 H27A 34.7 6_565 .
C70 C27 H27B 115.0 6_565 .
C25 C27 H27B 109.0 . .
O64 C27 H27B 107.2 6_565 .
C69 C27 H27B 140.9 6_565 .
H27A C27 H27B 109.9 . .
C70 C27 H27C 36.6 6_565 .
C25 C27 H27C 109.0 . .
O64 C27 H27C 127.6 6_565 .
C69 C27 H27C 81.9 6_565 .
H27A C27 H27C 110.1 . .
H27B C27 H27C 109.2 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.7 . .
C25 C28 H28C 109.2 . .
H28A C28 H28C 109.4 . .
H28B C28 H28C 109.5 . .
O24 C29 O24 39(4) 6_565 .
O24 C29 C32 72(5) 6_565 .
O24 C29 C32 110.3(14) . .
O24 C29 C30 118(6) 6_565 .
O24 C29 C30 110(2) . .
C32 C29 C30 112.5(19) . .
O24 C29 C31 127(6) 6_565 .
O24 C29 C31 104(2) . .
C32 C29 C31 109.9(17) . .
C30 C29 C31 110.1(12) . .
O24 C29 C29 55(6) 6_565 6_565
O24 C29 C29 15.5(13) . 6_565
C32 C29 C29 125.1(7) . 6_565
C30 C29 C29 104.3(10) . 6_565
C31 C29 C29 92.9(10) . 6_565
O24 C29 Si2 70(5) 6_565 6_565
O24 C29 Si2 99.8(14) . 6_565
C32 C29 Si2 54.8(10) . 6_565
C30 C29 Si2 66.8(12) . 6_565
C31 C29 Si2 155.7(16) . 6_565
C29 C29 Si2 111.4(6) 6_565 6_565
C29 C30 O22 120.5(13) . 6_565
C29 C30 O24 13.6(9) . 6_565
O22 C30 O24 112.1(9) 6_565 6_565
C29 C30 Si2 62.9(11) . 6_565
O22 C30 Si2 57.7(5) 6_565 6_565
O24 C30 Si2 54.8(6) 6_565 6_565
C29 C30 C22 114.9(10) . 6_565
O22 C30 C22 92.0(7) 6_565 6_565
O24 C30 C22 127.8(9) 6_565 6_565
Si2 C30 C22 120.3(8) 6_565 6_565
C29 C30 C21 141.0(13) . 6_565
O22 C30 C21 46.6(5) 6_565 6_565
O24 C30 C21 144.1(10) 6_565 6_565
Si2 C30 C21 95.0(7) 6_565 6_565
C22 C30 C21 46.7(5) 6_565 6_565
C29 C30 H30A 110.2 . .
O22 C30 H30A 120.1 6_565 .
O24 C30 H30A 110.1 6_565 .
Si2 C30 H30A 145.1 6_565 .
C22 C30 H30A 94.1 6_565 .
C21 C30 H30A 105.8 6_565 .
C29 C30 H30B 109.1 . .
O22 C30 H30B 26.5 6_565 .
O24 C30 H30B 97.0 6_565 .
Si2 C30 H30B 50.9 6_565 .
C22 C30 H30B 117.9 6_565 .
C21 C30 H30B 71.5 6_565 .
H30A C30 H30B 109.7 . .
C29 C30 H30C 109.2 . .
O22 C30 H30C 82.8 6_565 .
O24 C30 H30C 120.5 6_565 .
Si2 C30 H30C 104.8 6_565 .
C22 C30 H30C 15.5 6_565 .
C21 C30 H30C 42.3 6_565 .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.2 . .
C29 C31 C31 87.1(10) . 6_565
C29 C31 O24 11.7(11) . 6_565
C31 C31 O24 79.1(6) 6_565 6_565
C29 C31 H31A 109.7 . .
C31 C31 H31A 76.6 6_565 .
O24 C31 H31A 99.3 6_565 .
C29 C31 H31B 109.6 . .
C31 C31 H31B 49.5 6_565 .
O24 C31 H31B 109.5 6_565 .
