#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/80/7118066.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_7118066
loop_
_publ_author_name
'Henry S. La Pierre'
'Michael Rosenzweig'
'Boris Kosog'
'Christina Hauser'
'Frank W. Heinemann'
'Stephen T. Liddle'
'Karsten Meyer'
_publ_section_title
;
 Charge control of the inverse trans-influence
;
_journal_name_full               Chem.Commun.
_journal_page_first              16671
_journal_paper_doi               10.1039/C5cc07211E
_journal_volume                  51
_journal_year                    2015
_chemical_absolute_configuration ad
_chemical_formula_moiety
; 
 2(C54 H87 N4 O3 Si U), C12 H30 Na O6, 3(C4 H10 O2), 3(F6 Sb)
;
_chemical_formula_sum            'C132 H234 F18 N8 Na O18 Sb3 Si2 U2'
_chemical_formula_weight         3483.75
_chemical_name_systematic
; 
 ? 
;
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-08-26 deposited with the CCDC.
2015-09-25 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   14.9276(14)
_cell_length_b                   14.9276(14)
_cell_length_c                   63.398(11)
_cell_measurement_reflns_used    9959
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.69
_cell_measurement_theta_min      2.25
_cell_volume                     12234(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_publication_material  'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_structure_refinement  'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_structure_solution    'SHELXTL 6.12 (Bruker AXS, 2002)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 83.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Quazar focussing montel optics'
_diffrn_radiation_source         'ImuS micro-focus tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0768
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       81
_diffrn_reflns_limit_l_min       -81
_diffrn_reflns_number            65892
_diffrn_reflns_theta_full        27.09
_diffrn_reflns_theta_max         27.09
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    2.563
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.619
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2008'
_exptl_crystal_colour            'violet brown'
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5292
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dimethoxyethane, n-hexane'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.783
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.094
_refine_ls_abs_structure_details
;
 Flack H D (1983), Acta Cryst. A39, 876-881
 6017 Friedel pairs used in the refinement of Flack parameter
;
_refine_ls_abs_structure_Flack   0.000(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         12037
_refine_ls_number_restraints     274
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0220P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0679
_refine_ls_wR_factor_ref         0.0734
_reflns_number_gt                10156
_reflns_number_total             12037
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc07211e2.cif
_cod_data_source_block           bk1014
_cod_original_sg_symbol_Hall     R3
_cod_original_sg_symbol_H-M      R3
_cod_database_code               7118066
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
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 0.3333 0.6667 0.278728(4) 0.02097(9) Uani 1 3 d S . .
Si1 Si 0.3333 0.6667 0.22096(5) 0.0533(10) Uani 1 3 d S . .
O1 O 0.2076(3) 0.6958(3) 0.27566(5) 0.0278(8) Uani 1 1 d . . .
N1 N 0.2097(3) 0.5830(3) 0.31100(6) 0.0191(9) Uani 1 1 d . . .
N2 N 0.3333 0.6667 0.24859(15) 0.035(3) Uani 1 3 d S . .
C1 C 0.2114(4) 0.6550(4) 0.32766(7) 0.0221(10) Uani 1 1 d . . .
H1A H 0.2425 0.6458 0.3407 0.026 Uiso 1 1 calc R . .
H1B H 0.1396 0.6374 0.3309 0.026 Uiso 1 1 calc R . .
C2 C 0.2723(4) 0.7664(4) 0.32076(8) 0.0211(11) Uani 1 1 d . . .
H2A H 0.2313 0.7806 0.3104 0.025 Uiso 1 1 calc R . .
H2B H 0.2855 0.8120 0.3331 0.025 Uiso 1 1 calc R . .
C3 C 0.1057(4) 0.5245(4) 0.30071(8) 0.0225(11) Uani 1 1 d . . .
H3A H 0.0582 0.4686 0.3103 0.027 Uiso 1 1 calc R . .
H3B H 0.1124 0.4915 0.2877 0.027 Uiso 1 1 calc R . .
C4 C 0.0581(4) 0.5895(4) 0.29504(8) 0.0241(11) Uani 1 1 d . . .
C5 C 0.1103(4) 0.6721(4) 0.28139(8) 0.0273(12) Uani 1 1 d . . .
C6 C 0.0629(4) 0.7295(4) 0.27460(9) 0.0338(13) Uani 1 1 d . . .
C7 C -0.0333(4) 0.7005(4) 0.28285(9) 0.0354(13) Uani 1 1 d . . .
H7A H -0.0669 0.7367 0.2782 0.042 Uiso 1 1 calc R . .
C8 C -0.0843(4) 0.6214(4) 0.29748(9) 0.0308(12) Uani 1 1 d . A .
C9 C -0.0375(4) 0.5652(4) 0.30333(8) 0.0277(11) Uani 1 1 d . . .
H9A H -0.0709 0.5097 0.3131 0.033 Uiso 1 1 calc R . .
C10 C 0.1138(6) 0.8183(6) 0.25795(11) 0.0493(18) Uani 1 1 d . . .
C11 C 0.0462(7) 0.8664(7) 0.25393(15) 0.090(3) Uani 1 1 d U . .
H11A H 0.0320 0.8897 0.2673 0.136 Uiso 1 1 calc R . .
H11B H -0.0192 0.8148 0.2475 0.136 Uiso 1 1 calc R . .
H11C H 0.0822 0.9255 0.2444 0.136 Uiso 1 1 calc R . .
C12 C 0.1236(8) 0.7705(7) 0.23732(12) 0.083(3) Uani 1 1 d . . .
H12A H 0.1736 0.7468 0.2392 0.124 Uiso 1 1 calc R . .
H12B H 0.1473 0.8224 0.2261 0.124 Uiso 1 1 calc R . .
H12C H 0.0561 0.7116 0.2335 0.124 Uiso 1 1 calc R . .
C13 C 0.2170(6) 0.9032(6) 0.26534(14) 0.069(3) Uani 1 1 d . . .
H13A H 0.2113 0.9209 0.2800 0.104 Uiso 1 1 calc R . .
H13B H 0.2393 0.9643 0.2564 0.104 Uiso 1 1 calc R . .
H13C H 0.2678 0.8800 0.2645 0.104 Uiso 1 1 calc R . .
C14 C -0.1914(5) 0.5948(6) 0.30641(12) 0.0410(17) Uani 1 1 d . . .
