#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/80/7118065.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_7118065
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_formula_moiety
'C72 H105 N4 O3 Si U, F6 Sb, 2.5(C7 H8), 0.5(C6 H14)'
_chemical_formula_sum            'C92.5 H132 F6 N4 O3 Sb Si U'
_chemical_formula_weight         1849.89
_chemical_name_systematic
; 
 ? 
;
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Heat-sensitive, Oxygen-sensitive'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-08-26 deposited with the CCDC.
2015-09-25 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 101.198(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.293(4)
_cell_length_b                   16.638(3)
_cell_length_c                   28.095(5)
_cell_measurement_reflns_used    273
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      20.00
_cell_measurement_theta_min      6.00
_cell_volume                     8847(3)
_computing_cell_refinement       'EVALCCD (Duisenberg, 2003)'
_computing_data_collection       'COLLECT (Bruker-Nonius, 2002)'
_computing_data_reduction        'EVALCCD (Duisenberg, 2003)'
_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      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method
;
 φ- and ω-rotations with 1.10 ° and 165 sec per frame
;
_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  0.0661
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            139819
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    2.209
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.686
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2002'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3800
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene, n-hexane'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.967
_refine_diff_density_min         -1.816
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1170
_refine_ls_number_reflns         19494
_refine_ls_number_restraints     616
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0375P)²+33.6290P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1038
_refine_ls_wR_factor_ref         0.1136
_reflns_number_gt                15137
_reflns_number_total             19494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc07211e2.cif
_cod_data_source_block           bk1020
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C92.50 H132 F6 N4 O3 Sb Si U'
_cod_database_code               7118065
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.242189(8) 0.358579(11) 0.164851(6) 0.02430(5) Uani 1 1 d . C .
Si1 Si 0.05507(7) 0.35625(9) 0.17329(5) 0.0304(3) Uani 1 1 d . C .
O1 O 0.24177(17) 0.2321(2) 0.17471(12) 0.0328(8) Uani 1 1 d . . .
O2 O 0.21050(16) 0.40158(19) 0.09246(11) 0.0260(7) Uani 1 1 d . . .
O3 O 0.25141(16) 0.4432(2) 0.22338(11) 0.0285(7) Uani 1 1 d . . .
N1 N 0.3353(2) 0.2894(2) 0.12082(13) 0.0273(8) Uani 1 1 d . . .
N2 N 0.33998(19) 0.4553(2) 0.14701(13) 0.0261(8) Uani 1 1 d . . .
N3 N 0.3633(2) 0.3368(3) 0.22051(14) 0.0318(9) Uani 1 1 d . . .
N4 N 0.1436(2) 0.3541(3) 0.16779(15) 0.0327(9) Uani 1 1 d . . .
C1 C 0.3571(3) 0.3491(3) 0.08681(16) 0.0312(11) Uani 1 1 d . C .
H1A H 0.3160 0.3617 0.0608 0.037 Uiso 1 1 calc R . .
H1B H 0.3942 0.3250 0.0714 0.037 Uiso 1 1 calc R . .
C2 C 0.3851(2) 0.4264(3) 0.11241(17) 0.0315(11) Uani 1 1 d . C .
H2A H 0.4338 0.4172 0.1305 0.038 Uiso 1 1 calc R . .
H2B H 0.3870 0.4686 0.0879 0.038 Uiso 1 1 calc R . .
C3 C 0.3862(2) 0.4772(3) 0.19430(17) 0.0329(11) Uani 1 1 d . C .
H3A H 0.3584 0.5084 0.2141 0.039 Uiso 1 1 calc R . .
H3B H 0.4255 0.5116 0.1883 0.039 Uiso 1 1 calc R . .
C4 C 0.4161(2) 0.4024(3) 0.22202(18) 0.0361(12) Uani 1 1 d . C .
H4A H 0.4562 0.3822 0.2082 0.043 Uiso 1 1 calc R . .
H4B H 0.4346 0.4171 0.2563 0.043 Uiso 1 1 calc R . .
C5 C 0.3928(3) 0.2590(3) 0.20734(17) 0.0340(11) Uani 1 1 d . C .
H5A H 0.3618 0.2145 0.2138 0.041 Uiso 1 1 calc R . .
H5B H 0.4400 0.2506 0.2279 0.041 Uiso 1 1 calc R . .
C6 C 0.3991(3) 0.2570(3) 0.15446(17) 0.0327(11) Uani 1 1 d . C .
H6A H 0.4410 0.2887 0.1504 0.039 Uiso 1 1 calc R . .
H6B H 0.4070 0.2008 0.1452 0.039 Uiso 1 1 calc R . .
C7 C 0.2955(3) 0.2249(3) 0.08941(18) 0.0367(12) Uani 1 1 d . C .