H31A C31 H31B 108.9 . .
C29 C31 H31C 109.4 . .
C31 C31 H31C 158.0 6_565 .
O24 C31 H31C 119.2 6_565 .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.7 . .
O24 C32 O23 130.7(11) 6_565 6_565
O24 C32 C29 18.4(7) 6_565 .
O23 C32 C29 123.0(13) 6_565 .
O24 C32 Si2 68.4(8) 6_565 6_565
O23 C32 Si2 66.0(5) 6_565 6_565
C29 C32 Si2 71.3(11) . 6_565
O24 C32 C25 177.8(9) 6_565 6_565
O23 C32 C25 49.7(5) 6_565 6_565
C29 C32 C25 159.6(10) . 6_565
Si2 C32 C25 112.8(7) 6_565 6_565
O24 C32 H32A 98.2 6_565 .
O23 C32 H32A 58.0 6_565 .
C29 C32 H32A 108.8 . .
Si2 C32 H32A 42.7 6_565 .
C25 C32 H32A 83.7 6_565 .
O24 C32 H32B 101.0 6_565 .
O23 C32 H32B 126.7 6_565 .
C29 C32 H32B 110.1 . .
Si2 C32 H32B 142.7 6_565 .
C25 C32 H32B 79.3 6_565 .
H32A C32 H32B 109.2 . .
O24 C32 H32C 127.8 6_565 .
O23 C32 H32C 51.5 6_565 .
C29 C32 H32C 109.4 . .
Si2 C32 H32C 104.2 6_565 .
C25 C32 H32C 50.3 6_565 .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.7 . .
O42 C41 C42 108.7(9) . .
O42 C41 C43 104.5(9) . .
C42 C41 C43 112.4(10) . .
O42 C41 C44 110.1(12) . .
C42 C41 C44 109(3) . .
C43 C41 C44 112(2) . .
O42 C41 C44 111.4(10) . 6_565
C42 C41 C44 105(2) . 6_565
C43 C41 C44 115.2(17) . 6_565
C44 C41 C44 4(5) . 6_565
C41 C42 C51 120.2(10) . 7_557
C41 C42 H42A 109.7 . .
C51 C42 H42A 10.9 7_557 .
C41 C42 H42B 109.5 . .
C51 C42 H42B 106.5 7_557 .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.3 . .
C51 C42 H42C 101.5 7_557 .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.3 . .
C47 Si3 O41 122.0(6) 6_565 .
C47 Si3 O44 75.8(6) 6_565 .
O41 Si3 O44 106.0(3) . .
C47 Si3 O42 122.1(6) 6_565 .
O41 Si3 O42 112.6(4) . .
O44 Si3 O42 107.3(4) . .
C47 Si3 O43 37.1(5) 6_565 .
O41 Si3 O43 111.4(4) . .
O44 Si3 O43 112.9(4) . .
O42 Si3 O43 106.7(4) . .
Si3 O41 O41 120.8(2) . 6_565
Si3 O41 U1 169.8(4) . .
O41 O41 U1 66.52(17) 6_565 .
C41 O42 C64 107.6(8) . 6_565
C41 O42 Si3 132.7(6) . .
C64 O42 Si3 107.9(7) 6_565 .
C47 O43 C45 88.0(10) 6_565 .
C47 O43 O43 140.7(9) 6_565 6_565
C45 O43 O43 56.6(4) . 6_565
C47 O43 Si3 64.1(9) 6_565 .
C45 O43 Si3 130.8(6) . .
O43 O43 Si3 124.7(3) 6_565 .
C49 O44 Si3 129.9(6) . .
C49 O44 C47 105.5(6) . 6_565
Si3 O44 C47 49.2(5) . 6_565
C41 C43 H43A 109.8 . .
C41 C43 H43B 109.7 . .
H43A C43 H43B 109.5 . .
C41 C43 H43C 109.3 . .
H43A C43 H43C 109.3 . .
H43B C43 H43C 109.1 . .
C44 C44 C41 155(3) 6_565 .
