#------------------------------------------------------------------------------
#$Date: 2023-04-20 09:45:28 +0300 (Thu, 20 Apr 2023) $
#$Revision: 282761 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/31/1543104.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_1543104
loop_
_publ_author_name
'Tsoureas, Nikolaos'
'Kilpatrick, Alexander F. R.'
'Inman, Christopher J.'
'Cloke, F. Geoffrey N.'
_publ_section_title
;
 Steric control of redox events in organo-uranium chemistry: synthesis and
 characterisation of U(v) oxo and nitrido complexes
;
_journal_issue                   7
_journal_name_full               'Chem. Sci.'
_journal_page_first              4624
_journal_paper_doi               10.1039/C6SC00632A
_journal_volume                  7
_journal_year                    2016
_chemical_formula_moiety         'C72 H126 N Na1 O6 Si4 U2'
_chemical_formula_sum            'C120 H204 N2 Na O6 Si8 U4'
_chemical_formula_weight         2970.66
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-01-26 deposited with the CCDC.
2016-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                98.997(3)
_cell_angle_beta                 99.477(2)
_cell_angle_gamma                109.711(3)
_cell_formula_units_Z            1
_cell_length_a                   12.3696(4)
_cell_length_b                   13.4214(5)
_cell_length_c                   21.7314(6)
_cell_measurement_reflns_used    9152
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      69.9180
_cell_measurement_theta_min      4.1950
_cell_volume                     3261.6(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'DIRDIFF 2008'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.1033
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_unetI/netI     0.0566
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            19866
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.167
_diffrn_reflns_theta_min         3.593
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'Enhance Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    14.900
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60094
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_meas      ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1477
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Et2O/THF'
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.544
_refine_diff_density_min         -1.006
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     625
_refine_ls_number_reflns         11925
_refine_ls_number_restraints     148
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0421P)²+3.8670P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0908
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9505
_reflns_number_total             11925
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6sc00632a2.cif
_cod_data_source_block           10
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 1543100--1543105.cif.

2023-04-19
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_weight         1485.33
_cod_original_formula_units_Z            2
_cod_original_formula_sum        'C60 H102 N Na0.50 O3 Si4 U2'
_cod_database_code               1543104
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.213
_shelx_estimated_absorpt_t_max   0.382
_shelxl_version_number           2013-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.1669(6) 0.2120(5) 0.2851(4) 0.0365(15) Uani 1 1 d . . . . .
H1 H -0.2001 0.2661 0.2913 0.044 Uiso 1 1 calc R U . . .
C2 C -0.1140(6) 0.2168(6) 0.2336(4) 0.0420(18) Uani 1 1 d . . . . .
H2 H -0.1265 0.2680 0.2105 0.050 Uiso 1 1 calc R U . . .
C3 C -0.0455(6) 0.1630(6) 0.2077(3) 0.0376(16) Uani 1 1 d . . . . .
H3 H -0.0246 0.1855 0.1706 0.045 Uiso 1 1 calc R U . . .
C4 C -0.0008(6) 0.0847(5) 0.2230(3) 0.0334(14) Uani 1 1 d . . . . .
H4 H 0.0466 0.0709 0.1951 0.040 Uiso 1 1 calc R U . . .
C5 C -0.0078(6) 0.0205(5) 0.2694(3) 0.0305(14) Uani 1 1 d . . . . .
C6 C -0.0704(5) 0.0151(5) 0.3189(3) 0.0275(13) Uani 1 1 d . . . . .
H6 H -0.0591 -0.0358 0.3426 0.033 Uiso 1 1 calc R U . . .
C7 C -0.1436(6) 0.0629(5) 0.3425(3) 0.0290(13) Uani 1 1 d . . . . .
H7 H -0.1744 0.0305 0.3749 0.035 Uiso 1 1 calc R U . . .
C8 C -0.1846(6) 0.1463(5) 0.3316(3) 0.0319(14) Uani 1 1 d . . . . .
C9 C 0.2549(7) 0.2577(6) 0.4266(3) 0.0379(16) Uani 1 1 d . . . . .
C10 C 0.1616(9) 0.1787(7) 0.4443(4) 0.053(2) Uani 1 1 d . . . . .
C11 C 0.0870(7) 0.2288(7) 0.4646(3) 0.0460(19) Uani 1 1 d . . . . .
C12 C 0.0874(9) 0.4252(9) 0.4844(4) 0.062(3) Uani 1 1 d . . . . .
H12A H 0.0139 0.3912 0.4974 0.093 Uiso 1 1 calc R U . . .
H12B H 0.0719 0.4604 0.4495 0.093 Uiso 1 1 calc R U . . .
H12C H 0.1458 0.4797 0.5210 0.093 Uiso 1 1 calc R U . . .
C13 C 0.1348(6) 0.3392(6) 0.4618(3) 0.0366(15) Uani 1 1 d . . . . .
C14 C 0.2378(6) 0.3564(6) 0.4395(3) 0.0330(14) Uani 1 1 d . . . . .
C15 C 0.3264(7) 0.4657(7) 0.4382(4) 0.050(2) Uani 1 1 d . . . . .
H15A H 0.3906 0.4552 0.4204 0.076 Uiso 1 1 calc R U . . .
H15B H 0.3587 0.5109 0.4819 0.076 Uiso 1 1 calc R U . . .
H15C H 0.2873 0.5019 0.4115 0.076 Uiso 1 1 calc R U . . .
C16A C 0.1797(19) 0.0711(15) 0.4441(9) 0.050(3) Uani 0.534(18) 1 d . . P A 3
H16A H 0.2440 0.0701 0.4234 0.075 Uiso 0.534(18) 1 calc R U P A 3
H16B H 0.1068 0.0104 0.4206 0.075 Uiso 0.534(18) 1 calc R U P A 3
H16C H 0.1998 0.0640 0.4884 0.075 Uiso 0.534(18) 1 calc R U P A 3
C17A C -0.0164(18) 0.2015(16) 0.4992(9) 0.050(3) Uani 0.534(18) 1 d . . P A 3
H17A H -0.0438 0.2622 0.5045 0.075 Uiso 0.534(18) 1 calc R U P A 3
H17B H 0.0110 0.1895 0.5413 0.075 Uiso 0.534(18) 1 calc R U P A 3
H17C H -0.0816 0.1356 0.4735 0.075 Uiso 0.534(18) 1 calc R U P A 3
C16B C 0.131(2) 0.0633(17) 0.4581(10) 0.050(3) Uani 0.466(18) 1 d . . P A 4
H16D H 0.1843 0.0306 0.4431 0.075 Uiso 0.466(18) 1 calc R U P A 4
H16E H 0.0491 0.0178 0.4357 0.075 Uiso 0.466(18) 1 calc R U P A 4
H16F H 0.1396 0.0690 0.5043 0.075 Uiso 0.466(18) 1 calc R U P A 4
C17B C 0.001(2) 0.1617(18) 0.4955(10) 0.050(3) Uani 0.466(18) 1 d . . P A 4
H17D H -0.0487 0.2009 0.5089 0.075 Uiso 0.466(18) 1 calc R U P A 4
H17E H 0.0426 0.1465 0.5331 0.075 Uiso 0.466(18) 1 calc R U P A 4
H17F H -0.0495 0.0930 0.4650 0.075 Uiso 0.466(18) 1 calc R U P A 4
C18 C -0.4406(7) 0.1272(10) 0.3095(5) 0.070(3) Uani 1 1 d . . . . .
H18A H -0.4625 0.0538 0.2834 0.106 Uiso 1 1 calc R U . . .
H18B H -0.4265 0.1796 0.2821 0.106 Uiso 1 1 calc R U . . .
H18C H -0.5049 0.1304 0.3298 0.106 Uiso 1 1 calc R U . . .
C19 C -0.3437(9) 0.0628(9) 0.4258(6) 0.076(3) Uani 1 1 d . . . . .
H19A H -0.3641 -0.0114 0.4012 0.113 Uiso 1 1 calc R U . . .
H19B H -0.4116 0.0680 0.4419 0.113 Uiso 1 1 calc R U . . .
H19C H -0.2765 0.0804 0.4621 0.113 Uiso 1 1 calc R U . . .
C20 C -0.2650(9) 0.2996(8) 0.4210(5) 0.066(3) Uani 1 1 d . . . . .
H20A H -0.1933 0.3189 0.4546 0.099 Uiso 1 1 calc R U . . .
H20B H -0.3302 0.3019 0.4408 0.099 Uiso 1 1 calc R U . . .
H20C H -0.2515 0.3514 0.3933 0.099 Uiso 1 1 calc R U . . .
C21 C 0.2115(8) -0.0231(8) 0.2399(6) 0.066(3) Uani 1 1 d . . . . .
H21A H 0.2434 -0.0802 0.2314 0.099 Uiso 1 1 calc R U . . .