H7A H 0.3242 0.2081 0.0655 0.044 Uiso 1 1 calc R . .
H7B H 0.2513 0.2487 0.0710 0.044 Uiso 1 1 calc R . .
C8 C 0.2764(3) 0.1507(3) 0.11479(18) 0.0372(12) Uani 1 1 d . . .
C9 C 0.2479(3) 0.1568(3) 0.15704(18) 0.0353(12) Uani 1 1 d . C .
C10 C 0.2281(3) 0.0861(3) 0.1798(2) 0.0396(12) Uani 1 1 d . . .
C11 C 0.2324(3) 0.0142(4) 0.1551(2) 0.0499(15) Uani 1 1 d . C .
H11A H 0.2171 -0.0333 0.1687 0.060 Uiso 1 1 calc R . .
C12 C 0.2575(4) 0.0067(4) 0.1118(2) 0.0542(16) Uani 1 1 d . . .
C13 C 0.2801(3) 0.0772(4) 0.0932(2) 0.0491(15) Uani 1 1 d . C .
H13A H 0.2989 0.0744 0.0643 0.059 Uiso 1 1 calc R . .
C14 C 0.2040(3) 0.0878(3) 0.2289(2) 0.0447(14) Uani 1 1 d . C .
C15 C 0.1654(4) 0.0085(4) 0.2968(3) 0.064(2) Uani 1 1 d . C .
H15A H 0.1539 -0.0466 0.3073 0.077 Uiso 1 1 calc R . .
C16 C 0.1188(4) 0.1467(4) 0.2774(3) 0.068(2) Uani 1 1 d . C .
H16A H 0.0765 0.1823 0.2755 0.082 Uiso 1 1 calc R . .
C17 C 0.2438(4) 0.1268(4) 0.3183(2) 0.0570(17) Uani 1 1 d . C .
H17A H 0.2838 0.1496 0.3425 0.068 Uiso 1 1 calc R . .
C18 C 0.1856(4) 0.0034(4) 0.2459(3) 0.0590(18) Uani 1 1 d . . .
H18A H 0.2268 -0.0328 0.2474 0.071 Uiso 1 1 calc R C .
H18B H 0.1456 -0.0194 0.2222 0.071 Uiso 1 1 calc R . .
C19 C 0.1379(3) 0.1415(4) 0.2265(3) 0.0574(18) Uani 1 1 d . . .
H19A H 0.0977 0.1185 0.2031 0.069 Uiso 1 1 calc R C .
H19B H 0.1475 0.1959 0.2151 0.069 Uiso 1 1 calc R . .
C20 C 0.2647(3) 0.1198(4) 0.2679(2) 0.0481(15) Uani 1 1 d . . .
H20A H 0.2791 0.1734 0.2579 0.058 Uiso 1 1 calc R C .
H20B H 0.3058 0.0833 0.2704 0.058 Uiso 1 1 calc R . .
C21 C 0.0997(4) 0.0626(5) 0.2928(3) 0.078(2) Uani 1 1 d . . .
H21A H 0.0603 0.0404 0.2684 0.093 Uiso 1 1 calc R C .
H21B H 0.0844 0.0652 0.3244 0.093 Uiso 1 1 calc R . .
C22 C 0.2256(4) 0.0425(5) 0.3334(3) 0.067(2) Uani 1 1 d . . .
H22A H 0.2675 0.0073 0.3358 0.080 Uiso 1 1 calc R C .
H22B H 0.2123 0.0447 0.3657 0.080 Uiso 1 1 calc R . .
C23 C 0.1785(4) 0.1818(5) 0.3133(3) 0.066(2) Uani 1 1 d . . .
H23A H 0.1645 0.1875 0.3452 0.079 Uiso 1 1 calc R C .
H23B H 0.1901 0.2359 0.3024 0.079 Uiso 1 1 calc R . .
C24 C 0.2579(5) -0.0733(4) 0.0848(2) 0.081(3) Uani 1 1 d D C .
C25 C 0.2365(6) -0.1440(4) 0.1114(3) 0.097(3) Uani 1 1 d D . .
H25A H 0.1867 -0.1388 0.1138 0.145 Uiso 1 1 calc R C .
H25B H 0.2658 -0.1462 0.1440 0.145 Uiso 1 1 calc R . .
H25C H 0.2431 -0.1934 0.0938 0.145 Uiso 1 1 calc R . .
C26 C 0.2149(6) -0.0665(6) 0.0346(3) 0.115(3) Uani 1 1 d DU . .
H26A H 0.1654 -0.0568 0.0362 0.172 Uiso 1 1 calc R C .
H26B H 0.2187 -0.1165 0.0168 0.172 Uiso 1 1 calc R . .
H26C H 0.2326 -0.0217 0.0177 0.172 Uiso 1 1 calc R . .