C15 C -0.2296(7) 0.5139(7) 0.32482(17) 0.049(3) Uani 0.768(9) 1 d PU A 1
H15A H -0.1805 0.5417 0.3366 0.073 Uiso 0.768(9) 1 calc PR A 1
H15B H -0.2344 0.4496 0.3198 0.073 Uiso 0.768(9) 1 calc PR A 1
H15C H -0.2978 0.5000 0.3296 0.073 Uiso 0.768(9) 1 calc PR A 1
C16 C -0.2738(6) 0.5446(8) 0.28828(15) 0.054(3) Uani 0.768(9) 1 d PU A 1
H16A H -0.3412 0.5319 0.2934 0.081 Uiso 0.768(9) 1 calc PR A 1
H16B H -0.2793 0.4790 0.2840 0.081 Uiso 0.768(9) 1 calc PR A 1
H16C H -0.2524 0.5917 0.2762 0.081 Uiso 0.768(9) 1 calc PR A 1
C17 C -0.1932(7) 0.6888(7) 0.31454(16) 0.046(2) Uani 0.768(9) 1 d PU A 1
H17A H -0.1404 0.7224 0.3255 0.069 Uiso 0.768(9) 1 calc PR A 1
H17B H -0.2615 0.6678 0.3205 0.069 Uiso 0.768(9) 1 calc PR A 1
H17C H -0.1790 0.7374 0.3029 0.069 Uiso 0.768(9) 1 calc PR A 1
C15A C -0.153(2) 0.635(2) 0.3312(5) 0.050(6) Uani 0.232(9) 1 d PU A 2
H15D H -0.0975 0.7072 0.3310 0.075 Uiso 0.232(9) 1 calc PR A 2
H15E H -0.1286 0.5919 0.3377 0.075 Uiso 0.232(9) 1 calc PR A 2
H15F H -0.2120 0.6292 0.3393 0.075 Uiso 0.232(9) 1 calc PR A 2
C16A C -0.251(2) 0.503(3) 0.3075(7) 0.057(7) Uani 0.232(9) 1 d PU A 2
H16D H -0.3159 0.4906 0.3140 0.086 Uiso 0.232(9) 1 calc PR A 2
H16E H -0.2208 0.4700 0.3160 0.086 Uiso 0.232(9) 1 calc PR A 2
H16F H -0.2655 0.4730 0.2932 0.086 Uiso 0.232(9) 1 calc PR A 2
C17A C -0.218(2) 0.677(2) 0.2982(5) 0.045(7) Uani 0.232(9) 1 d PU A 2
H17D H -0.1655 0.7457 0.3031 0.068 Uiso 0.232(9) 1 calc PR A 2
H17E H -0.2860 0.6610 0.3036 0.068 Uiso 0.232(9) 1 calc PR A 2
H17F H -0.2194 0.6758 0.2827 0.068 Uiso 0.232(9) 1 calc PR A 2
C18 C 0.3784(6) 0.8014(7) 0.21189(12) 0.068(2) Uani 1 1 d . . .
H18A H 0.3311 0.8240 0.2171 0.102 Uiso 1 1 calc R . .
H18B H 0.3798 0.8035 0.1964 0.102 Uiso 1 1 calc R . .
H18C H 0.4481 0.8476 0.2174 0.102 Uiso 1 1 calc R . .
U2 U -0.3333 0.3333 0.465906(4) 0.02129(9) Uani 1 3 d S . .
Si2 Si -0.3333 0.3333 0.52376(5) 0.0540(10) Uani 1 3 d S . .
O2 O -0.2077(3) 0.4881(3) 0.46889(5) 0.0289(8) Uani 1 1 d . . .
N3 N -0.2097(3) 0.3735(3) 0.43358(6) 0.0191(9) Uani 1 1 d . . .
N4 N -0.3333 0.3333 0.49615(15) 0.039(3) Uani 1 3 d S . .
C19 C -0.2115(4) 0.4438(4) 0.41697(7) 0.0218(10) Uani 1 1 d . . .
H19A H -0.2432 0.4034 0.4040 0.026 Uiso 1 1 calc R . .
H19B H -0.1397 0.4976 0.4136 0.026 Uiso 1 1 calc R . .
C20 C -0.2719(4) 0.4955(4) 0.42397(8) 0.0211(11) Uani 1 1 d . . .
H20A H -0.2310 0.5500 0.4345 0.025 Uiso 1 1 calc R . .
H20B H -0.2847 0.5285 0.4117 0.025 Uiso 1 1 calc R . .
C21 C -0.1057(4) 0.4180(4) 0.44399(8) 0.0236(11) Uani 1 1 d . . .
H21A H -0.0582 0.4092 0.4344 0.028 Uiso 1 1 calc R . .
H21B H -0.1130 0.3785 0.4571 0.028 Uiso 1 1 calc R . .
C22 C -0.0585(4) 0.5310(4) 0.44946(8) 0.0233(11) Uani 1 1 d . . .
C23 C -0.1105(4) 0.5616(4) 0.46317(8) 0.0291(12) Uani 1 1 d . . .
C24 C -0.0630(5) 0.6663(4) 0.47001(9) 0.0339(13) Uani 1 1 d . . .
C25 C 0.0332(4) 0.7334(4) 0.46169(9) 0.0366(14) Uani 1 1 d . . .
H25A H 0.0667 0.8032 0.4664 0.044 Uiso 1 1 calc R . .
C26 C 0.0846(4) 0.7065(4) 0.44698(9) 0.0305(12) Uani 1 1 d . B .
C27 C 0.0372(4) 0.6027(4) 0.44113(8) 0.0263(11) Uani 1 1 d . . .
H27A H 0.0706 0.5807 0.4314 0.032 Uiso 1 1 calc R . .
C28 C -0.1142(6) 0.7040(6) 0.48671(11) 0.0499(18) Uani 1 1 d . . .
C29 C -0.0457(7) 0.8200(6) 0.49072(15) 0.091(3) Uani 1 1 d U . .
H29A H -0.0801 0.8430 0.5007 0.136 Uiso 1 1 calc R . .
H29B H -0.0339 0.8577 0.4774 0.136 Uiso 1 1 calc R . .
H29C H 0.0207 0.8337 0.4966 0.136 Uiso 1 1 calc R . .
C30 C -0.1227(8) 0.6481(8) 0.50737(12) 0.081(3) Uani 1 1 d . . .
H30A H -0.1482 0.6753 0.5185 0.122 Uiso 1 1 calc R . .
H30B H -0.0544 0.6592 0.5113 0.122 Uiso 1 1 calc R . .
H30C H -0.1708 0.5739 0.5056 0.122 Uiso 1 1 calc R . .
C31 C -0.2167(6) 0.6849(7) 0.47946(14) 0.069(3) Uani 1 1 d . . .
H31A H -0.2411 0.7203 0.4889 0.103 Uiso 1 1 calc R . .
H31B H -0.2661 0.6104 0.4796 0.103 Uiso 1 1 calc R . .
H31C H -0.2107 0.7113 0.4651 0.103 Uiso 1 1 calc R . .
C32 C 0.1900(5) 0.7865(5) 0.43796(12) 0.0440(17) Uani 1 1 d . . .