H21B H 0.2626 0.0319 0.2784 0.099 Uiso 1 1 calc R U . . .
H21C H 0.2084 0.0109 0.2033 0.099 Uiso 1 1 calc R U . . .
C22 C 0.0630(11) -0.1652(8) 0.3145(5) 0.072(3) Uani 1 1 d . . . . .
H22A H 0.0990 -0.2177 0.3019 0.109 Uiso 1 1 calc R U . . .
H22B H -0.0175 -0.2040 0.3182 0.109 Uiso 1 1 calc R U . . .
H22C H 0.1101 -0.1165 0.3558 0.109 Uiso 1 1 calc R U . . .
C23 C -0.0401(9) -0.1822(7) 0.1772(5) 0.065(3) Uani 1 1 d . . . . .
H23A H -0.0097 -0.2396 0.1659 0.098 Uiso 1 1 calc R U . . .
H23B H -0.0420 -0.1436 0.1426 0.098 Uiso 1 1 calc R U . . .
H23C H -0.1201 -0.2147 0.1835 0.098 Uiso 1 1 calc R U . . .
C25 C 0.4521(6) 0.5631(5) 0.2155(3) 0.0297(13) Uani 1 1 d . . . . .
H25 H 0.5014 0.6366 0.2195 0.036 Uiso 1 1 calc R U . . .
C26 C 0.3668(6) 0.5232(5) 0.1573(3) 0.0318(14) Uani 1 1 d . . . . .
H26 H 0.3773 0.5757 0.1318 0.038 Uiso 1 1 calc R U . . .
C27 C 0.2688(6) 0.4257(6) 0.1260(4) 0.0360(15) Uani 1 1 d . . . . .
C28 C 0.2237(6) 0.3248(6) 0.1452(4) 0.0369(15) Uani 1 1 d . . . . .
H28 H 0.1496 0.2773 0.1183 0.044 Uiso 1 1 calc R U . . .
C29 C 0.2632(6) 0.2798(5) 0.1944(4) 0.0361(16) Uani 1 1 d . . . . .
H29 H 0.2173 0.2047 0.1880 0.043 Uiso 1 1 calc R U . . .
C30 C 0.3521(7) 0.3174(6) 0.2498(4) 0.0388(16) Uani 1 1 d . . . . .
H30 H 0.3534 0.2611 0.2711 0.047 Uiso 1 1 calc R U . . .
C31 C 0.4420(6) 0.4190(6) 0.2829(4) 0.0371(16) Uani 1 1 d . . . . .
H31 H 0.4827 0.4159 0.3232 0.044 Uiso 1 1 calc R U . . .
C32 C 0.4857(6) 0.5247(6) 0.2699(3) 0.0341(15) Uani 1 1 d . . . . .
C33 C 0.2589(10) 0.5373(9) 0.0097(4) 0.067(3) Uani 1 1 d . . . . .
H33A H 0.2179 0.5242 -0.0351 0.100 Uiso 1 1 calc R U . . .
H33B H 0.3435 0.5555 0.0126 0.100 Uiso 1 1 calc R U . . .
H33C H 0.2469 0.5977 0.0354 0.100 Uiso 1 1 calc R U . . .
C34 C 0.2340(12) 0.3035(10) -0.0074(5) 0.088(4) Uani 1 1 d . . . . .
H34A H 0.1987 0.2925 -0.0530 0.132 Uiso 1 1 calc R U . . .
H34B H 0.2021 0.2355 0.0063 0.132 Uiso 1 1 calc R U . . .
H34C H 0.3199 0.3259 -0.0008 0.132 Uiso 1 1 calc R U . . .
C35 C 0.0335(8) 0.3674(9) 0.0243(5) 0.073(3) Uani 1 1 d . . . . .
H35A H 0.0018 0.3615 -0.0210 0.109 Uiso 1 1 calc R U . . .
H35B H 0.0126 0.4210 0.0508 0.109 Uiso 1 1 calc R U . . .
H35C H 0.0000 0.2966 0.0348 0.109 Uiso 1 1 calc R U . . .
C37A C 0.685(3) 0.757(2) 0.3151(16) 0.081(3) Uani 0.607(15) 1 d . . P B 1
H37A H 0.6217 0.7839 0.3050 0.121 Uiso 0.607(15) 1 calc R U P B 1
H37B H 0.7228 0.7536 0.2788 0.121 Uiso 0.607(15) 1 calc R U P B 1
H37C H 0.7444 0.8063 0.3532 0.121 Uiso 0.607(15) 1 calc R U P B 1
C36A C 0.5922(15) 0.6734(17) 0.4108(10) 0.081(3) Uani 0.607(15) 1 d . . P B 1
H36A H 0.5386 0.7121 0.4030 0.121 Uiso 0.607(15) 1 calc R U P B 1
H36B H 0.6664 0.7233 0.4404 0.121 Uiso 0.607(15) 1 calc R U P B 1
H36C H 0.5554 0.6125 0.4298 0.121 Uiso 0.607(15) 1 calc R U P B 1
C38A C 0.7221(16) 0.5492(16) 0.3517(11) 0.081(3) Uani 0.607(15) 1 d . . P B 1
H38A H 0.6764 0.4779 0.3584 0.121 Uiso 0.607(15) 1 calc R U P B 1
H38B H 0.7813 0.5925 0.3912 0.121 Uiso 0.607(15) 1 calc R U P B 1
H38C H 0.7617 0.5395 0.3170 0.121 Uiso 0.607(15) 1 calc R U P B 1
C37B C 0.702(4) 0.738(4) 0.303(2) 0.081(3) Uani 0.393(15) 1 d . . P B 2
H37D H 0.6917 0.7176 0.2560 0.121 Uiso 0.393(15) 1 calc R U P B 2
H37E H 0.7857 0.7659 0.3236 0.121 Uiso 0.393(15) 1 calc R U P B 2
H37F H 0.6690 0.7939 0.3127 0.121 Uiso 0.393(15) 1 calc R U P B 2
C36B C 0.615(2) 0.604(3) 0.4061(15) 0.081(3) Uani 0.393(15) 1 d . . P B 2
H36D H 0.5675 0.5285 0.4047 0.121 Uiso 0.393(15) 1 calc R U P B 2
H36E H 0.5789 0.6522 0.4248 0.121 Uiso 0.393(15) 1 calc R U P B 2
H36F H 0.6950 0.6231 0.4324 0.121 Uiso 0.393(15) 1 calc R U P B 2
C38B C 0.741(2) 0.562(3) 0.3094(17) 0.081(3) Uani 0.393(15) 1 d . . P B 2
H38D H 0.7485 0.5668 0.2656 0.121 Uiso 0.393(15) 1 calc R U P B 2
H38E H 0.7169 0.4856 0.3124 0.121 Uiso 0.393(15) 1 calc R U P B 2
H38F H 0.8176 0.6043 0.3394 0.121 Uiso 0.393(15) 1 calc R U P B 2
C39A C 0.322(3) 0.717(2) 0.3867(12) 0.053(3) Uani 0.410(19) 1 d . . P C 5
H39A H 0.2914 0.6919 0.4226 0.079 Uiso 0.410(19) 1 calc R U P C 5
H39B H 0.3385 0.7948 0.3920 0.079 Uiso 0.410(19) 1 calc R U P C 5
H39C H 0.3954 0.7039 0.3858 0.079 Uiso 0.410(19) 1 calc R U P C 5
C43A C 0.050(3) 0.547(2) 0.3541(12) 0.053(3) Uani 0.410(19) 1 d . . P C 5
H43A H -0.0303 0.4946 0.3354 0.079 Uiso 0.410(19) 1 calc R U P C 5
H43B H 0.0477 0.6123 0.3803 0.079 Uiso 0.410(19) 1 calc R U P C 5
H43C H 0.0941 0.5146 0.3811 0.079 Uiso 0.410(19) 1 calc R U P C 5
C39B C 0.2702(19) 0.6946(14) 0.3968(8) 0.053(3) Uani 0.590(19) 1 d . . P C 6
H39D H 0.2149 0.6466 0.4168 0.079 Uiso 0.590(19) 1 calc R U P C 6
H39E H 0.2720 0.7687 0.4089 0.079 Uiso 0.590(19) 1 calc R U P C 6
H39F H 0.3494 0.6943 0.4115 0.079 Uiso 0.590(19) 1 calc R U P C 6
C43B C 0.012(2) 0.5231(15) 0.3282(9) 0.053(3) Uani 0.590(19) 1 d . . P C 6
H43D H -0.0563 0.4751 0.2939 0.079 Uiso 0.590(19) 1 calc R U P C 6
H43E H -0.0094 0.5782 0.3530 0.079 Uiso 0.590(19) 1 calc R U P C 6
H43F H 0.0360 0.4803 0.3564 0.079 Uiso 0.590(19) 1 calc R U P C 6
C40 C 0.3874(8) 0.7824(7) 0.2783(7) 0.078(4) Uani 1 1 d . . . . .