C27 C 0.3375(6) -0.0899(4) 0.0785(3) 0.095(3) Uani 1 1 d D . .
H27A H 0.3685 -0.0927 0.1105 0.143 Uiso 1 1 calc R C .
H27B H 0.3531 -0.0462 0.0597 0.143 Uiso 1 1 calc R . .
H27C H 0.3395 -0.1409 0.0614 0.143 Uiso 1 1 calc R . .
C28 C 0.2972(2) 0.5277(3) 0.12757(16) 0.0291(10) Uani 1 1 d . C .
H28A H 0.3288 0.5751 0.1319 0.035 Uiso 1 1 calc R . .
H28B H 0.2609 0.5365 0.1475 0.035 Uiso 1 1 calc R . .
C29 C 0.2607(2) 0.5241(3) 0.07502(16) 0.0275(10) Uani 1 1 d . . .
C30 C 0.2139(2) 0.4611(3) 0.05926(16) 0.0261(10) Uani 1 1 d . C .
C31 C 0.1735(2) 0.4601(3) 0.01137(16) 0.0281(10) Uani 1 1 d . . .
C32 C 0.1843(3) 0.5248(3) -0.01811(16) 0.0301(10) Uani 1 1 d . C .
H32A H 0.1582 0.5255 -0.0505 0.036 Uiso 1 1 calc R . .
C33 C 0.2306(3) 0.5882(3) -0.00347(17) 0.0328(11) Uani 1 1 d . . .
C34 C 0.2690(3) 0.5863(3) 0.04413(16) 0.0304(10) Uani 1 1 d . C .
H34A H 0.3013 0.6285 0.0554 0.037 Uiso 1 1 calc R . .
C35 C 0.1192(3) 0.3941(3) -0.00765(16) 0.0318(11) Uani 1 1 d . C .
C36 C 0.0091(4) 0.3234(6) 0.0080(2) 0.074(2) Uani 1 1 d . C .
H36A H -0.0248 0.3195 0.0306 0.089 Uiso 1 1 calc R . .
C37 C 0.0205(4) 0.3491(4) -0.0763(2) 0.0612(19) Uani 1 1 d . C .
H37A H -0.0058 0.3640 -0.1094 0.073 Uiso 1 1 calc R . .
C38 C 0.0969(4) 0.2462(5) -0.0276(3) 0.073(2) Uani 1 1 d . C .
H38A H 0.1201 0.1926 -0.0285 0.088 Uiso 1 1 calc R . .
C39 C 0.0762(3) 0.4144(4) -0.0586(2) 0.0535(16) Uani 1 1 d . . .
H39A H 0.0524 0.4669 -0.0575 0.064 Uiso 1 1 calc R C .
H39B H 0.1087 0.4190 -0.0818 0.064 Uiso 1 1 calc R . .
C40 C 0.0647(3) 0.3885(4) 0.0258(2) 0.0516(16) Uani 1 1 d . . .
H40A H 0.0893 0.3757 0.0593 0.062 Uiso 1 1 calc R C .
H40B H 0.0409 0.4411 0.0266 0.062 Uiso 1 1 calc R . .
C41 C 0.1536(3) 0.3134(4) -0.0108(3) 0.0570(17) Uani 1 1 d . . .
H41A H 0.1819 0.2991 0.0214 0.068 Uiso 1 1 calc R C .
H41B H 0.1860 0.3166 -0.0340 0.068 Uiso 1 1 calc R . .
C42 C -0.0306(4) 0.3449(5) -0.0429(3) 0.076(2) Uani 1 1 d . . .
H42A H -0.0670 0.3037 -0.0545 0.092 Uiso 1 1 calc R C .
H42B H -0.0545 0.3974 -0.0422 0.092 Uiso 1 1 calc R . .
C43 C 0.0567(4) 0.2705(5) -0.0794(2) 0.075(2) Uani 1 1 d . . .
H43A H 0.0905 0.2752 -0.1016 0.089 Uiso 1 1 calc R C .
H43B H 0.0215 0.2287 -0.0923 0.089 Uiso 1 1 calc R . .
C44 C 0.0468(5) 0.2449(5) 0.0068(2) 0.075(3) Uani 1 1 d . . .
H44A H 0.0733 0.2324 0.0398 0.091 Uiso 1 1 calc R C .
H44B H 0.0116 0.2018 -0.0028 0.091 Uiso 1 1 calc R . .
C45 C 0.2375(3) 0.6587(3) -0.03811(17) 0.0370(12) Uani 1 1 d . A .