C44 C44 C41 20.2(19) 6_565 6_565
C41 C44 C41 135.1(13) . 6_565
C44 C44 H44A 72.2 6_565 .
C41 C44 H44A 105.9 . .
C41 C44 H44A 73.2 6_565 .
C44 C44 H44B 55.0 6_565 .
C41 C44 H44B 107.6 . .
C41 C44 H44B 44.0 6_565 .
H44A C44 H44B 114.8 . .
C44 C44 H44C 98.7 6_565 .
C41 C44 H44C 104.8 . .
C41 C44 H44C 117.8 6_565 .
H44A C44 H44C 110.3 . .
H44B C44 H44C 112.7 . .
O43 C45 O43 66.8(8) 6_565 .
O43 C45 C46 126.0(6) 6_565 .
O43 C45 C46 126.0(6) . .
O43 C45 C48 108.5(6) 6_565 .
O43 C45 C48 108.5(6) . .
C46 C45 C48 113.0(7) . .
O43 C45 C47 102.6(8) 6_565 6_565
O43 C45 C47 37.4(5) . 6_565
C46 C45 C47 96.3(6) . 6_565
C48 C45 C47 107.8(5) . 6_565
O43 C45 C47 37.4(5) 6_565 .
O43 C45 C47 102.6(8) . .
C46 C45 C47 96.3(6) . .
C48 C45 C47 107.8(5) . .
C47 C45 C47 133.7(11) 6_565 .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.4 . .
H46A C46 H46B 108.4 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 110.6 . .
O43 C47 Si3 78.7(10) 6_565 6_565
O43 C47 C45 54.6(8) 6_565 .
Si3 C47 C45 118.8(9) 6_565 .
O43 C47 O44 133.5(12) 6_565 6_565
Si3 C47 O44 54.9(5) 6_565 6_565
C45 C47 O44 150.0(9) . 6_565
O43 C47 H47A 94.1 6_565 .
Si3 C47 H47A 31.0 6_565 .
C45 C47 H47A 109.5 . .
O44 C47 H47A 48.1 6_565 .
O43 C47 H47B 66.3 6_565 .
Si3 C47 H47B 78.8 6_565 .
C45 C47 H47B 109.5 . .
O44 C47 H47B 98.3 6_565 .
H47A C47 H47B 109.6 . .
O43 C47 H47C 155.6 6_565 .
Si3 C47 H47C 125.0 6_565 .
C45 C47 H47C 109.4 . .
O44 C47 H47C 70.1 6_565 .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.3 . .
C45 C48 H48A 109.4 . .
C45 C48 H48B 109.4 . .
H48A C48 H48B 109.5 . .
C45 C48 H48C 109.4 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
O2 C1 C3 109.4(8) . .
O2 C1 C2 106.3(7) . .
C3 C1 C2 112.1(9) . .
O2 C1 C63 106.7(11) . 6_565
C3 C1 C63 112.7(15) . 6_565
C2 C1 C63 109.3(13) . 6_565
O2 C1 C4 110.8(15) . .
C3 C1 C4 106.6(15) . .
C2 C1 C4 111.7(15) . .
C63 C1 C4 6(2) 6_565 .
O2 C1 Si4 97.4(5) . 6_565
C3 C1 Si4 125.8(7) . 6_565
C2 C1 Si4 13.9(5) . 6_565
C63 C1 Si4 102.6(12) 6_565 6_565
C4 C1 Si4 106.3(14) . 6_565
Si4 C2 O63 112.0(14) 6_565 6_565
Si4 C2 C1 142.9(12) 6_565 .
O63 C2 C1 98.4(11) 6_565 .
Si4 C2 O62 65.2(8) 6_565 6_565
O63 C2 O62 151.6(11) 6_565 6_565
C1 C2 O62 97.6(8) . 6_565
Si4 C2 H2A 83.1 6_565 .
O63 C2 H2A 40.7 6_565 .
C1 C2 H2A 109.4 . .
O62 C2 H2A 148.3 6_565 .
Si4 C2 H2B 35.1 6_565 .