H40A H 0.3986 0.7912 0.2356 0.116 Uiso 1 1 calc R U . . .
H40B H 0.4532 0.7673 0.3012 0.116 Uiso 1 1 calc R U . . .
H40C H 0.3846 0.8493 0.3024 0.116 Uiso 1 1 calc R U . . .
C41 C 0.1854(10) 0.6621(8) 0.1505(5) 0.063(3) Uani 1 1 d . . . . .
H41A H 0.2644 0.7124 0.1510 0.095 Uiso 1 1 calc R U . . .
H41B H 0.1278 0.6959 0.1403 0.095 Uiso 1 1 calc R U . . .
H41C H 0.1647 0.5950 0.1180 0.095 Uiso 1 1 calc R U . . .
C42 C -0.0325(8) 0.5014(8) 0.1870(7) 0.080(4) Uani 1 1 d . . . . .
H42A H -0.0866 0.4594 0.2100 0.120 Uiso 1 1 calc R U . . .
H42B H -0.0230 0.4518 0.1520 0.120 Uiso 1 1 calc R U . . .
H42C H -0.0647 0.5512 0.1695 0.120 Uiso 1 1 calc R U . . .
C44 C 0.2298(9) 0.6538(6) 0.3230(4) 0.047(2) Uani 1 1 d . . . . .
C45 C 0.2732(7) 0.6893(6) 0.2719(4) 0.0451(19) Uani 1 1 d . . . . .
C46 C 0.1842(7) 0.6357(6) 0.2158(4) 0.0414(17) Uani 1 1 d . . . . .
C47 C 0.0857(7) 0.5657(6) 0.2325(5) 0.047(2) Uani 1 1 d . . . . .
C48 C 0.1139(8) 0.5789(7) 0.2991(4) 0.051(2) Uani 1 1 d . . . . .
C49A C 0.7982(15) 0.085(2) 0.0475(8) 0.064(2) Uani 0.66(3) 1 d . U P D 7
H49A H 0.7755 0.0517 0.0833 0.076 Uiso 0.66(3) 1 calc R U P D 7
H49B H 0.8328 0.1653 0.0635 0.076 Uiso 0.66(3) 1 calc R U P D 7
C50A C 0.8872(9) 0.0449(9) 0.0217(5) 0.064(2) Uani 0.66(3) 1 d . U P D 7
H50A H 0.9694 0.0957 0.0414 0.076 Uiso 0.66(3) 1 calc R U P D 7
H50B H 0.8780 -0.0283 0.0287 0.076 Uiso 0.66(3) 1 calc R U P D 7
C49B C 0.783(3) 0.025(4) 0.0433(16) 0.064(2) Uani 0.34(3) 1 d . U P D 8
H49C H 0.8000 0.0701 0.0871 0.076 Uiso 0.34(3) 1 calc R U P D 8
H49D H 0.7471 -0.0522 0.0443 0.076 Uiso 0.34(3) 1 calc R U P D 8
C50B C 0.8872(9) 0.0449(9) 0.0217(5) 0.064(2) Uani 0.34(3) 1 d . U P D 8
H50C H 0.9195 -0.0119 0.0280 0.076 Uiso 0.34(3) 1 calc R U P D 8
H50D H 0.9475 0.1166 0.0452 0.076 Uiso 0.34(3) 1 calc R U P D 8
C51 C 0.8533(10) 0.0424(11) -0.0488(6) 0.080(3) Uani 1 1 d . . . . .
H51A H 0.8296 -0.0321 -0.0751 0.096 Uiso 1 1 calc R U . D 7
H51B H 0.9202 0.0917 -0.0624 0.096 Uiso 1 1 calc R U . D 7
C52 C 0.7504(8) 0.0803(9) -0.0560(5) 0.061(2) Uani 1 1 d . . . . .
H52A H 0.7780 0.1593 -0.0540 0.073 Uiso 1 1 calc R U . . .
H52B H 0.6923 0.0410 -0.0971 0.073 Uiso 1 1 calc R U . . .
C53A C 0.474(3) 0.1848(17) -0.0850(10) 0.071(2) Uani 0.68(6) 1 d . U P E 9
H53A H 0.5526 0.2273 -0.0908 0.085 Uiso 0.68(6) 1 calc R U P E 9
H53B H 0.4654 0.2182 -0.0429 0.085 Uiso 0.68(6) 1 calc R U P E 9
C54A C 0.3793(11) 0.1840(9) -0.1375(5) 0.071(2) Uani 0.68(6) 1 d . U P E 9
H54A H 0.3093 0.1854 -0.1214 0.085 Uiso 0.68(6) 1 calc R U P E 9
H54B H 0.4081 0.2473 -0.1568 0.085 Uiso 0.68(6) 1 calc R U P E 9
C53B C 0.426(7) 0.174(4) -0.076(2) 0.071(2) Uani 0.32(6) 1 d . U P E 10
H53C H 0.3653 0.1613 -0.0504 0.085 Uiso 0.32(6) 1 calc R U P E 10
H53D H 0.4948 0.2399 -0.0531 0.085 Uiso 0.32(6) 1 calc R U P E 10
C54B C 0.3793(11) 0.1840(9) -0.1375(5) 0.071(2) Uani 0.32(6) 1 d . U P E 10
H54C H 0.4379 0.2444 -0.1494 0.085 Uiso 0.32(6) 1 calc R U P E 10
H54D H 0.3072 0.2007 -0.1373 0.085 Uiso 0.32(6) 1 calc R U P E 10
C55 C 0.3507(9) 0.0816(9) -0.1843(5) 0.066(3) Uani 1 1 d . . . . .
H55A H 0.3703 0.0962 -0.2252 0.080 Uiso 1 1 calc R U . E 9
H55B H 0.2656 0.0362 -0.1928 0.080 Uiso 1 1 calc R U . E 9
C56 C 0.4238(10) 0.0270(8) -0.1544(4) 0.063(3) Uani 1 1 d . . . . .
H56A H 0.3770 -0.0516 -0.1611 0.075 Uiso 1 1 calc R U . . .
H56B H 0.4929 0.0355 -0.1734 0.075 Uiso 1 1 calc R U . . .
C57 C 0.3617(9) 0.2414(11) 0.4096(4) 0.082(4) Uani 1 1 d . . . . .
H57A H 0.3498 0.1642 0.4031 0.123 Uiso 1 1 calc R U . . .
H57B H 0.4314 0.2837 0.4445 0.123 Uiso 1 1 calc R U . . .
H57C H 0.3737 0.2657 0.3701 0.123 Uiso 1 1 calc R U . . .
C58 C 0.6544(8) 0.2516(8) 0.0972(6) 0.073(3) Uani 1 1 d . . . . .
H58A H 0.6834 0.2742 0.0598 0.088 Uiso 1 1 calc R U . D 7
H58B H 0.7110 0.2258 0.1212 0.088 Uiso 1 1 calc R U . D 7
C59A C 0.4601(11) 0.2050(9) 0.1043(7) 0.090(3) Uani 0.66(3) 1 d . U P D 7
H59A H 0.4387 0.1688 0.1393 0.108 Uiso 0.66(3) 1 calc R U P D 7
H59B H 0.3872 0.1894 0.0715 0.108 Uiso 0.66(3) 1 calc R U P D 7
C60A C 0.524(3) 0.326(2) 0.1299(15) 0.090(3) Uani 0.66(3) 1 d . U P D 7
H60A H 0.5011 0.3657 0.0988 0.108 Uiso 0.66(3) 1 calc R U P D 7
H60B H 0.5046 0.3494 0.1708 0.108 Uiso 0.66(3) 1 calc R U P D 7
C61A C 0.6424(10) 0.3440(9) 0.1392(7) 0.090(3) Uani 0.66(3) 1 d . U P D 7
H61A H 0.6762 0.3487 0.1847 0.108 Uiso 0.66(3) 1 calc R U P D 7
H61B H 0.6850 0.4131 0.1281 0.108 Uiso 0.66(3) 1 calc R U P D 7
C59B C 0.4601(11) 0.2050(9) 0.1043(7) 0.090(3) Uani 0.34(3) 1 d . U P D 8
H59C H 0.4541 0.1853 0.1460 0.108 Uiso 0.34(3) 1 calc R U P D 8
H59D H 0.3806 0.1759 0.0752 0.108 Uiso 0.34(3) 1 calc R U P D 8
C60B C 0.523(6) 0.334(5) 0.113(3) 0.090(3) Uani 0.34(3) 1 d . U P D 8
H60C H 0.5148 0.3557 0.0714 0.108 Uiso 0.34(3) 1 calc R U P D 8
H60D H 0.4929 0.3751 0.1431 0.108 Uiso 0.34(3) 1 calc R U P D 8
C61B C 0.6424(10) 0.3440(9) 0.1392(7) 0.090(3) Uani 0.34(3) 1 d . U P D 8
H61C H 0.6530 0.3373 0.1844 0.108 Uiso 0.34(3) 1 calc R U P D 8
H61D H 0.7004 0.4144 0.1369 0.108 Uiso 0.34(3) 1 calc R U P D 8
N1 N 0.1512(5) 0.3711(4) 0.3069(3) 0.0313(12) Uani 1 1 d . . . . .