C33 C 0.2292(7) 0.7428(7) 0.41996(17) 0.053(3) Uani 0.767(9) 1 d PU B 1
H33A H 0.1806 0.7204 0.4081 0.079 Uiso 0.767(9) 1 calc PR B 1
H33B H 0.2341 0.6838 0.4253 0.079 Uiso 0.767(9) 1 calc PR B 1
H33C H 0.2976 0.7970 0.4152 0.079 Uiso 0.767(9) 1 calc PR B 1
C34 C 0.1930(7) 0.8816(6) 0.43008(16) 0.049(2) Uani 0.767(9) 1 d PU B 1
H34A H 0.1387 0.8629 0.4195 0.073 Uiso 0.767(9) 1 calc PR B 1
H34B H 0.2607 0.9273 0.4237 0.073 Uiso 0.767(9) 1 calc PR B 1
H34C H 0.1817 0.9173 0.4419 0.073 Uiso 0.767(9) 1 calc PR B 1
C35 C 0.2734(6) 0.8186(8) 0.45647(16) 0.055(3) Uani 0.767(9) 1 d PU B 1
H35A H 0.2514 0.8432 0.4687 0.082 Uiso 0.767(9) 1 calc PR B 1
H35B H 0.3407 0.8738 0.4515 0.082 Uiso 0.767(9) 1 calc PR B 1
H35C H 0.2792 0.7584 0.4606 0.082 Uiso 0.767(9) 1 calc PR B 1
C33A C 0.155(3) 0.789(2) 0.4138(5) 0.052(7) Uani 0.233(9) 1 d PU B 2
H33D H 0.1216 0.8308 0.4130 0.078 Uiso 0.233(9) 1 calc PR B 2
H33E H 0.1070 0.7184 0.4091 0.078 Uiso 0.233(9) 1 calc PR B 2
H33F H 0.2165 0.8194 0.4047 0.078 Uiso 0.233(9) 1 calc PR B 2
C34A C 0.220(3) 0.895(2) 0.4464(5) 0.059(8) Uani 0.233(9) 1 d PU B 2
H34D H 0.1681 0.9133 0.4418 0.089 Uiso 0.233(9) 1 calc PR B 2
H34E H 0.2878 0.9463 0.4409 0.089 Uiso 0.233(9) 1 calc PR B 2
H34F H 0.2221 0.8949 0.4619 0.089 Uiso 0.233(9) 1 calc PR B 2
C35A C 0.260(2) 0.759(3) 0.4459(7) 0.069(8) Uani 0.233(9) 1 d PU B 2
H35D H 0.3284 0.8212 0.4475 0.103 Uiso 0.233(9) 1 calc PR B 2
H35E H 0.2657 0.7111 0.4361 0.103 Uiso 0.233(9) 1 calc PR B 2
H35F H 0.2363 0.7254 0.4596 0.103 Uiso 0.233(9) 1 calc PR B 2
C36 C -0.4235(7) 0.1991(7) 0.53283(12) 0.073(3) Uani 1 1 d . . .
H36A H -0.4929 0.1762 0.5273 0.109 Uiso 1 1 calc R . .
H36B H -0.4258 0.1974 0.5483 0.109 Uiso 1 1 calc R . .
H36C H -0.3993 0.1529 0.5277 0.109 Uiso 1 1 calc R . .
Sb1 Sb 0.89931(3) 0.23268(3) 0.038967(6) 0.02732(9) Uani 1 1 d . . .
F11 F 0.9733(4) 0.1638(4) 0.04108(5) 0.0672(13) Uani 1 1 d . C .
F12 F 0.8299(4) 0.3067(4) 0.03686(6) 0.0680(13) Uani 1 1 d . C .
F13 F 1.0277(10) 0.3473(11) 0.0434(3) 0.073(4) Uani 0.528(19) 1 d PU C 1
F14 F 0.8706(14) 0.2165(13) 0.0671(2) 0.057(4) Uani 0.528(19) 1 d PU C 1
F15 F 0.7708(9) 0.1181(9) 0.0331(3) 0.081(4) Uani 0.528(19) 1 d PU C 1
F16 F 0.9296(15) 0.2505(17) 0.0094(3) 0.070(5) Uani 0.528(19) 1 d PU C 1
F13A F 1.0122(13) 0.3607(12) 0.0334(3) 0.071(4) Uani 0.472(19) 1 d PU C 2
F14A F 0.9189(16) 0.2636(15) 0.0687(3) 0.057(4) Uani 0.472(19) 1 d PU C 2
F15A F 0.7906(11) 0.1043(11) 0.0463(3) 0.087(5) Uani 0.472(19) 1 d PU C 2
F16A F 0.8819(14) 0.2031(15) 0.0112(3) 0.053(4) Uani 0.472(19) 1 d PU C 2
Na1 Na 0.0000 1.0000 0.37216(11) 0.0453(9) Uani 1 3 d S . .
C101 C -0.0948(7) 0.8107(7) 0.41060(14) 0.078(3) Uani 1 1 d D . .
H10A H -0.0811 0.7626 0.4186 0.117 Uiso 1 1 calc R . .
H10B H -0.1667 0.7747 0.4057 0.117 Uiso 1 1 calc R . .
H10C H -0.0832 0.8686 0.4197 0.117 Uiso 1 1 calc R . .
O102 O -0.0283(4) 0.8483(4) 0.39326(8) 0.0613(13) Uani 1 1 d D . .
C103 C -0.0419(7) 0.7629(6) 0.38097(13) 0.075(2) Uani 1 1 d D . .
H10D H -0.1119 0.7273 0.3746 0.090 Uiso 1 1 calc R . .
H10E H -0.0343 0.7128 0.3899 0.090 Uiso 1 1 calc R . .
C104 C 0.0400(7) 0.8043(6) 0.36378(13) 0.073(2) Uani 1 1 d D . .
H10F H 0.1098 0.8382 0.3702 0.087 Uiso 1 1 calc R . .
H10G H 0.0325 0.7466 0.3548 0.087 Uiso 1 1 calc R . .
O105 O 0.0284(4) 0.8767(4) 0.35129(8) 0.0606(13) Uani 1 1 d D . .
C106 C 0.0949(6) 0.9061(7) 0.33346(14) 0.071(3) Uani 1 1 d D . .
H10H H 0.0796 0.8444 0.3253 0.107 Uiso 1 1 calc R . .
H10I H 0.1670 0.9404 0.3382 0.107 Uiso 1 1 calc R . .
H10J H 0.0840 0.9538 0.3246 0.107 Uiso 1 1 calc R . .