O63 C2 H2B 145.7 6_565 .
C1 C2 H2B 109.8 . .
O62 C2 H2B 43.8 6_565 .
H2A C2 H2B 109.1 . .
Si4 C2 H2C 97.7 6_565 .
O63 C2 H2C 77.1 6_565 .
C1 C2 H2C 109.9 . .
O62 C2 H2C 75.4 6_565 .
H2A C2 H2C 109.1 . .
H2B C2 H2C 109.7 . .
O44 C49 C51 111.3(8) . .
O44 C49 C50 108.1(8) . .
C51 C49 C50 111.5(10) . .
O44 C49 C52 104.4(8) . .
C51 C49 C52 110.0(9) . .
C50 C49 C52 111.2(9) . .
O44 C49 C72 90.1(8) . 6_565
C51 C49 C72 149.0(11) . 6_565
C50 C49 C72 80.6(9) . 6_565
C52 C49 C72 40.6(8) . 6_565
C49 C50 H50A 109.3 . .
C49 C50 H50B 109.6 . .
H50A C50 H50B 109.6 . .
C49 C50 H50C 109.3 . .
H50A C50 H50C 109.3 . .
H50B C50 H50C 109.5 . .
C49 C51 C42 112.1(9) . 7_557
C49 C51 H51A 109.9 . .
C42 C51 H51A 100.0 7_557 .
C49 C51 H51B 109.4 . .
C42 C51 H51B 115.8 7_557 .
H51A C51 H51B 109.3 . .
C49 C51 H51C 109.7 . .
C42 C51 H51C 9.9 7_557 .
H51A C51 H51C 109.6 . .
H51B C51 H51C 109.0 . .
C72 C52 C49 82.8(13) 6_565 .
C72 C52 H52A 29.1 6_565 .
C49 C52 H52A 109.5 . .
C72 C52 H52B 132.1 6_565 .
C49 C52 H52B 109.7 . .
H52A C52 H52B 109.7 . .
C72 C52 H52C 109.1 6_565 .
C49 C52 H52C 109.3 . .
H52A C52 H52C 109.2 . .
H52B C52 H52C 109.4 . .
C2 Si4 O62 82.7(9) 6_565 .
C2 Si4 O61 104.8(7) 6_565 .
O62 Si4 O61 115.1(4) . .
C2 Si4 O63 35.5(9) 6_565 .
O62 Si4 O63 113.1(5) . .
O61 Si4 O63 105.8(4) . .
C2 Si4 O64 133.8(8) 6_565 .
O62 Si4 O64 105.9(4) . .
O61 Si4 O64 111.3(4) . .
O63 Si4 O64 105.2(4) . .
C2 Si4 C1 23.2(8) 6_565 6_565
O62 Si4 C1 74.9(4) . 6_565
O61 Si4 C1 88.2(3) . 6_565
O63 Si4 C1 55.5(4) . 6_565
O64 Si4 C1 156.7(4) . 6_565
Si4 O61 U1 153.3(4) . .
C61 O62 Si4 134.6(8) . .
C61 O62 C2 113.3(8) . 6_565
Si4 O62 C2 32.0(4) . 6_565
C2 O63 C65 130.7(10) 6_565 .
C2 O63 Si4 32.5(8) 6_565 .
C65 O63 Si4 134.4(7) . .
C69 O64 Si4 134.0(7) . .
C69 O64 C27 66.8(6) . 6_565
Si4 O64 C27 155.2(6) . 6_565
C63 C61 O62 104.3(10) . .
C63 C61 C64 110.1(16) . .
O62 C61 C64 108.8(9) . .
C63 C61 C62 120.6(14) . .
O62 C61 C62 102.1(9) . .
C64 C61 C62 110.0(13) . .
C63 C61 C4 8(2) . 6_565
O62 C61 C4 108.3(16) . 6_565
C64 C61 C4 114.6(19) . 6_565
C62 C61 C4 112.2(17) . 6_565
C61 C62 H62A 109.7 . .
C61 C62 H62B 109.2 . .
H62A C62 H62B 109.3 . .