O1 O 0.4617(6) 0.0770(5) -0.0875(3) 0.0507(14) Uani 1 1 d . . . . .
O2 O 0.7001(5) 0.0556(6) -0.0030(3) 0.0536(15) Uani 1 1 d . . . . .
O3 O 0.5403(5) 0.1680(5) 0.0768(3) 0.0463(13) Uani 1 1 d . . . . .
Na1 Na 0.5000 0.0000 0.0000 0.0331(8) Uani 1 2 d S . P D .
Si1 Si 0.05847(18) -0.08445(16) 0.25289(11) 0.0402(5) Uani 1 1 d . . . . .
Si2 Si -0.30315(18) 0.16124(18) 0.37282(11) 0.0437(5) Uani 1 1 d . . . . .
Si3 Si 0.62383(18) 0.61877(18) 0.33059(11) 0.0444(5) Uani 1 1 d . . . . .
Si4 Si 0.1983(2) 0.41161(19) 0.04062(10) 0.0471(5) Uani 1 1 d . . . . .
U1 U 0.05698(2) 0.23349(2) 0.33450(2) 0.02357(6) Uani 1 1 d . . . . .
U2 U 0.24582(2) 0.46629(2) 0.25322(2) 0.02487(6) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -4.3638 13.4090 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C2 C1 C8 136.5(6) . .
C2 C1 U1 75.4(4) . .
C8 C1 U1 78.9(4) . .
C2 C1 H1 111.7 . .
C8 C1 H1 111.7 . .
U1 C1 H1 126.9 . .
C1 C2 C3 134.5(7) . .
C1 C2 U1 74.9(4) . .
C3 C2 U1 74.8(4) . .
C1 C2 H2 112.7 . .
C3 C2 H2 112.7 . .
U1 C2 H2 132.6 . .
C4 C3 C2 136.0(7) . .
C4 C3 U1 75.0(4) . .
C2 C3 U1 74.9(4) . .
C4 C3 H3 112.0 . .
C2 C3 H3 112.0 . .
U1 C3 H3 133.9 . .
C3 C4 C5 136.6(7) . .
C3 C4 U1 75.0(4) . .
C5 C4 U1 77.1(4) . .
C3 C4 H4 111.7 . .
C5 C4 H4 111.7 . .
U1 C4 H4 130.7 . .
C4 C5 C6 129.6(6) . .
C4 C5 Si1 112.3(5) . .
C6 C5 Si1 117.4(5) . .
C4 C5 U1 72.8(4) . .
C6 C5 U1 74.8(3) . .
Si1 C5 U1 140.0(3) . .
C7 C6 C5 138.2(6) . .
C7 C6 U1 77.5(3) . .
C5 C6 U1 75.4(4) . .
C7 C6 H6 110.9 . .
C5 C6 H6 110.9 . .
U1 C6 H6 131.2 . .
C6 C7 C8 137.5(6) . .
C6 C7 U1 73.6(3) . .
C8 C7 U1 75.4(4) . .
C6 C7 H7 111.2 . .
C8 C7 H7 111.2 . .
U1 C7 H7 137.6 . .
C7 C8 C1 130.4(6) . .
C7 C8 Si2 117.0(5) . .
C1 C8 Si2 111.5(5) . .
C7 C8 U1 75.4(4) . .
C1 C8 U1 70.9(4) . .
Si2 C8 U1 144.4(3) . .
C14 C9 C10 106.8(7) . .
C14 C9 C57 126.8(9) . .
C10 C9 C57 125.5(8) . .
C14 C9 U1 74.1(4) . .
C10 C9 U1 77.5(4) . .
C57 C9 U1 122.7(5) . .
C11 C10 C9 108.3(7) . .
C11 C10 C16A 138.0(11) . .
C9 C10 C16A 113.1(11) . .
C11 C10 C16B 111.6(12) . .
C9 C10 C16B 139.0(12) . .
C11 C10 U1 74.2(4) . .
C9 C10 U1 73.0(4) . .
C16A C10 U1 124.7(8) . .
C16B C10 U1 126.7(9) . .
C10 C11 C13 107.7(7) . .
C10 C11 C17B 113.2(12) . .
C13 C11 C17B 137.3(12) . .
C10 C11 C17A 137.2(10) . .
C13 C11 C17A 114.0(10) . .
C10 C11 U1 77.2(4) . .
C13 C11 U1 73.2(4) . .
C17B C11 U1 127.3(9) . .
C17A C11 U1 123.5(8) . .
C13 C12 H12A 109.5 . .
C13 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C13 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 C11 108.2(7) . .
C14 C13 C12 126.2(8) . .
C11 C13 C12 125.4(8) . .
C14 C13 U1 75.4(4) . .
C11 C13 U1 77.4(4) . .
C12 C13 U1 117.5(5) . .
C13 C14 C9 109.0(7) . .
C13 C14 C15 125.8(7) . .
C9 C14 C15 124.7(7) . .
C13 C14 U1 75.2(4) . .
C9 C14 U1 76.5(4) . .
C15 C14 U1 121.4(4) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C10 C16A H16A 109.5 . .
C10 C16A H16B 109.5 . .
H16A C16A H16B 109.5 . .
C10 C16A H16C 109.5 . .
H16A C16A H16C 109.5 . .
H16B C16A H16C 109.5 . .
C11 C17A H17A 109.5 . .
C11 C17A H17B 109.5 . .
H17A C17A H17B 109.5 . .
C11 C17A H17C 109.5 . .
H17A C17A H17C 109.5 . .
H17B C17A H17C 109.5 . .
C10 C16B H16D 109.5 . .
C10 C16B H16E 109.5 . .
H16D C16B H16E 109.5 . .
C10 C16B H16F 109.5 . .
H16D C16B H16F 109.5 . .
H16E C16B H16F 109.5 . .
C11 C17B H17D 109.5 . .
C11 C17B H17E 109.5 . .
H17D C17B H17E 109.5 . .
C11 C17B H17F 109.5 . .
H17D C17B H17F 109.5 . .
H17E C17B H17F 109.5 . .
Si2 C18 H18A 109.5 . .
Si2 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si2 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
Si2 C19 H19A 109.5 . .
Si2 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si2 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
Si2 C20 H20A 109.5 . .
Si2 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
Si2 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Si1 C21 H21A 109.5 . .
Si1 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
Si1 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
Si1 C22 H22A 109.5 . .
Si1 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
Si1 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Si1 C23 H23A 109.5 . .
Si1 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
Si1 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C26 C25 C32 138.0(6) . .
C26 C25 U2 77.3(4) . .
C32 C25 U2 74.2(4) . .
C26 C25 H25 111.0 . .
C32 C25 H25 111.0 . .
U2 C25 H25 133.2 . .
C25 C26 C27 137.4(7) . .
C25 C26 U2 73.6(4) . .
C27 C26 U2 75.3(4) . .
C25 C26 H26 111.3 . .
C27 C26 H26 111.3 . .
U2 C26 H26 137.5 . .
C26 C27 C28 130.5(7) . .
C26 C27 Si4 117.7(5) . .
C28 C27 Si4 110.9(5) . .
C26 C27 U2 75.4(4) . .
C28 C27 U2 70.1(4) . .
Si4 C27 U2 144.8(3) . .
C29 C28 C27 135.2(7) . .
C29 C28 U2 76.1(4) . .
C27 C28 U2 79.7(4) . .
C29 C28 H28 112.4 . .
C27 C28 H28 112.4 . .
U2 C28 H28 123.2 . .
C30 C29 C28 136.0(7) . .
C30 C29 U2 76.0(4) . .
C28 C29 U2 73.7(4) . .
C30 C29 H29 112.0 . .
C28 C29 H29 112.0 . .
U2 C29 H29 134.2 . .
C29 C30 C31 136.2(7) . .
C29 C30 U2 74.7(4) . .
C31 C30 U2 74.0(4) . .
C29 C30 H30 111.9 . .
C31 C30 H30 111.9 . .
U2 C30 H30 136.3 . .
C30 C31 C32 135.1(7) . .
C30 C31 U2 75.8(4) . .
C32 C31 U2 76.1(4) . .
C30 C31 H31 112.4 . .