C201 C 0.5557(17) 0.4763(18) 0.2454(3) 0.159(6) Uani 0.698(8) 1 d PDU D 1
H20C H 0.5645 0.4669 0.2604 0.238 Uiso 0.698(8) 1 calc PR D 1
H20D H 0.5084 0.5034 0.2438 0.238 Uiso 0.698(8) 1 calc PR D 1
H20E H 0.6230 0.5252 0.2393 0.238 Uiso 0.698(8) 1 calc PR D 1
O202 O 0.5174(15) 0.3871(15) 0.2357(3) 0.205(5) Uani 0.698(8) 1 d PDU D 1
C203 C 0.512(2) 0.393(2) 0.2125(3) 0.206(5) Uani 0.698(8) 1 d PDU D 1
H20F H 0.5824 0.4361 0.2069 0.247 Uiso 0.698(8) 1 calc PR D 1
H20G H 0.4716 0.4275 0.2090 0.247 Uiso 0.698(8) 1 calc PR D 1
C204 C 0.459(2) 0.282(2) 0.2012(4) 0.205(5) Uani 0.698(8) 1 d PDU D 1
H20H H 0.4944 0.2454 0.2063 0.246 Uiso 0.698(8) 1 calc PR D 1
H20I H 0.3864 0.2424 0.2062 0.246 Uiso 0.698(8) 1 calc PR D 1
O205 O 0.4561(17) 0.2756(17) 0.1786(3) 0.210(5) Uani 0.698(8) 1 d PDU D 1
C206 C 0.404(2) 0.1859(19) 0.1669(4) 0.175(6) Uani 0.698(8) 1 d PDU D 1
H20J H 0.4243 0.2010 0.1521 0.263 Uiso 0.698(8) 1 calc PR D 1
H20K H 0.3297 0.1577 0.1683 0.263 Uiso 0.698(8) 1 calc PR D 1
H20L H 0.4227 0.1352 0.1722 0.263 Uiso 0.698(8) 1 calc PR D 1
C211 C 0.635(4) 0.512(5) 0.2165(7) 0.209(9) Uani 0.302(8) 1 d PDU D 2
H21C H 0.6689 0.5586 0.2284 0.313 Uiso 0.302(8) 1 calc PR D 2
H21D H 0.6144 0.4408 0.2207 0.313 Uiso 0.302(8) 1 calc PR D 2
H21E H 0.5744 0.5155 0.2122 0.313 Uiso 0.302(8) 1 calc PR D 2
O212 O 0.703(3) 0.540(3) 0.2001(7) 0.210(6) Uani 0.302(8) 1 d PDU D 2
C213 C 0.658(4) 0.520(3) 0.1794(7) 0.210(6) Uani 0.302(8) 1 d PDU D 2
H21F H 0.7107 0.5679 0.1692 0.252 Uiso 0.302(8) 1 calc PR D 2
H21G H 0.5998 0.5333 0.1793 0.252 Uiso 0.302(8) 1 calc PR D 2
C214 C 0.619(3) 0.406(3) 0.1720(8) 0.211(6) Uani 0.302(8) 1 d PDU D 2
H21H H 0.6473 0.4083 0.1578 0.253 Uiso 0.302(8) 1 calc PR D 2
H21I H 0.6475 0.3745 0.1817 0.253 Uiso 0.302(8) 1 calc PR D 2
O215 O 0.509(3) 0.338(3) 0.1711(7) 0.211(5) Uani 0.302(8) 1 d PDU D 2
C216 C 0.456(4) 0.234(4) 0.1651(12) 0.193(6) Uani 0.302(8) 1 d PDU D 2
H21J H 0.4272 0.1904 0.1777 0.290 Uiso 0.302(8) 1 calc PR D 2
H21K H 0.5047 0.2167 0.1582 0.290 Uiso 0.302(8) 1 calc PR D 2
H21L H 0.4004 0.2210 0.1553 0.290 Uiso 0.302(8) 1 calc PR D 2
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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
N2 U1 O1 84.77(9) . .
N2 U1 O1 84.77(9) . 3_565
O1 U1 O1 119.18(3) . 3_565
N2 U1 O1 84.77(9) . 2_665
O1 U1 O1 119.18(3) . 2_665
O1 U1 O1 119.18(3) 3_565 2_665
N2 U1 N1 141.43(9) . 3_565
O1 U1 N1 80.87(13) . 3_565
O1 U1 N1 71.74(13) 3_565 3_565
O1 U1 N1 133.29(13) 2_665 3_565
N2 U1 N1 141.43(9) . .
O1 U1 N1 71.74(13) . .
O1 U1 N1 133.29(13) 3_565 .
O1 U1 N1 80.87(13) 2_665 .
N1 U1 N1 65.36(14) 3_565 .
N2 U1 N1 141.43(9) . 2_665
O1 U1 N1 133.29(13) . 2_665
O1 U1 N1 80.87(13) 3_565 2_665
O1 U1 N1 71.74(12) 2_665 2_665
N1 U1 N1 65.36(14) 3_565 2_665
N1 U1 N1 65.36(14) . 2_665
N2 Si1 C18 108.0(3) . .
N2 Si1 C18 108.0(3) . 2_665
C18 Si1 C18 110.9(3) . 2_665
N2 Si1 C18 108.0(3) . 3_565
C18 Si1 C18 110.9(3) . 3_565
C18 Si1 C18 110.9(3) 2_665 3_565
C5 O1 U1 148.7(3) . .
C3 N1 C1 111.5(4) . .
C3 N1 C2 107.9(4) . 2_665
C1 N1 C2 109.6(4) . 2_665
C3 N1 U1 102.4(3) . .
C1 N1 U1 117.0(3) . .
C2 N1 U1 107.9(3) 2_665 .
Si1 N2 U1 180.000(1) . .
N1 C1 C2 111.8(4) . .
N1 C1 H1A 109.3 . .
C2 C1 H1A 109.3 . .
N1 C1 H1B 109.3 . .
C2 C1 H1B 109.3 . .
H1A C1 H1B 107.9 . .
N1 C2 C1 111.3(4) 3_565 .
N1 C2 H2A 109.4 3_565 .
C1 C2 H2A 109.4 . .
N1 C2 H2B 109.4 3_565 .
C1 C2 H2B 109.4 . .
H2A C2 H2B 108.0 . .
N1 C3 C4 114.5(4) . .
N1 C3 H3A 108.6 . .
C4 C3 H3A 108.6 . .
N1 C3 H3B 108.6 . .
C4 C3 H3B 108.6 . .
H3A C3 H3B 107.6 . .
C5 C4 C9 121.1(5) . .
C5 C4 C3 119.1(5) . .
C9 C4 C3 119.8(4) . .
O1 C5 C4 116.8(4) . .
O1 C5 C6 123.3(5) . .
C4 C5 C6 119.9(5) . .
C7 C6 C5 116.7(5) . .
C7 C6 C10 120.7(5) . .
C5 C6 C10 122.6(5) . .
C6 C7 C8 124.1(5) . .
C6 C7 H7A 117.9 . .
C8 C7 H7A 117.9 . .
C9 C8 C7 117.7(5) . .
C9 C8 C14 121.1(5) . .
C7 C8 C14 121.2(5) . .
C8 C9 C4 120.3(5) . .
C8 C9 H9A 119.8 . .
C4 C9 H9A 119.8 . .
C13 C10 C11 107.2(7) . .
C13 C10 C12 111.4(7) . .
C11 C10 C12 108.5(6) . .
C13 C10 C6 111.4(5) . .
C11 C10 C6 110.9(6) . .
C12 C10 C6 107.5(6) . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C10 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C10 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C16A C14 C17 133.7(17) . .
C16A C14 C8 113.1(16) . .
C17 C14 C8 112.5(6) . .
C16A C14 C17A 125(2) . .
C8 C14 C17A 108.3(12) . .
C17 C14 C15 107.0(7) . .
C8 C14 C15 113.6(6) . .
C17A C14 C15 135.9(12) . .
C17 C14 C16 108.6(6) . .
C8 C14 C16 108.5(6) . .
C17A C14 C16 71.5(13) . .
C15 C14 C16 106.3(7) . .
C16A C14 C15A 106(2) . .
C17 C14 C15A 60.5(10) . .
C8 C14 C15A 97.4(11) . .
C17A C14 C15A 101.9(16) . .
C15 C14 C15A 60.3(11) . .
C16 C14 C15A 154.0(12) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
C14 C17 H17A 109.5 . .
C14 C17 H17B 109.5 . .
C14 C17 H17C 109.5 . .
C14 C15A H15D 109.5 . .
C14 C15A H15E 109.5 . .
H15D C15A H15E 109.5 . .