C61 C62 H62C 109.6 . .
H62A C62 H62C 109.8 . .
H62B C62 H62C 109.2 . .
C4 C63 C61 105(10) 6_565 .
C4 C63 C1 125(10) 6_565 6_565
C61 C63 C1 112.1(17) . 6_565
C4 C63 H63A 49.8 6_565 .
C61 C63 H63A 108.9 . .
C1 C63 H63A 80.3 6_565 .
C4 C63 H63B 147.6 6_565 .
C61 C63 H63B 106.4 . .
C1 C63 H63B 32.7 6_565 .
H63A C63 H63B 112.1 . .
C4 C63 H63C 66.8 6_565 .
C61 C63 H63C 106.9 . .
C1 C63 H63C 131.8 6_565 .
H63A C63 H63C 112.8 . .
H63B C63 H63C 109.5 . .
C61 C64 O42 160.5(16) . 6_565
C61 C64 H64A 109.8 . .
O42 C64 H64A 76.1 6_565 .
C61 C64 H64B 109.3 . .
O42 C64 H64B 52.0 6_565 .
H64A C64 H64B 109.5 . .
C61 C64 H64C 109.5 . .
O42 C64 H64C 84.7 6_565 .
H64A C64 H64C 109.8 . .
H64B C64 H64C 108.9 . .
O63 C65 C66 110.7(10) . .
O63 C65 C68 108.0(10) . .
C66 C65 C68 116.1(14) . .
O63 C65 C67 104.5(12) . .
C66 C65 C67 107.4(13) . .
C68 C65 C67 109.5(14) . .
C66 C66 C65 148.5(8) 6_575 .
C66 C66 H66A 84.4 6_575 .
C65 C66 H66A 109.0 . .
C66 C66 H66B 91.1 6_575 .
C65 C66 H66B 109.7 . .
H66A C66 H66B 109.6 . .
C66 C66 H66C 43.2 6_575 .
C65 C66 H66C 105.7 . .
H66A C66 H66C 111.0 . .
H66B C66 H66C 111.8 . .
C65 C67 C3 95.1(11) . 6_565
C65 C67 H67A 109.1 . .
C3 C67 H67A 107.9 6_565 .
C65 C67 H67B 108.9 . .
C3 C67 H67B 16.1 6_565 .
H67A C67 H67B 109.4 . .
C65 C67 H67C 109.5 . .
C3 C67 H67C 123.8 6_565 .
H67A C67 H67C 110.0 . .
H67B C67 H67C 109.9 . .
C23 C68 C65 118.7(17) 6_565 .
C23 C68 H68A 125.7 6_565 .
C65 C68 H68A 109.1 . .
C23 C68 H68B 31.7 6_565 .
C65 C68 H68B 109.4 . .
H68A C68 H68B 109.7 . .
C23 C68 H68C 78.2 6_565 .
C65 C68 H68C 109.3 . .
H68A C68 H68C 109.6 . .
H68B C68 H68C 109.7 . .
O64 C69 C70 105.5(11) . .
O64 C69 C72 115.9(11) . .
C70 C69 C72 113.3(17) . .
O64 C69 C71 108.2(9) . .
C70 C69 C71 106.4(16) . .
C72 C69 C71 107.2(13) . .
O64 C69 C27 66.7(6) . 6_565
C70 C69 C27 46.4(11) . 6_565
C72 C69 C27 154.7(13) . 6_565
C71 C69 C27 94.8(10) . 6_565
C27 C70 C69 80.3(12) 6_565 .
C27 C70 H70A 29.4 6_565 .
C69 C70 H70A 109.0 . .
C27 C70 H70B 127.6 6_565 .
C69 C70 H70B 110.0 . .
H70A C70 H70B 109.8 . .
C27 C70 H70C 114.4 6_565 .
C69 C70 H70C 109.2 . .
H70A C70 H70C 108.8 . .
H70B C70 H70C 110.1 . .
C26 C71 C69 118.2(12) 6_565 .
C26 C71 H71A 68.5 6_565 .