C32 C31 H31 112.4 . .
U2 C31 H31 129.6 . .
C25 C32 C31 130.5(7) . .
C25 C32 Si3 116.5(5) . .
C31 C32 Si3 112.3(5) . .
C25 C32 U2 76.0(4) . .
C31 C32 U2 73.6(4) . .
Si3 C32 U2 138.1(4) . .
Si4 C33 H33A 109.5 . .
Si4 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
Si4 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
Si4 C34 H34A 109.5 . .
Si4 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si4 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
Si4 C35 H35A 109.5 . .
Si4 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
Si4 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
Si3 C37A H37A 109.5 . .
Si3 C37A H37B 109.5 . .
H37A C37A H37B 109.5 . .
Si3 C37A H37C 109.5 . .
H37A C37A H37C 109.5 . .
H37B C37A H37C 109.5 . .
Si3 C36A H36A 109.5 . .
Si3 C36A H36B 109.5 . .
H36A C36A H36B 109.5 . .
Si3 C36A H36C 109.5 . .
H36A C36A H36C 109.5 . .
H36B C36A H36C 109.5 . .
Si3 C38A H38A 109.5 . .
Si3 C38A H38B 109.5 . .
H38A C38A H38B 109.5 . .
Si3 C38A H38C 109.5 . .
H38A C38A H38C 109.5 . .
H38B C38A H38C 109.5 . .
Si3 C37B H37D 109.5 . .
Si3 C37B H37E 109.5 . .
H37D C37B H37E 109.5 . .
Si3 C37B H37F 109.5 . .
H37D C37B H37F 109.5 . .
H37E C37B H37F 109.5 . .
Si3 C36B H36D 109.5 . .
Si3 C36B H36E 109.5 . .
H36D C36B H36E 109.5 . .
Si3 C36B H36F 109.5 . .
H36D C36B H36F 109.5 . .
H36E C36B H36F 109.5 . .
Si3 C38B H38D 109.5 . .
Si3 C38B H38E 109.5 . .
H38D C38B H38E 109.5 . .
Si3 C38B H38F 109.5 . .
H38D C38B H38F 109.5 . .
H38E C38B H38F 109.5 . .
C44 C39A H39A 109.5 . .
C44 C39A H39B 109.5 . .
H39A C39A H39B 109.5 . .
C44 C39A H39C 109.5 . .
H39A C39A H39C 109.5 . .
H39B C39A H39C 109.5 . .
C48 C43A H43A 109.5 . .
C48 C43A H43B 109.5 . .
H43A C43A H43B 109.5 . .
C48 C43A H43C 109.5 . .
H43A C43A H43C 109.5 . .
H43B C43A H43C 109.5 . .
C44 C39B H39D 109.5 . .
C44 C39B H39E 109.5 . .
H39D C39B H39E 109.5 . .
C44 C39B H39F 109.5 . .
H39D C39B H39F 109.5 . .
H39E C39B H39F 109.5 . .
C48 C43B H43D 109.5 . .
C48 C43B H43E 109.5 . .
H43D C43B H43E 109.5 . .
C48 C43B H43F 109.5 . .
H43D C43B H43F 109.5 . .
H43E C43B H43F 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 . .
C45 C44 C48 108.2(7) . .
C45 C44 C39A 109.7(13) . .
C48 C44 C39A 141.9(13) . .
C45 C44 C39B 134.3(11) . .
C48 C44 C39B 116.0(11) . .
C45 C44 U2 77.3(4) . .
C48 C44 U2 73.7(4) . .
C39A C44 U2 118.9(9) . .
C39B C44 U2 124.9(7) . .
C44 C45 C46 107.9(8) . .
C44 C45 C40 124.9(9) . .
C46 C45 C40 126.4(9) . .
C44 C45 U2 74.3(4) . .
C46 C45 U2 74.5(4) . .
C40 C45 U2 125.0(5) . .
C45 C46 C47 108.1(8) . .
C45 C46 C41 126.0(8) . .
C47 C46 C41 125.2(9) . .
C45 C46 U2 76.9(4) . .
C47 C46 U2 72.8(4) . .
C41 C46 U2 124.1(5) . .
C48 C47 C46 107.4(8) . .
C48 C47 C42 127.3(9) . .
C46 C47 C42 124.8(9) . .
C48 C47 U2 75.9(4) . .
C46 C47 U2 78.0(4) . .
C42 C47 U2 118.6(6) . .
C44 C48 C47 108.3(7) . .
C44 C48 C43B 135.5(11) . .
C47 C48 C43B 115.6(11) . .
C44 C48 C43A 112.1(14) . .
C47 C48 C43A 139.0(15) . .
C44 C48 U2 77.3(4) . .
C47 C48 U2 74.7(4) . .
C43B C48 U2 120.4(7) . .
C43A C48 U2 120.8(10) . .
O2 C49A C50A 106.9(12) . .
O2 C49A H49A 110.3 . .
C50A C49A H49A 110.3 . .
O2 C49A H49B 110.3 . .
C50A C49A H49B 110.3 . .
H49A C49A H49B 108.6 . .
C51 C50A C49A 101.5(9) . .
C51 C50A H50A 111.5 . .
C49A C50A H50A 111.5 . .
C51 C50A H50B 111.5 . .
C49A C50A H50B 111.5 . .
H50A C50A H50B 109.3 . .
O2 C49B H49C 110.3 . .
O2 C49B H49D 110.3 . .
H49C C49B H49D 108.6 . .
C50A C51 C52 105.2(8) . .
C50A C51 H51A 110.7 . .
C52 C51 H51A 110.7 . .
C50A C51 H51B 110.7 . .
C52 C51 H51B 110.7 . .
H51A C51 H51B 108.8 . .
O2 C52 C51 104.4(8) . .
O2 C52 H52A 110.9 . .
C51 C52 H52A 110.9 . .
O2 C52 H52B 110.9 . .
C51 C52 H52B 110.9 . .
H52A C52 H52B 108.9 . .
O1 C53A C54A 107.2(15) . .
O1 C53A H53A 110.3 . .
C54A C53A H53A 110.3 . .
O1 C53A H53B 110.3 . .
C54A C53A H53B 110.3 . .
H53A C53A H53B 108.5 . .
C55 C54A C53A 104.2(11) . .
C55 C54A H54A 110.9 . .
C53A C54A H54A 110.9 . .
C55 C54A H54B 110.9 . .
C53A C54A H54B 110.9 . .
H54A C54A H54B 108.9 . .
O1 C53B H53C 110.6 . .
O1 C53B H53D 110.6 . .
H53C C53B H53D 108.7 . .
C54A C55 C56 105.2(8) . .
C54A C55 H55A 110.7 . .
C56 C55 H55A 110.7 . .
C54A C55 H55B 110.7 . .
C56 C55 H55B 110.7 . .
H55A C55 H55B 108.8 . .
O1 C56 C55 107.1(8) . .
O1 C56 H56A 110.3 . .
C55 C56 H56A 110.3 . .
O1 C56 H56B 110.3 . .
C55 C56 H56B 110.3 . .
H56A C56 H56B 108.5 . .
C9 C57 H57A 109.5 . .
C9 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C9 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
O3 C58 C61A 106.7(8) . .
O3 C58 H58A 110.4 . .
C61A C58 H58A 110.4 . .
O3 C58 H58B 110.4 . .
C61A C58 H58B 110.4 . .
H58A C58 H58B 108.6 . .
O3 C59A C60A 105.8(14) . .
O3 C59A H59A 110.6 . .
C60A C59A H59A 110.6 . .
O3 C59A H59B 110.6 . .
C60A C59A H59B 110.6 . .
H59A C59A H59B 108.7 . .
C61A C60A C59A 106(2) . .
C61A C60A H60A 110.6 . .
C59A C60A H60A 110.6 . .
C61A C60A H60B 110.6 . .
C59A C60A H60B 110.6 . .
H60A C60A H60B 108.7 . .
C60A C61A C58 107.6(15) . .
C60A C61A H61A 110.2 . .
C58 C61A H61A 110.2 . .
C60A C61A H61B 110.2 . .
C58 C61A H61B 110.2 . .
H61A C61A H61B 108.5 . .
H60C C60B H60D 109.8 . .
U1 N1 U2 159.4(3) . .
C53A O1 C56 104.0(9) . .
C56 O1 C53B 108.5(16) . .
C53A O1 Na1 126.9(9) . .
C56 O1 Na1 129.1(5) . .
C53B O1 Na1 118.1(19) . .
C49A O2 C52 103.5(9) . .
C52 O2 C49B 109.3(14) . .
C49A O2 Na1 128.4(8) . .
C52 O2 Na1 127.6(5) . .
C49B O2 Na1 119.1(15) . .
C58 O3 C59A 108.6(7) . .