C14 C15A H15F 109.5 . .
H15D C15A H15F 109.5 . .
H15E C15A H15F 109.5 . .
C14 C16A H16D 109.5 . .
C14 C16A H16E 109.5 . .
H16D C16A H16E 109.5 . .
C14 C16A H16F 109.5 . .
H16D C16A H16F 109.5 . .
H16E C16A H16F 109.5 . .
C14 C17A H17D 109.5 . .
C14 C17A H17E 109.5 . .
H17D C17A H17E 109.5 . .
C14 C17A H17F 109.5 . .
H17D C17A H17F 109.5 . .
H17E C17A H17F 109.5 . .
Si1 C18 H18A 109.5 . .
Si1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N4 U2 O2 84.91(9) . 3_455
N4 U2 O2 84.91(9) . .
O2 U2 O2 119.22(3) 3_455 .
N4 U2 O2 84.91(9) . 2_565
O2 U2 O2 119.22(3) 3_455 2_565
O2 U2 O2 119.22(3) . 2_565
N4 U2 N3 141.50(9) . .
O2 U2 N3 80.85(13) 3_455 .
O2 U2 N3 71.60(13) . .
O2 U2 N3 133.07(13) 2_565 .
N4 U2 N3 141.50(9) . 3_455
O2 U2 N3 71.60(13) 3_455 3_455
O2 U2 N3 133.07(13) . 3_455
O2 U2 N3 80.85(13) 2_565 3_455
N3 U2 N3 65.25(14) . 3_455
N4 U2 N3 141.50(9) . 2_565
O2 U2 N3 133.07(13) 3_455 2_565
O2 U2 N3 80.85(13) . 2_565
O2 U2 N3 71.60(12) 2_565 2_565
N3 U2 N3 65.25(14) . 2_565
N3 U2 N3 65.25(14) 3_455 2_565
N4 Si2 C36 108.0(3) . 2_565
N4 Si2 C36 108.0(3) . .
C36 Si2 C36 110.9(3) 2_565 .
N4 Si2 C36 108.0(3) . 3_455
C36 Si2 C36 110.9(3) 2_565 3_455
C36 Si2 C36 110.9(3) . 3_455
C23 O2 U2 148.8(3) . .
C19 N3 C21 112.1(4) . .
C19 N3 C20 110.3(4) . 3_455
C21 N3 C20 106.7(4) . 3_455
C19 N3 U2 117.0(3) . .
C21 N3 U2 102.2(3) . .
C20 N3 U2 107.8(3) 3_455 .
Si2 N4 U2 180.0 . .
N3 C19 C20 112.0(4) . .
N3 C19 H19A 109.2 . .
C20 C19 H19A 109.2 . .
N3 C19 H19B 109.2 . .
C20 C19 H19B 109.2 . .
H19A C19 H19B 107.9 . .
N3 C20 C19 110.1(4) 2_565 .
N3 C20 H20A 109.6 2_565 .
C19 C20 H20A 109.6 . .
N3 C20 H20B 109.6 2_565 .
C19 C20 H20B 109.6 . .
H20A C20 H20B 108.1 . .
N3 C21 C22 113.4(4) . .
N3 C21 H21A 108.9 . .
C22 C21 H21A 108.9 . .
N3 C21 H21B 108.9 . .
C22 C21 H21B 108.9 . .
H21A C21 H21B 107.7 . .
C23 C22 C27 120.9(5) . .
C23 C22 C21 119.2(5) . .
C27 C22 C21 119.9(4) . .
O2 C23 C22 116.7(4) . .
O2 C23 C24 123.3(5) . .
C22 C23 C24 120.0(5) . .
C25 C24 C23 116.5(5) . .
C25 C24 C28 121.0(5) . .
C23 C24 C28 122.4(5) . .
C24 C25 C26 124.9(5) . .
C24 C25 H25A 117.6 . .
C26 C25 H25A 117.6 . .
C25 C26 C27 116.9(5) . .
C25 C26 C32 121.7(5) . .
C27 C26 C32 121.3(5) . .
C22 C27 C26 120.6(5) . .
C22 C27 H27A 119.7 . .
C26 C27 H27A 119.7 . .
C31 C28 C30 111.5(7) . .
C31 C28 C29 108.1(7) . .
C30 C28 C29 107.6(7) . .
C31 C28 C24 111.3(5) . .
C30 C28 C24 107.8(6) . .
C29 C28 C24 110.5(6) . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C28 C31 H31A 109.5 . .
C28 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C28 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C35A C32 C34 137.2(15) . .
C35A C32 C26 105.4(14) . .
C34 C32 C26 113.5(6) . .
C35A C32 C34A 109(2) . .
C26 C32 C34A 109.4(14) . .
C35A C32 C33 69.3(18) . .
C34 C32 C33 108.3(7) . .
C26 C32 C33 113.5(6) . .
C34A C32 C33 135.9(14) . .
C34 C32 C35 108.3(7) . .
C26 C32 C35 107.5(6) . .
C34A C32 C35 70.1(14) . .
C33 C32 C35 105.2(7) . .
C35A C32 C33A 130(2) . .
C34 C32 C33A 61.2(10) . .
C26 C32 C33A 98.9(11) . .
C34A C32 C33A 103.3(17) . .
C33 C32 C33A 60.8(12) . .
C35 C32 C33A 153.5(12) . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
C32 C34 H34A 109.5 . .
C32 C34 H34B 109.5 . .
C32 C34 H34C 109.5 . .
C32 C35 H35A 109.5 . .
C32 C35 H35B 109.5 . .
C32 C35 H35C 109.5 . .
C32 C33A H33D 109.5 . .
C32 C33A H33E 109.5 . .
H33D C33A H33E 109.5 . .
C32 C33A H33F 109.5 . .
H33D C33A H33F 109.5 . .
H33E C33A H33F 109.5 . .
C32 C34A H34D 109.5 . .
C32 C34A H34E 109.5 . .
H34D C34A H34E 109.5 . .
C32 C34A H34F 109.5 . .
H34D C34A H34F 109.5 . .
H34E C34A H34F 109.5 . .
C32 C35A H35D 109.5 . .
C32 C35A H35E 109.5 . .
H35D C35A H35E 109.5 . .
C32 C35A H35F 109.5 . .
H35D C35A H35F 109.5 . .
H35E C35A H35F 109.5 . .
Si2 C36 H36A 109.5 . .
Si2 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
Si2 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
F16A Sb1 F14 158.2(5) . .
F16A Sb1 F13A 90.7(7) . .
F14 Sb1 F13A 110.9(6) . .
F16A Sb1 F13 109.4(6) . .
F14 Sb1 F13 92.3(6) . .
F13A Sb1 F13 23.1(4) . .
F16A Sb1 F15A 92.6(7) . .
F14 Sb1 F15A 65.9(6) . .
F13A Sb1 F15A 176.0(6) . .
F13 Sb1 F15A 153.0(6) . .
F16A Sb1 F11 89.3(6) . .
F14 Sb1 F11 91.3(5) . .
F13A Sb1 F11 95.7(6) . .
F13 Sb1 F11 82.7(5) . .
F15A Sb1 F11 82.2(5) . .
F16A Sb1 F12 91.2(6) . .