C69 C71 H71A 109.5 . .
C26 C71 H71B 41.5 6_565 .
C69 C71 H71B 109.6 . .
H71A C71 H71B 109.5 . .
C26 C71 H71C 130.1 6_565 .
C69 C71 H71C 109.5 . .
H71A C71 H71C 109.3 . .
H71B C71 H71C 109.5 . .
C52 C72 C69 124.4(17) 6_565 .
C52 C72 C49 56.6(12) 6_565 6_565
C69 C72 C49 136.1(15) . 6_565
C52 C72 H72A 122.4 6_565 .
C69 C72 H72A 108.3 . .
C49 C72 H72A 100.8 6_565 .
C52 C72 H72B 74.9 6_565 .
C69 C72 H72B 109.4 . .
C49 C72 H72B 27.7 6_565 .
H72A C72 H72B 109.9 . .
C52 C72 H72C 36.0 6_565 .
C69 C72 H72C 109.0 . .
C49 C72 H72C 90.8 6_565 .
H72A C72 H72C 109.4 . .
H72B C72 H72C 110.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O21 2.101(6) 6_565
U1 O21 2.101(6) .
U1 O41 2.115(6) .
U1 O41 2.115(6) 6_565
U1 O61 2.120(6) .
U1 O61 2.120(6) 6_565
U1 O1 2.193(6) 6_565
U1 O1 2.193(6) .
U1 O2 2.551(6) .
U1 O2 2.551(6) 6_565
U1 Si1 3.113(3) 6_565
U1 Si1 3.113(3) .
Si1 O1 0.963(6) 6_565
Si1 Si1 1.449(5) 6_565
Si1 O1 1.584(6) .
Si1 O3 1.607(7) .
Si1 O4 1.610(7) .
Si1 O2 1.671(6) .
Si1 O3 2.117(7) 6_565
O1 Si1 0.963(6) 6_565
O1 O1 1.093(12) 6_565
O1 O2 1.370(8) 6_565
O2 O1 1.370(8) 6_565
O2 C1 1.453(10) .
O3 O3 1.311(13) 6_565
O3 C6 1.381(15) 6_565
O3 C5 1.416(9) .
O3 Si1 2.117(7) 6_565
O4 C9 1.442(19) .
O4 C12 1.49(4) 6_565
C3 C1 1.508(14) .
C3 C67 1.84(2) 6_565
C3 H3A 0.9792 .
C3 H3B 0.9779 .
C3 H3C 0.9808 .
C4 C63 0.23(6) 6_565
C4 C61 1.53(4) 6_565
C4 C1 1.74(4) .
C4 H4A 0.9365 .
C4 H4B 0.9986 .
C4 H4C 0.9946 .
C5 O3 1.416(9) 6_565
C5 C7 1.498(16) 6_565
C5 C7 1.498(16) .
C5 C8 1.502(11) .
C5 C6 1.575(18) 6_565
C5 C6 1.575(18) .
C6 O3 1.381(15) 6_565
C6 C7 1.41(2) 6_565
C6 H6A 0.9830 .
C6 H6B 0.9760 .
C6 H6C 0.9791 .
C7 C6 1.41(2) 6_565
C7 C7 1.55(4) 6_565
C7 H7A 0.9783 .
C7 H7B 0.9797 .
C7 H7C 0.9790 .
C8 H8A 0.9808 .
C8 H8B 0.9803 .
C8 H8C 0.9785 .
C9 C12 0.15(6) 6_565
C9 C11 1.41(3) .
C9 C12 1.45(2) .
C9 C10 1.47(3) .
C9 C9 1.54(4) 6_565
C10 C12 1.60(4) 6_565
C10 H10A 0.9655 .
C10 H10B 0.9887 .
C10 H10C 0.9806 .
C11 C12 1.36(4) 6_565
C11 H11A 0.9751 .
C11 H11B 0.9913 .
C11 H11C 0.9762 .
C12 C9 0.15(6) 6_565
C12 C12 1.36(7) 6_565
C12 C11 1.36(4) 6_565
C12 O4 1.49(4) 6_565
C12 C10 1.60(4) 6_565
C12 H12A 0.9829 .