C58 O3 Na1 122.2(5) . .
C59A O3 Na1 129.0(6) . .
O2 Na1 O2 180.0 2_655 .
O2 Na1 O1 89.8(2) 2_655 .
O2 Na1 O1 90.2(2) . .
O2 Na1 O1 90.2(2) 2_655 2_655
O2 Na1 O1 89.8(2) . 2_655
O1 Na1 O1 180.0(2) . 2_655
O2 Na1 O3 90.5(2) 2_655 2_655
O2 Na1 O3 89.5(2) . 2_655
O1 Na1 O3 87.9(2) . 2_655
O1 Na1 O3 92.1(2) 2_655 2_655
O2 Na1 O3 89.5(2) 2_655 .
O2 Na1 O3 90.5(2) . .
O1 Na1 O3 92.1(2) . .
O1 Na1 O3 87.9(2) 2_655 .
O3 Na1 O3 180.0 2_655 .
C22 Si1 C5 115.1(4) . .
C22 Si1 C23 106.6(5) . .
C5 Si1 C23 105.5(4) . .
C22 Si1 C21 108.7(5) . .
C5 Si1 C21 111.7(4) . .
C23 Si1 C21 108.9(5) . .
C20 Si2 C18 108.2(5) . .
C20 Si2 C19 108.1(5) . .
C18 Si2 C19 105.8(5) . .
C20 Si2 C8 113.6(4) . .
C18 Si2 C8 107.8(4) . .
C19 Si2 C8 112.9(4) . .
C36B Si3 C37B 130.2(19) . .
C38A Si3 C37A 119.4(11) . .
C36B Si3 C32 111.6(9) . .
C38A Si3 C32 111.2(6) . .
C37B Si3 C32 111.9(16) . .
C37A Si3 C32 113.9(10) . .
C38A Si3 C36A 104.9(10) . .
C37A Si3 C36A 92.8(12) . .
C32 Si3 C36A 112.6(6) . .
C36B Si3 C38B 105.9(15) . .
C37B Si3 C38B 87.0(17) . .
C32 Si3 C38B 102.6(9) . .
C27 Si4 C34 106.0(4) . .
C27 Si4 C35 113.3(4) . .
C34 Si4 C35 107.9(6) . .
C27 Si4 C33 113.9(4) . .
C34 Si4 C33 106.5(6) . .
C35 Si4 C33 108.8(5) . .
N1 U1 C1 101.0(2) . .
N1 U1 C4 99.6(2) . .
C1 U1 C4 77.8(2) . .
N1 U1 C3 82.8(2) . .
C1 U1 C3 57.1(2) . .
C4 U1 C3 30.0(2) . .
N1 U1 C2 83.1(2) . .
C1 U1 C2 29.7(2) . .
C4 U1 C2 57.6(2) . .
C3 U1 C2 30.3(2) . .
N1 U1 C13 91.8(2) . .
C1 U1 C13 112.4(2) . .
C4 U1 C13 163.1(2) . .
C3 U1 C13 166.5(2) . .
C2 U1 C13 136.9(2) . .
N1 U1 C6 155.7(2) . .
C1 U1 C6 76.46(19) . .
C4 U1 C6 56.2(2) . .
C3 U1 C6 75.6(2) . .
C2 U1 C6 83.7(2) . .
C13 U1 C6 111.7(2) . .
N1 U1 C14 74.5(2) . .
C1 U1 C14 138.2(2) . .
C4 U1 C14 143.9(2) . .
C3 U1 C14 154.5(2) . .
C2 U1 C14 150.8(2) . .
C13 U1 C14 29.4(2) . .
C6 U1 C14 123.59(19) . .
N1 U1 C5 126.8(2) . .
C1 U1 C5 86.3(2) . .
C4 U1 C5 30.1(2) . .
C3 U1 C5 57.3(2) . .
C2 U1 C5 78.2(2) . .
C13 U1 C5 134.1(2) . .
C6 U1 C5 29.9(2) . .
C14 U1 C5 130.37(19) . .
N1 U1 C9 90.9(2) . .
C1 U1 C9 158.4(2) . .
C4 U1 C9 118.2(2) . .
C3 U1 C9 143.3(2) . .
C2 U1 C9 171.7(2) . .
C13 U1 C9 48.7(2) . .
C6 U1 C9 99.8(2) . .
C14 U1 C9 29.4(2) . .
C5 U1 C9 101.0(2) . .
N1 U1 C11 120.3(2) . .
C1 U1 C11 110.1(2) . .
C4 U1 C11 135.5(2) . .
C3 U1 C11 156.6(2) . .
C2 U1 C11 139.7(3) . .
C13 U1 C11 29.5(2) . .
C6 U1 C11 82.4(2) . .
C14 U1 C11 48.4(2) . .
C5 U1 C11 105.5(2) . .
C9 U1 C11 48.5(2) . .
N1 U1 C8 129.3(2) . .
C1 U1 C8 30.2(2) . .
C4 U1 C8 84.9(2) . .
C3 U1 C8 76.8(2) . .
C2 U1 C8 56.8(2) . .
C13 U1 C8 97.5(2) . .
C6 U1 C8 56.08(19) . .
C14 U1 C8 126.9(2) . .
C5 U1 C8 77.76(19) . .
C9 U1 C8 131.3(2) . .
C11 U1 C8 84.3(2) . .
N1 U2 C28 104.4(2) . .
N1 U2 C31 95.9(2) . .
C28 U2 C31 78.5(2) . .
N1 U2 C29 85.2(2) . .
C28 U2 C29 30.1(2) . .
C31 U2 C29 57.2(2) . .
N1 U2 C30 82.0(2) . .
C28 U2 C30 56.9(2) . .
C31 U2 C30 30.2(2) . .
C29 U2 C30 29.4(2) . .
N1 U2 C32 122.4(2) . .
C28 U2 C32 87.0(2) . .
C31 U2 C32 30.4(2) . .
C29 U2 C32 77.9(2) . .
C30 U2 C32 57.5(2) . .
N1 U2 C47 92.8(2) . .
C28 U2 C47 109.8(3) . .
C31 U2 C47 166.0(2) . .
C29 U2 C47 134.7(2) . .
C30 U2 C47 163.3(2) . .
C32 U2 C47 136.5(2) . .
N1 U2 C25 151.8(2) . .
C28 U2 C25 76.8(2) . .
C31 U2 C25 56.3(2) . .
C29 U2 C25 83.0(2) . .
C30 U2 C25 75.2(2) . .
C32 U2 C25 29.8(2) . .
C47 U2 C25 113.6(2) . .
N1 U2 C48 75.2(2) . .
C28 U2 C48 136.5(3) . .
C31 U2 C48 144.8(3) . .
C29 U2 C48 150.9(3) . .
C30 U2 C48 155.9(2) . .
C32 U2 C48 130.9(3) . .
C47 U2 C48 29.4(3) . .
C25 U2 C48 123.7(2) . .
N1 U2 C44 91.3(2) . .
C28 U2 C44 154.2(2) . .
C31 U2 C44 120.6(2) . .
C29 U2 C44 175.5(2) . .
C30 U2 C44 147.3(2) . .
C32 U2 C44 101.9(2) . .
C47 U2 C44 48.1(3) . .
C25 U2 C44 98.9(2) . .
C48 U2 C44 29.0(3) . .
N1 U2 C27 133.4(2) . .
C28 U2 C27 30.2(2) . .
C31 U2 C27 85.4(2) . .
C29 U2 C27 56.7(2) . .
C30 U2 C27 76.2(2) . .
C32 U2 C27 78.1(2) . .
C47 U2 C27 96.5(2) . .
C25 U2 C27 56.3(2) . .
C48 U2 C27 125.7(2) . .
C44 U2 C27 127.7(2) . .
N1 U2 C26 159.8(2) . .
C28 U2 C26 56.2(2) . .
C31 U2 C26 75.7(2) . .
C29 U2 C26 74.8(2) . .
C30 U2 C26 81.8(2) . .
C32 U2 C26 56.5(2) . .
C47 U2 C26 99.3(2) . .
C25 U2 C26 29.07(19) . .
C48 U2 C26 122.1(2) . .
C44 U2 C26 108.8(2) . .
C27 U2 C26 29.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.385(11) .
C1 C8 1.438(10) .
C1 U1 2.700(7) .
C1 H1 0.9500 .
C2 C3 1.414(11) .
C2 U1 2.707(7) .
C2 H2 0.9500 .
C3 C4 1.400(10) .
C3 U1 2.706(7) .
C3 H3 0.9500 .
C4 C5 1.420(9) .
C4 U1 2.706(7) .
C4 H4 0.9500 .
C5 C6 1.421(9) .
C5 Si1 1.872(7) .
C5 U1 2.762(6) .
C6 C7 1.391(9) .