F14 Sb1 F12 89.1(5) . .
F13A Sb1 F12 82.1(6) . .
F13 Sb1 F12 95.1(5) . .
F15A Sb1 F12 100.0(5) . .
F11 Sb1 F12 177.7(2) . .
F16A Sb1 F15 67.8(6) . .
F14 Sb1 F15 90.5(6) . .
F13A Sb1 F15 154.5(6) . .
F13 Sb1 F15 177.2(6) . .
F15A Sb1 F15 29.5(4) . .
F11 Sb1 F15 97.5(5) . .
F12 Sb1 F15 84.7(5) . .
F16A Sb1 F16 22.0(6) . .
F14 Sb1 F16 179.6(7) . .
F13A Sb1 F16 68.9(7) . .
F13 Sb1 F16 87.6(7) . .
F15A Sb1 F16 114.4(7) . .
F11 Sb1 F16 89.0(6) . .
F12 Sb1 F16 90.6(6) . .
F15 Sb1 F16 89.6(6) . .
F16A Sb1 F14A 179.3(8) . .
F14 Sb1 F14A 21.9(5) . .
F13A Sb1 F14A 89.3(7) . .
F13 Sb1 F14A 70.4(7) . .
F15A Sb1 F14A 87.3(7) . .
F11 Sb1 F14A 90.0(6) . .
F12 Sb1 F14A 89.5(6) . .
F15 Sb1 F14A 112.3(6) . .
F16 Sb1 F14A 158.0(6) . .
O105 Na1 O105 94.0(2) . 2_675
O105 Na1 O105 94.0(2) . 3_465
O105 Na1 O105 94.0(2) 2_675 3_465
O105 Na1 O102 114.20(16) . 2_675
O105 Na1 O102 67.82(15) 2_675 2_675
O105 Na1 O102 146.67(14) 3_465 2_675
O105 Na1 O102 67.82(15) . .
O105 Na1 O102 146.67(15) 2_675 .
O105 Na1 O102 114.20(16) 3_465 .
O102 Na1 O102 93.6(2) 2_675 .
O105 Na1 O102 146.67(15) . 3_465
O105 Na1 O102 114.20(16) 2_675 3_465
O105 Na1 O102 67.82(15) 3_465 3_465
O102 Na1 O102 93.6(2) 2_675 3_465
O102 Na1 O102 93.6(2) . 3_465
O102 C101 H10A 109.5 . .
O102 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
O102 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
C101 O102 C103 108.5(6) . .
C101 O102 Na1 123.6(5) . .
C103 O102 Na1 114.0(4) . .
O102 C103 C104 107.7(6) . .
O102 C103 H10D 110.2 . .
C104 C103 H10D 110.2 . .
O102 C103 H10E 110.2 . .
C104 C103 H10E 110.2 . .
H10D C103 H10E 108.5 . .
O105 C104 C103 109.2(6) . .
O105 C104 H10F 109.8 . .
C103 C104 H10F 109.8 . .
O105 C104 H10G 109.8 . .
C103 C104 H10G 109.8 . .
H10F C104 H10G 108.3 . .
C104 O105 C106 110.2(6) . .
C104 O105 Na1 113.6(4) . .
C106 O105 Na1 123.3(5) . .
O105 C106 H10H 109.5 . .
O105 C106 H10I 109.5 . .
H10H C106 H10I 109.5 . .
O105 C106 H10J 109.5 . .
H10H C106 H10J 109.5 . .
H10I C106 H10J 109.5 . .
O202 C201 H20C 109.5 . .
O202 C201 H20D 109.5 . .
H20C C201 H20D 109.5 . .
O202 C201 H20E 109.5 . .
H20C C201 H20E 109.5 . .
H20D C201 H20E 109.5 . .
C201 O202 C203 114.7(18) . .
O202 C203 C204 113.6(18) . .
O202 C203 H20F 108.9 . .
C204 C203 H20F 108.9 . .
O202 C203 H20G 108.9 . .
C204 C203 H20G 108.9 . .
H20F C203 H20G 107.7 . .
O205 C204 C203 120.1(19) . .
O205 C204 H20H 107.3 . .
C203 C204 H20H 107.3 . .
O205 C204 H20I 107.3 . .
C203 C204 H20I 107.3 . .
H20H C204 H20I 106.9 . .
C206 O205 C204 126(2) . .
O205 C206 H20J 109.5 . .
O205 C206 H20K 109.5 . .
H20J C206 H20K 109.5 . .
O205 C206 H20L 109.5 . .
H20J C206 H20L 109.5 . .
H20K C206 H20L 109.5 . .
O212 C211 H21C 109.5 . .
O212 C211 H21D 109.5 . .
H21C C211 H21D 109.5 . .
O212 C211 H21E 109.5 . .
H21C C211 H21E 109.5 . .
H21D C211 H21E 109.5 . .
C211 O212 C213 116(3) . .
O212 C213 C214 113(3) . .
O212 C213 H21F 109.0 . .
C214 C213 H21F 109.0 . .
O212 C213 H21G 109.0 . .
C214 C213 H21G 109.0 . .
H21F C213 H21G 107.8 . .
O215 C214 C213 117(3) . .
O215 C214 H21H 108.0 . .
C213 C214 H21H 108.0 . .
O215 C214 H21I 108.0 . .
C213 C214 H21I 108.0 . .
H21H C214 H21I 107.3 . .
C216 O215 C214 127(3) . .
O215 C216 H21J 109.5 . .
O215 C216 H21K 109.5 . .
H21J C216 H21K 109.5 . .
O215 C216 H21L 109.5 . .
H21J C216 H21L 109.5 . .
H21K C216 H21L 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 N2 1.911(9) .
U1 O1 2.137(3) .
U1 O1 2.137(4) 3_565
U1 O1 2.137(3) 2_665
U1 N1 2.617(4) 3_565
U1 N1 2.617(4) .
U1 N1 2.617(4) 2_665
Si1 N2 1.752(10) .
Si1 C18 1.864(8) .
Si1 C18 1.864(8) 2_665
Si1 C18 1.864(8) 3_565
O1 C5 1.361(6) .
N1 C3 1.497(6) .
N1 C1 1.498(6) .
N1 C2 1.499(6) 2_665
C1 C2 1.507(7) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 N1 1.499(6) 3_565
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.504(7) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.384(7) .
C4 C9 1.388(7) .
C5 C6 1.423(7) .
C6 C7 1.380(8) .
C6 C10 1.562(8) .
C7 C8 1.391(8) .
C7 H7A 0.9500 .
C8 C9 1.384(7) .
C8 C14 1.549(8) .
C9 H9A 0.9500 .
C10 C13 1.499(10) .
C10 C11 1.524(10) .
C10 C12 1.532(11) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C16A 1.21(3) .
C14 C17 1.509(10) .
C14 C17A 1.56(3) .
C14 C15 1.567(12) .
C14 C16 1.573(11) .
C14 C15A 1.68(3) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C15A H15D 0.9800 .
C15A H15E 0.9800 .
C15A H15F 0.9800 .
C16A H16D 0.9800 .
C16A H16E 0.9800 .
C16A H16F 0.9800 .
C17A H17D 0.9800 .
C17A H17E 0.9800 .