C12 H12B 0.9668 .
C12 H12C 1.0176 .
C21 O22 1.445(10) .
C21 C23 1.503(15) .
C21 C22 1.527(14) .
C21 C24 1.530(14) .
C21 C30 1.975(14) 6_565
C22 C30 1.868(15) 6_565
C22 H22A 0.9795 .
C22 H22B 0.9814 .
C22 H22C 0.9788 .
Si2 C32 1.505(11) 6_565
Si2 O23 1.619(6) .
Si2 O22 1.623(6) .
Si2 O21 1.634(6) .
Si2 O24 1.645(18) .
Si2 C29 1.74(3) 6_565
Si2 C30 1.800(13) 6_565
O21 O21 1.356(11) 6_565
O22 C30 1.525(14) 6_565
O23 C25 1.438(10) .
O23 C32 1.467(12) 6_565
O24 C29 0.470(17) 6_565
O24 O24 1.11(3) 6_565
O24 C32 1.42(2) 6_565
O24 C29 1.433(12) .
O24 C30 1.772(18) 6_565
O24 C31 1.853(17) 6_565
C23 C68 1.41(2) 6_565
C23 H23A 0.9780 .
C23 H23B 0.9792 .
C23 H23C 0.9802 .
C24 C24 0.83(2) 2_656
C24 H24A 0.9813 .
C24 H24B 0.9787 .
C24 H24C 0.9803 .
C25 C26 1.513(16) .
C25 C28 1.529(15) .
C25 C27 1.559(16) .
C25 C32 1.854(14) 6_565
C26 C71 1.45(2) 6_565
C26 H26A 0.9814 .
C26 H26B 0.9790 .
C26 H26C 0.9779 .
C27 C70 1.32(3) 6_565
C27 O64 1.794(14) 6_565
C27 C69 1.795(16) 6_565
C27 H27A 0.9722 .
C27 H27B 0.9828 .
C27 H27C 0.9805 .
C28 H28A 0.9797 .
C28 H28B 0.9779 .
C28 H28C 0.9812 .
C29 O24 0.470(17) 6_565
C29 C32 1.49(3) .
C29 C30 1.51(3) .
C29 C31 1.53(2) .
C29 C29 1.65(5) 6_565
C29 Si2 1.74(3) 6_565
C30 O22 1.525(14) 6_565
C30 O24 1.772(18) 6_565
C30 Si2 1.800(13) 6_565
C30 C22 1.868(15) 6_565
C30 C21 1.975(14) 6_565
C30 H30A 0.9774 .
C30 H30B 0.9803 .
C30 H30C 0.9824 .
C31 C31 1.81(2) 6_565
C31 O24 1.853(17) 6_565
C31 H31A 0.9844 .
C31 H31B 0.9825 .
C31 H31C 0.9752 .
C32 O24 1.42(2) 6_565
C32 O23 1.467(12) 6_565
C32 Si2 1.505(11) 6_565
C32 C25 1.854(14) 6_565
C32 H32A 0.9828 .
C32 H32B 0.9801 .
C32 H32C 0.9769 .
C41 O42 1.449(12) .
C41 C42 1.503(15) .
C41 C43 1.511(16) .
C41 C44 1.56(16) .
C41 C44 1.89(16) 6_565
C42 C51 1.720(16) 7_557
C42 H42A 0.9784 .
C42 H42B 0.9806 .
C42 H42C 0.9813 .
Si3 C47 1.495(13) 6_565
Si3 O41 1.613(6) .
Si3 O44 1.616(7) .
Si3 O42 1.622(7) .
Si3 O43 1.630(7) .
O41 O41 1.686(13) 6_565
O42 C64 1.534(16) 6_565
O43 C47 1.003(14) 6_565
O43 C45 1.346(9) .
O43 O43 1.482(15) 6_565
O44 C49 1.451(11) .
O44 C47 1.914(16) 6_565
C43 H43A 0.9780 .
C43 H43B 0.9811 .