C6 U1 2.755(6) .
C6 H6 0.9500 .
C7 C8 1.413(9) .
C7 U1 2.804(6) .
C7 H7 0.9500 .
C8 Si2 1.889(7) .
C8 U1 2.804(6) .
C9 C14 1.404(10) .
C9 C10 1.432(12) .
C9 C57 1.504(11) .
C9 U1 2.784(7) .
C10 C11 1.399(13) .
C10 C16A 1.53(2) .
C10 C16B 1.56(2) .
C10 U1 2.842(7) .
C11 C13 1.415(11) .
C11 C17B 1.48(2) .
C11 C17A 1.56(2) .
C11 U1 2.804(7) .
C12 C13 1.513(11) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.397(10) .
C13 U1 2.751(7) .
C14 C15 1.514(10) .
C14 U1 2.754(7) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16A H16A 0.9800 .
C16A H16B 0.9800 .
C16A H16C 0.9800 .
C17A H17A 0.9800 .
C17A H17B 0.9800 .
C17A H17C 0.9800 .
C16B H16D 0.9800 .
C16B H16E 0.9800 .
C16B H16F 0.9800 .
C17B H17D 0.9800 .
C17B H17E 0.9800 .
C17B H17F 0.9800 .
C18 Si2 1.872(9) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 Si2 1.883(11) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 Si2 1.846(9) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 Si1 1.881(9) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 Si1 1.854(10) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 Si1 1.871(9) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C25 C26 1.402(9) .
C25 C32 1.417(9) .
C25 U2 2.768(6) .
C25 H25 0.9500 .
C26 C27 1.424(10) .
C26 U2 2.815(7) .
C26 H26 0.9500 .
C27 C28 1.436(10) .
C27 Si4 1.867(8) .
C27 U2 2.813(7) .
C28 C29 1.405(10) .
C28 U2 2.689(7) .
C28 H28 0.9500 .
C29 C30 1.383(11) .
C29 U2 2.719(6) .
C29 H29 0.9500 .
C30 C31 1.421(11) .
C30 U2 2.735(6) .
C30 H30 0.9500 .
C31 C32 1.430(10) .
C31 U2 2.713(7) .
C31 H31 0.9500 .
C32 Si3 1.881(7) .
C32 U2 2.745(7) .
C33 Si4 1.878(10) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 Si4 1.871(10) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 Si4 1.875(10) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C37A Si3 1.86(3) .
C37A H37A 0.9800 .
C37A H37B 0.9800 .
C37A H37C 0.9800 .
C36A Si3 1.94(2) .
C36A H36A 0.9800 .
C36A H36B 0.9800 .
C36A H36C 0.9800 .
C38A Si3 1.810(19) .
C38A H38A 0.9800 .
C38A H38B 0.9800 .
C38A H38C 0.9800 .
C37B Si3 1.82(5) .
C37B H37D 0.9800 .
C37B H37E 0.9800 .
C37B H37F 0.9800 .
C36B Si3 1.70(3) .
C36B H36D 0.9800 .
C36B H36E 0.9800 .
C36B H36F 0.9800 .
C38B Si3 1.94(3) .
C38B H38D 0.9800 .
C38B H38E 0.9800 .
C38B H38F 0.9800 .
C39A C44 1.55(3) .
C39A H39A 0.9800 .
C39A H39B 0.9800 .
C39A H39C 0.9800 .
C43A C48 1.57(3) .
C43A H43A 0.9800 .
C43A H43B 0.9800 .
C43A H43C 0.9800 .
C39B C44 1.548(18) .
C39B H39D 0.9800 .
C39B H39E 0.9800 .
C39B H39F 0.9800 .
C43B C48 1.52(2) .
C43B H43D 0.9800 .
C43B H43E 0.9800 .
C43B H43F 0.9800 .
C40 C45 1.505(11) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 C46 1.517(11) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 C47 1.504(12) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C44 C45 1.392(12) .
C44 C48 1.399(13) .
C44 U2 2.814(7) .
C45 C46 1.403(11) .
C45 U2 2.851(7) .
C46 C47 1.406(11) .
C46 U2 2.820(7) .
C47 C48 1.400(13) .
C47 U2 2.754(7) .
C48 U2 2.769(7) .
C49A O2 1.392(16) .
C49A C50A 1.527(19) .
C49A H49A 0.9900 .
C49A H49B 0.9900 .
C50A C51 1.512(15) .
C50A H50A 0.9900 .
C50A H50B 0.9900 .
C49B O2 1.52(3) .
C49B H49C 0.9900 .
C49B H49D 0.9900 .
C51 C52 1.516(14) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 O2 1.427(10) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53A O1 1.396(19) .
C53A C54A 1.49(2) .
C53A H53A 0.9900 .
C53A H53B 0.9900 .
C54A C55 1.471(14) .
C54A H54A 0.9900 .
C54A H54B 0.9900 .
C53B O1 1.50(5) .
C53B H53C 0.9900 .
C53B H53D 0.9900 .
C55 C56 1.478(13) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 O1 1.429(10) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 O3 1.420(11) .
C58 C61A 1.486(13) .
C58 H58A 0.9900 .
C58 H58B 0.9900 .
C59A O3 1.422(12) .
C59A C60A 1.50(3) .
C59A H59A 0.9900 .
C59A H59B 0.9900 .
C60A C61A 1.38(3) .
C60A H60A 0.9900 .
C60A H60B 0.9900 .
C61A H61A 0.9900 .
C61A H61B 0.9900 .
C60B H60C 0.9900 .
C60B H60D 0.9900 .
N1 U1 2.063(5) .
N1 U2 2.066(5) .
O1 Na1 2.356(5) .
O2 Na1 2.347(5) .
O3 Na1 2.431(5) .
Na1 O2 2.347(5) 2_655
Na1 O1 2.356(5) 2_655
Na1 O3 2.431(5) 2_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
C8 C1 C2 C3 -6.0(16)
U1 C1 C2 C3 49.7(9)
C8 C1 C2 U1 -55.7(9)
C1 C2 C3 C4 -1.4(15)
U1 C2 C3 C4 48.3(8)
C1 C2 C3 U1 -49.7(9)
C2 C3 C4 C5 3.5(15)
U1 C3 C4 C5 51.7(8)
C2 C3 C4 U1 -48.3(8)
C3 C4 C5 C6 1.1(13)
U1 C4 C5 C6 52.2(7)
C3 C4 C5 Si1 171.3(7)
U1 C4 C5 Si1 -137.7(4)
C3 C4 C5 U1 -51.1(8)
C4 C5 C6 C7 -0.4(13)
Si1 C5 C6 C7 -170.1(6)
U1 C5 C6 C7 51.1(8)
C4 C5 C6 U1 -51.4(7)
Si1 C5 C6 U1 138.8(4)
C5 C6 C7 C8 -5.8(14)
U1 C6 C7 C8 44.6(8)
C5 C6 C7 U1 -50.4(8)
C6 C7 C8 C1 4.1(13)
U1 C7 C8 C1 48.3(7)
C6 C7 C8 Si2 171.7(6)
U1 C7 C8 Si2 -144.1(4)
C6 C7 C8 U1 -44.1(8)
C2 C1 C8 C7 4.7(14)
U1 C1 C8 C7 -49.8(7)
C2 C1 C8 Si2 -163.4(8)
U1 C1 C8 Si2 142.0(4)
C2 C1 C8 U1 54.6(9)
C14 C9 C10 C11 2.7(8)
C57 C9 C10 C11 172.2(7)
U1 C9 C10 C11 -66.3(5)
C14 C9 C10 C16A -169.9(9)
C57 C9 C10 C16A -0.3(13)
U1 C9 C10 C16A 121.1(9)
C14 C9 C10 C16B -164.0(14)