C17A H17F 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
U2 N4 1.917(9) .
U2 O2 2.134(4) 3_455
U2 O2 2.134(4) .
U2 O2 2.134(4) 2_565
U2 N3 2.619(4) .
U2 N3 2.619(4) 3_455
U2 N3 2.619(4) 2_565
Si2 N4 1.750(10) .
Si2 C36 1.861(8) 2_565
Si2 C36 1.861(8) .
Si2 C36 1.861(8) 3_455
O2 C23 1.360(6) .
N3 C19 1.496(6) .
N3 C21 1.502(6) .
N3 C20 1.507(6) 3_455
C19 C20 1.517(7) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 N3 1.507(6) 2_565
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.508(7) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.385(7) .
C22 C27 1.392(7) .
C23 C24 1.423(7) .
C24 C25 1.381(8) .
C24 C28 1.566(8) .
C25 C26 1.389(8) .
C25 H25A 0.9500 .
C26 C27 1.394(7) .
C26 C32 1.533(9) .
C27 H27A 0.9500 .
C28 C31 1.482(10) .
C28 C30 1.524(11) .
C28 C29 1.529(10) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 C35A 1.40(4) .
C32 C34 1.483(11) .
C32 C34A 1.55(3) .
C32 C33 1.566(12) .
C32 C35 1.600(11) .
C32 C33A 1.62(3) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C33A H33D 0.9800 .
C33A H33E 0.9800 .
C33A H33F 0.9800 .
C34A H34D 0.9800 .
C34A H34E 0.9800 .
C34A H34F 0.9800 .
C35A H35D 0.9800 .
C35A H35E 0.9800 .
C35A H35F 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
Sb1 F16A 1.805(16) .
Sb1 F14 1.819(15) .
Sb1 F13A 1.843(15) .
Sb1 F13 1.844(12) .
Sb1 F15A 1.847(12) .
Sb1 F11 1.852(3) .
Sb1 F12 1.860(3) .
Sb1 F15 1.862(10) .
Sb1 F16 1.917(15) .
Sb1 F14A 1.930(15) .
Na1 O105 2.469(6) .
Na1 O105 2.469(6) 2_675
Na1 O105 2.469(6) 3_465
Na1 O102 2.478(6) 2_675
Na1 O102 2.478(6) .
Na1 O102 2.478(6) 3_465
C101 O102 1.397(8) .
C101 H10A 0.9800 .
C101 H10B 0.9800 .
C101 H10C 0.9800 .
O102 C103 1.419(9) .
C103 C104 1.520(9) .
C103 H10D 0.9900 .
C103 H10E 0.9900 .
C104 O105 1.419(8) .
C104 H10F 0.9900 .
C104 H10G 0.9900 .
O105 C106 1.421(8) .
C106 H10H 0.9800 .
C106 H10I 0.9800 .
C106 H10J 0.9800 .
C201 O202 1.311(16) .
C201 H20C 0.9800 .
C201 H20D 0.9800 .
C201 H20E 0.9800 .
O202 C203 1.475(16) .
C203 C204 1.605(17) .
C203 H20F 0.9900 .
C203 H20G 0.9900 .
C204 O205 1.434(16) .
C204 H20H 0.9900 .
C204 H20I 0.9900 .
O205 C206 1.377(17) .
C206 H20J 0.9800 .
C206 H20K 0.9800 .
C206 H20L 0.9800 .
C211 O212 1.360(19) .
C211 H21C 0.9800 .
C211 H21D 0.9800 .
C211 H21E 0.9800 .
O212 C213 1.433(19) .
C213 C214 1.57(2) .
C213 H21F 0.9900 .
C213 H21G 0.9900 .
C214 O215 1.432(19) .
C214 H21H 0.9900 .
C214 H21I 0.9900 .
O215 C216 1.402(19) .
C216 H21J 0.9800 .
C216 H21K 0.9800 .
C216 H21L 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N2 U1 O1 C5 131.7(6) . . . .
O1 U1 O1 C5 -147.2(5) 3_565 . . .
O1 U1 O1 C5 50.7(7) 2_665 . . .
N1 U1 O1 C5 -84.2(6) 3_565 . . .
N1 U1 O1 C5 -17.2(6) . . . .
N1 U1 O1 C5 -41.2(7) 2_665 . . .
N2 U1 N1 C3 -6.8(4) . . . .
O1 U1 N1 C3 48.6(3) . . . .
O1 U1 N1 C3 161.8(3) 3_565 . . .
O1 U1 N1 C3 -76.4(3) 2_665 . . .
N1 U1 N1 C3 136.7(4) 3_565 . . .
N1 U1 N1 C3 -150.4(4) 2_665 . . .
N2 U1 N1 C1 -129.1(3) . . . .
O1 U1 N1 C1 -73.7(3) . . . .
O1 U1 N1 C1 39.6(4) 3_565 . . .
O1 U1 N1 C1 161.4(3) 2_665 . . .
N1 U1 N1 C1 14.5(3) 3_565 . . .
N1 U1 N1 C1 87.4(3) 2_665 . . .
N2 U1 N1 C2 106.9(3) . . . 2_665
O1 U1 N1 C2 162.3(3) . . . 2_665
O1 U1 N1 C2 -84.4(3) 3_565 . . 2_665
O1 U1 N1 C2 37.4(3) 2_665 . . 2_665
N1 U1 N1 C2 -109.5(3) 3_565 . . 2_665
N1 U1 N1 C2 -36.6(3) 2_665 . . 2_665
C3 N1 C1 C2 -107.4(5) . . . .
C2 N1 C1 C2 133.2(4) 2_665 . . .
U1 N1 C1 C2 10.1(5) . . . .
N1 C1 C2 N1 -46.0(5) . . . 3_565
C1 N1 C3 C4 44.7(5) . . . .
C2 N1 C3 C4 165.1(4) 2_665 . . .
U1 N1 C3 C4 -81.2(4) . . . .
N1 C3 C4 C5 59.3(6) . . . .
N1 C3 C4 C9 -121.5(5) . . . .
U1 O1 C5 C4 -3.6(9) . . . .
U1 O1 C5 C6 174.3(4) . . . .
C9 C4 C5 O1 174.0(4) . . . .
C3 C4 C5 O1 -6.8(7) . . . .
C9 C4 C5 C6 -4.0(8) . . . .
C3 C4 C5 C6 175.2(5) . . . .
O1 C5 C6 C7 -175.7(5) . . . .
C4 C5 C6 C7 2.2(8) . . . .
O1 C5 C6 C10 6.7(8) . . . .
C4 C5 C6 C10 -175.4(5) . . . .
C5 C6 C7 C8 1.5(8) . . . .
C10 C6 C7 C8 179.1(6) . . . .
C6 C7 C8 C9 -3.3(9) . . . .
C6 C7 C8 C14 178.6(6) . . . .
C7 C8 C9 C4 1.4(8) . . . .
C14 C8 C9 C4 179.4(5) . . . .
C5 C4 C9 C8 2.2(8) . . . .
C3 C4 C9 C8 -177.0(5) . . . .
C7 C6 C10 C13 122.4(7) . . . .
C5 C6 C10 C13 -60.1(9) . . . .