C43 H43C 0.9835 .
C44 C44 0.4(4) 6_565
C44 C41 1.89(16) 6_565
C44 H44A 0.9639 .
C44 H44B 0.9353 .
C44 H44C 0.9867 .
C45 O43 1.346(9) 6_565
C45 C46 1.460(12) .
C45 C48 1.507(11) .
C45 C47 1.650(14) 6_565
C45 C47 1.650(14) .
C46 H46A 0.9800 .
C46 H46B 0.9792 .
C46 H46C 0.9800 .
C47 O43 1.003(14) 6_565
C47 Si3 1.495(13) 6_565
C47 O44 1.914(16) 6_565
C47 H47A 0.9782 .
C47 H47B 0.9801 .
C47 H47C 0.9813 .
C48 H48A 0.9797 .
C48 H48B 0.9798 .
C48 H48C 0.9795 .
C1 C2 1.524(15) .
C1 C63 1.60(2) 6_565
C1 Si4 2.333(10) 6_565
C2 Si4 0.929(12) 6_565
C2 O63 1.004(13) 6_565
C2 O62 1.738(15) 6_565
C2 H2A 0.9860 .
C2 H2B 0.9790 .
C2 H2C 0.9784 .
C49 C51 1.502(14) .
C49 C50 1.515(14) .
C49 C52 1.530(16) .
C49 C72 1.82(3) 6_565
C50 H50A 0.9802 .
C50 H50B 0.9773 .
C50 H50C 0.9815 .
C51 C42 1.720(16) 7_557
C51 H51A 0.9779 .
C51 H51B 0.9848 .
C51 H51C 0.9809 .
C52 C72 1.19(2) 6_565
C52 H52A 0.9803 .
C52 H52B 0.9773 .
C52 H52C 0.9829 .
Si4 C2 0.929(12) 6_565
Si4 O62 1.591(8) .
Si4 O61 1.598(7) .
Si4 O63 1.603(8) .
Si4 O64 1.630(8) .
Si4 C1 2.333(10) 6_565
O62 C61 1.458(12) .
O62 C2 1.738(15) 6_565
O63 C2 1.004(13) 6_565
O63 C65 1.425(12) .
O64 C69 1.418(12) .
O64 C27 1.794(14) 6_565
C61 C63 1.45(3) .
C61 C64 1.466(17) .
C61 C62 1.512(16) .
C61 C4 1.53(4) 6_565
C62 H62A 0.9774 .
C62 H62B 0.9844 .
C62 H62C 0.9787 .
C63 C4 0.23(6) 6_565
C63 C1 1.60(2) 6_565
C63 H63A 0.9452 .
C63 H63B 0.9834 .
C63 H63C 0.9765 .
C64 O42 1.534(16) 6_565
C64 H64A 0.9741 .
C64 H64B 0.9855 .
C64 H64C 0.9820 .
C65 C66 1.485(18) .
C65 C68 1.49(2) .
C65 C67 1.54(2) .
C66 C66 1.33(3) 6_575
C66 H66A 0.9871 .
C66 H66B 0.9713 .
C66 H66C 0.9108 .
C67 C3 1.84(2) 6_565
C67 H67A 0.9797 .
C67 H67B 0.9814 .
C67 H67C 0.9735 .
C68 C23 1.41(2) 6_565
C68 H68A 0.9797 .
C68 H68B 0.9779 .
C68 H68C 0.9789 .
C69 C70 1.460(18) .
C69 C72 1.50(2) .
C69 C71 1.510(19) .
C69 C27 1.795(16) 6_565
C70 C27 1.32(3) 6_565
C70 H70A 0.9856 .
C70 H70B 0.9707 .
C70 H70C 0.9821 .
C71 C26 1.45(2) 6_565
C71 H71A 0.9811 .
C71 H71B 0.9785 .
C71 H71C 0.9810 .
C72 C52 1.19(2) 6_565
C72 C49 1.82(3) 6_565
C72 H72A 0.9864 .
C72 H72B 0.9683 .
C72 H72C 0.9751 .