C57 C9 C10 C16B 5.6(19)
U1 C9 C10 C16B 127.0(15)
C14 C9 C10 U1 69.0(5)
C57 C9 C10 U1 -121.5(8)
C9 C10 C11 C13 -1.8(8)
C16A C10 C11 C13 168.0(13)
C16B C10 C11 C13 168.8(10)
U1 C10 C11 C13 -67.4(5)
C9 C10 C11 C17B -169.1(11)
C16A C10 C11 C17B 0.7(18)
C16B C10 C11 C17B 1.6(15)
U1 C10 C11 C17B 125.4(10)
C9 C10 C11 C17A -168.5(12)
C16A C10 C11 C17A 1(2)
C16B C10 C11 C17A 2.2(17)
U1 C10 C11 C17A 126.0(13)
C9 C10 C11 U1 65.6(5)
C16A C10 C11 U1 -124.7(14)
C16B C10 C11 U1 -123.8(10)
C10 C11 C13 C14 0.3(8)
C17B C11 C13 C14 162.9(14)
C17A C11 C13 C14 170.4(9)
U1 C11 C13 C14 -69.8(5)
C10 C11 C13 C12 -175.0(7)
C17B C11 C13 C12 -12.4(18)
C17A C11 C13 C12 -4.9(13)
U1 C11 C13 C12 114.9(7)
C10 C11 C13 U1 70.1(5)
C17B C11 C13 U1 -127.3(15)
C17A C11 C13 U1 -119.8(9)
C11 C13 C14 C9 1.4(8)
C12 C13 C14 C9 176.6(7)
U1 C13 C14 C9 -69.7(5)
C11 C13 C14 C15 -170.6(6)
C12 C13 C14 C15 4.7(12)
U1 C13 C14 C15 118.3(7)
C11 C13 C14 U1 71.1(5)
C12 C13 C14 U1 -113.6(7)
C10 C9 C14 C13 -2.5(8)
C57 C9 C14 C13 -171.9(7)
U1 C9 C14 C13 68.8(5)
C10 C9 C14 C15 169.6(7)
C57 C9 C14 C15 0.2(12)
U1 C9 C14 C15 -119.1(7)
C10 C9 C14 U1 -71.3(5)
C57 C9 C14 U1 119.3(8)
C32 C25 C26 C27 3.5(15)
U2 C25 C26 C27 -44.7(9)
C32 C25 C26 U2 48.3(8)
C25 C26 C27 C28 -2.6(14)
U2 C26 C27 C28 -46.9(7)
C25 C26 C27 Si4 -171.0(7)
U2 C26 C27 Si4 144.8(5)
C25 C26 C27 U2 44.2(8)
C26 C27 C28 C29 -9.5(14)
Si4 C27 C28 C29 159.5(7)
U2 C27 C28 C29 -58.1(8)
C26 C27 C28 U2 48.7(8)
Si4 C27 C28 U2 -142.4(4)
C27 C28 C29 C30 11.2(15)
U2 C28 C29 C30 -48.2(9)
C27 C28 C29 U2 59.4(8)
C28 C29 C30 C31 1.8(16)
U2 C29 C30 C31 -45.7(9)
C28 C29 C30 U2 47.6(9)
C29 C30 C31 C32 -6.7(15)
U2 C30 C31 C32 -52.7(8)
C29 C30 C31 U2 45.9(9)
C26 C25 C32 C31 4.2(14)
U2 C25 C32 C31 53.3(7)
C26 C25 C32 Si3 173.7(7)
U2 C25 C32 Si3 -137.1(5)
C26 C25 C32 U2 -49.1(8)
C30 C31 C32 C25 -1.7(14)
U2 C31 C32 C25 -54.2(7)
C30 C31 C32 Si3 -171.6(7)
U2 C31 C32 Si3 135.9(4)
C30 C31 C32 U2 52.5(8)
C48 C44 C45 C46 -0.4(8)
C39A C44 C45 C46 -176.1(10)
C39B C44 C45 C46 -165.8(11)
U2 C44 C45 C46 67.5(5)
C48 C44 C45 C40 170.1(7)
C39A C44 C45 C40 -5.6(13)
C39B C44 C45 C40 4.8(15)
U2 C44 C45 C40 -122.0(7)
C48 C44 C45 U2 -67.9(5)
C39A C44 C45 U2 116.4(10)
C39B C44 C45 U2 126.8(12)
C44 C45 C46 C47 -0.7(8)
C40 C45 C46 C47 -171.0(7)
U2 C45 C46 C47 66.7(5)
C44 C45 C46 C41 169.8(7)
C40 C45 C46 C41 -0.6(12)
U2 C45 C46 C41 -122.9(7)
C44 C45 C46 U2 -67.4(5)
C40 C45 C46 U2 122.3(8)
C45 C46 C47 C48 1.4(8)
C41 C46 C47 C48 -169.1(7)
U2 C46 C47 C48 70.9(5)
C45 C46 C47 C42 173.9(8)
C41 C46 C47 C42 3.4(12)
U2 C46 C47 C42 -116.7(8)
C45 C46 C47 U2 -69.4(5)
C41 C46 C47 U2 120.0(7)
C45 C44 C48 C47 1.3(8)
C39A C44 C48 C47 174.8(15)
C39B C44 C48 C47 169.7(8)
U2 C44 C48 C47 -69.0(5)
C45 C44 C48 C43B -169.2(11)
C39A C44 C48 C43B 4(2)
C39B C44 C48 C43B -0.8(15)
U2 C44 C48 C43B 120.6(12)
C45 C44 C48 C43A -171.4(11)
C39A C44 C48 C43A 2(2)
C39B C44 C48 C43A -3.0(13)
U2 C44 C48 C43A 118.3(11)
C45 C44 C48 U2 70.2(5)
C39A C44 C48 U2 -116.3(16)
C39B C44 C48 U2 -121.4(8)
C46 C47 C48 C44 -1.7(8)
C42 C47 C48 C44 -173.9(8)
U2 C47 C48 C44 70.7(5)
C46 C47 C48 C43B 170.9(8)
C42 C47 C48 C43B -1.3(13)
U2 C47 C48 C43B -116.7(8)
C46 C47 C48 C43A 168.0(15)
C42 C47 C48 C43A -4.2(19)
U2 C47 C48 C43A -119.7(16)
C46 C47 C48 U2 -72.4(5)
C42 C47 C48 U2 115.4(8)
O2 C49A C50A C51 26.0(18)
C49A C50A C51 C52 -0.2(15)
C50A C51 C52 O2 -24.6(12)
O1 C53A C54A C55 -24(3)
C53A C54A C55 C56 4(2)
C54A C55 C56 O1 17.5(12)
O3 C59A C60A C61A -23(2)
C59A C60A C61A C58 23(2)
O3 C58 C61A C60A -15(2)
C54A C53A O1 C56 35(3)
C54A C53A O1 C53B -69(5)
C54A C53A O1 Na1 -145.9(11)
C55 C56 O1 C53A -33(2)
C55 C56 O1 C53B -7(3)
C55 C56 O1 Na1 148.4(7)
C50A C49A O2 C52 -42.8(17)
C50A C49A O2 C49B 63(3)
C50A C49A O2 Na1 144.5(9)
C51 C52 O2 C49A 41.6(14)
C51 C52 O2 C49B 11(2)
C51 C52 O2 Na1 -145.6(7)
C61A C58 O3 C59A 0.0(14)
C61A C58 O3 Na1 175.2(8)
C60A C59A O3 C58 13.5(19)
C60A C59A O3 Na1 -161.3(14)
C4 C5 Si1 C22 175.7(6)
C6 C5 Si1 C22 -12.8(7)
U1 C5 Si1 C22 86.2(7)
C4 C5 Si1 C23 -67.1(6)
C6 C5 Si1 C23 104.4(6)
U1 C5 Si1 C23 -156.6(6)
C4 C5 Si1 C21 51.0(6)
C6 C5 Si1 C21 -137.5(6)
U1 C5 Si1 C21 -38.4(7)
C7 C8 Si2 C20 125.9(6)
C1 C8 Si2 C20 -64.2(7)
U1 C8 Si2 C20 22.8(8)
C7 C8 Si2 C18 -114.2(6)
C1 C8 Si2 C18 55.7(6)
U1 C8 Si2 C18 142.7(7)
C7 C8 Si2 C19 2.3(7)
C1 C8 Si2 C19 172.2(6)
U1 C8 Si2 C19 -100.8(7)
C25 C32 Si3 C36B 147.5(14)
C31 C32 Si3 C36B -41.1(14)
U2 C32 Si3 C36B 48.8(14)
C25 C32 Si3 C38A -130.7(10)
C31 C32 Si3 C38A 40.7(11)
U2 C32 Si3 C38A 130.6(10)
C25 C32 Si3 C37B -7.6(15)
C31 C32 Si3 C37B 163.8(15)
U2 C32 Si3 C37B -106.3(15)
C25 C32 Si3 C37A 7.7(11)
C31 C32 Si3 C37A 179.1(11)
U2 C32 Si3 C37A -91.0(11)
C25 C32 Si3 C36A 111.8(9)
C31 C32 Si3 C36A -76.8(9)
U2 C32 Si3 C36A 13.1(9)
C25 C32 Si3 C38B -99.5(12)
C31 C32 Si3 C38B 71.9(12)
U2 C32 Si3 C38B 161.8(12)
C26 C27 Si4 C34 110.9(7)
C28 C27 Si4 C34 -59.6(7)
U2 C27 Si4 C34 -144.5(7)
C26 C27 Si4 C35 -130.9(6)
C28 C27 Si4 C35 58.6(7)
U2 C27 Si4 C35 -26.3(8)
C26 C27 Si4 C33 -5.8(7)
C28 C27 Si4 C33 -176.4(6)
U2 C27 Si4 C33 98.7(7)