C7 C6 C10 C11 3.1(9) . . . .
C5 C6 C10 C11 -179.5(6) . . . .
C7 C6 C10 C12 -115.3(7) . . . .
C5 C6 C10 C12 62.1(8) . . . .
C9 C8 C14 C16A -41(2) . . . .
C7 C8 C14 C16A 137(2) . . . .
C9 C8 C14 C17 131.5(7) . . . .
C7 C8 C14 C17 -50.5(9) . . . .
C9 C8 C14 C17A 175.6(14) . . . .
C7 C8 C14 C17A -6.4(15) . . . .
C9 C8 C14 C15 9.7(9) . . . .
C7 C8 C14 C15 -172.3(7) . . . .
C9 C8 C14 C16 -108.3(7) . . . .
C7 C8 C14 C16 69.7(8) . . . .
C9 C8 C14 C15A 70.5(12) . . . .
C7 C8 C14 C15A -111.5(11) . . . .
N4 U2 O2 C23 131.6(6) . . . .
O2 U2 O2 C23 50.3(7) 3_455 . . .
O2 U2 O2 C23 -147.2(6) 2_565 . . .
N3 U2 O2 C23 -17.5(6) . . . .
N3 U2 O2 C23 -41.3(7) 3_455 . . .
N3 U2 O2 C23 -84.3(6) 2_565 . . .
N4 U2 N3 C19 -129.0(3) . . . .
O2 U2 N3 C19 161.3(3) 3_455 . . .
O2 U2 N3 C19 -73.6(3) . . . .
O2 U2 N3 C19 39.6(4) 2_565 . . .
N3 U2 N3 C19 87.5(3) 3_455 . . .
N3 U2 N3 C19 14.6(3) 2_565 . . .
N4 U2 N3 C21 -6.1(4) . . . .
O2 U2 N3 C21 -75.8(3) 3_455 . . .
O2 U2 N3 C21 49.3(3) . . . .
O2 U2 N3 C21 162.4(3) 2_565 . . .
N3 U2 N3 C21 -149.7(4) 3_455 . . .
N3 U2 N3 C21 137.5(4) 2_565 . . .
N4 U2 N3 C20 106.1(3) . . . 3_455
O2 U2 N3 C20 36.4(3) 3_455 . . 3_455
O2 U2 N3 C20 161.5(3) . . . 3_455
O2 U2 N3 C20 -85.4(3) 2_565 . . 3_455
N3 U2 N3 C20 -37.5(3) 3_455 . . 3_455
N3 U2 N3 C20 -110.3(3) 2_565 . . 3_455
C21 N3 C19 C20 -107.0(5) . . . .
C20 N3 C19 C20 134.3(4) 3_455 . . .
U2 N3 C19 C20 10.6(5) . . . .
N3 C19 C20 N3 -46.8(5) . . . 2_565
C19 N3 C21 C22 44.2(5) . . . .
C20 N3 C21 C22 165.0(4) 3_455 . . .
U2 N3 C21 C22 -81.9(4) . . . .
N3 C21 C22 C23 60.3(6) . . . .
N3 C21 C22 C27 -121.2(5) . . . .
U2 O2 C23 C22 -3.2(9) . . . .
U2 O2 C23 C24 174.7(4) . . . .
C27 C22 C23 O2 173.9(4) . . . .
C21 C22 C23 O2 -7.6(7) . . . .
C27 C22 C23 C24 -4.2(8) . . . .
C21 C22 C23 C24 174.4(5) . . . .
O2 C23 C24 C25 -175.6(5) . . . .
C22 C23 C24 C25 2.3(8) . . . .
O2 C23 C24 C28 6.6(9) . . . .
C22 C23 C24 C28 -175.5(6) . . . .
C23 C24 C25 C26 1.6(9) . . . .
C28 C24 C25 C26 179.4(6) . . . .
C24 C25 C26 C27 -3.5(9) . . . .
C24 C25 C26 C32 178.0(6) . . . .
C23 C22 C27 C26 2.2(8) . . . .
C21 C22 C27 C26 -176.3(5) . . . .
C25 C26 C27 C22 1.5(8) . . . .
C32 C26 C27 C22 -180.0(5) . . . .
C25 C24 C28 C31 122.8(7) . . . .
C23 C24 C28 C31 -59.4(9) . . . .
C25 C24 C28 C30 -114.6(7) . . . .
C23 C24 C28 C30 63.1(8) . . . .
C25 C24 C28 C29 2.7(9) . . . .
C23 C24 C28 C29 -179.5(7) . . . .
C25 C26 C32 C35A 112.1(19) . . . .
C27 C26 C32 C35A -66.3(19) . . . .
C25 C26 C32 C34 -49.8(9) . . . .
C27 C26 C32 C34 131.8(7) . . . .
C25 C26 C32 C34A -4.5(16) . . . .
C27 C26 C32 C34A 177.0(15) . . . .
C25 C26 C32 C33 -174.1(7) . . . .
C27 C26 C32 C33 7.5(9) . . . .
C25 C26 C32 C35 70.0(8) . . . .
C27 C26 C32 C35 -108.4(7) . . . .
C25 C26 C32 C33A -112.1(12) . . . .
C27 C26 C32 C33A 69.4(12) . . . .
O105 Na1 O102 C101 -152.5(6) . . . .
O105 Na1 O102 C101 146.4(7) 2_675 . . .
O105 Na1 O102 C101 -68.3(7) 3_465 . . .
O102 Na1 O102 C101 92.8(5) 2_675 . . .
O102 Na1 O102 C101 -1.0(7) 3_465 . . .
O105 Na1 O102 C103 -17.0(5) . . . .
O105 Na1 O102 C103 -78.0(7) 2_675 . . .
O105 Na1 O102 C103 67.2(5) 3_465 . . .
O102 Na1 O102 C103 -131.7(5) 2_675 . . .
O102 Na1 O102 C103 134.5(5) 3_465 . . .
C101 O102 C103 C104 -173.1(7) . . . .
Na1 O102 C103 C104 44.8(8) . . . .
O102 C103 C104 O105 -59.2(9) . . . .
C103 C104 O105 C106 -172.2(7) . . . .
C103 C104 O105 Na1 44.6(8) . . . .
O105 Na1 O105 C104 135.4(5) 2_675 . . .
O105 Na1 O105 C104 -130.4(6) 3_465 . . .
O102 Na1 O105 C104 67.9(5) 2_675 . . .
O102 Na1 O105 C104 -15.8(5) . . . .
O102 Na1 O105 C104 -76.0(8) 3_465 . . .
O105 Na1 O105 C106 -2.3(6) 2_675 . . .
O105 Na1 O105 C106 91.9(5) 3_465 . . .
O102 Na1 O105 C106 -69.8(7) 2_675 . . .
O102 Na1 O105 C106 -153.5(6) . . . .
O102 Na1 O105 C106 146.3(7) 3_465 . . .
C201 O202 C203 C204 -177(2) . . . .
O202 C203 C204 O205 -174(2) . . . .
C203 C204 O205 C206 -173(3) . . . .
C211 O212 C213 C214 -83(6) . . . .
O212 C213 C214 O215 108(5) . . . .
C213 C214 O215 C216 -179(6) . . . .