C46 C 0.2495(8) 0.6284(6) -0.0868(3) 0.061(4) Uani 0.658(15) 1 d P A 1
H46A H 0.2918 0.5945 -0.0819 0.092 Uiso 0.658(15) 1 calc PR A 1
H46B H 0.2559 0.6742 -0.1074 0.092 Uiso 0.658(15) 1 calc PR A 1
H46C H 0.2085 0.5968 -0.1025 0.092 Uiso 0.658(15) 1 calc PR A 1
C47 C 0.3020(6) 0.7152(6) -0.0172(4) 0.055(3) Uani 0.658(15) 1 d P A 1
H47A H 0.2945 0.7399 0.0130 0.082 Uiso 0.658(15) 1 calc PR A 1
H47B H 0.3060 0.7574 -0.0409 0.082 Uiso 0.658(15) 1 calc PR A 1
H47C H 0.3456 0.6835 -0.0108 0.082 Uiso 0.658(15) 1 calc PR A 1
C48 C 0.1717(6) 0.7097(7) -0.0445(5) 0.064(4) Uani 0.658(15) 1 d P A 1
H48A H 0.1659 0.7306 -0.0129 0.096 Uiso 0.658(15) 1 calc PR A 1
H48B H 0.1305 0.6770 -0.0585 0.096 Uiso 0.658(15) 1 calc PR A 1
H48C H 0.1759 0.7547 -0.0663 0.096 Uiso 0.658(15) 1 calc PR A 1
C48A C 0.1865(14) 0.6449(12) -0.0899(6) 0.056(7) Uani 0.342(15) 1 d P A 2
H48D H 0.1372 0.6448 -0.0859 0.084 Uiso 0.342(15) 1 calc PR A 2
H48E H 0.1976 0.5933 -0.1034 0.084 Uiso 0.342(15) 1 calc PR A 2
H48F H 0.1936 0.6884 -0.1121 0.084 Uiso 0.342(15) 1 calc PR A 2
C46A C 0.3112(13) 0.6583(19) -0.0460(10) 0.086(11) Uani 0.342(15) 1 d P A 2
H46D H 0.3439 0.6606 -0.0146 0.130 Uiso 0.342(15) 1 calc PR A 2
H46E H 0.3189 0.7050 -0.0656 0.130 Uiso 0.342(15) 1 calc PR A 2
H46F H 0.3197 0.6089 -0.0630 0.130 Uiso 0.342(15) 1 calc PR A 2
C47A C 0.2117(19) 0.7316(11) -0.0193(7) 0.073(10) Uani 0.342(15) 1 d P A 2
H47D H 0.2413 0.7446 0.0123 0.110 Uiso 0.342(15) 1 calc PR A 2
H47E H 0.1628 0.7237 -0.0154 0.110 Uiso 0.342(15) 1 calc PR A 2
H47F H 0.2136 0.7760 -0.0420 0.110 Uiso 0.342(15) 1 calc PR A 2
C49 C 0.3394(3) 0.3267(4) 0.26855(18) 0.0448(14) Uani 1 1 d . C .
H49A H 0.3739 0.2924 0.2901 0.054 Uiso 1 1 calc R B 1
H49B H 0.2932 0.2989 0.2628 0.054 Uiso 1 1 calc R B 1
C50 C 0.3321(7) 0.4103(7) 0.2952(4) 0.039(2) Uani 0.647(7) 1 d PDU C 1
C51 C 0.2810(13) 0.4656(10) 0.2719(5) 0.035(2) Uani 0.647(7) 1 d PDU C 1
C52 C 0.2699(7) 0.5384(7) 0.2946(4) 0.039(2) Uani 0.647(7) 1 d PDU C 1
C53 C 0.3110(5) 0.5505(6) 0.3414(3) 0.046(2) Uani 0.647(7) 1 d PDU C 1
H53A H 0.3039 0.5988 0.3578 0.055 Uiso 0.647(7) 1 calc PR C 1
C54 C 0.3618(6) 0.4963(7) 0.3654(3) 0.053(2) Uani 0.647(7) 1 d PDU C 1
C55 C 0.3724(6) 0.4266(7) 0.3411(3) 0.048(2) Uani 0.647(7) 1 d PDU C 1
H55A H 0.4075 0.3894 0.3558 0.058 Uiso 0.647(7) 1 calc PR C 1
C50A C 0.3203(14) 0.3881(14) 0.2926(7) 0.039(3) Uani 0.353(7) 1 d PDU C 2
C51A C 0.279(2) 0.451(2) 0.2684(8) 0.036(3) Uani 0.353(7) 1 d PDU C 2
C52A C 0.2595(14) 0.5163(14) 0.2946(7) 0.041(3) Uani 0.353(7) 1 d PDU C 2
C53A C 0.2837(10) 0.5130(12) 0.3453(6) 0.047(3) Uani 0.353(7) 1 d PDU C 2
H53B H 0.2698 0.5551 0.3642 0.056 Uiso 0.353(7) 1 calc PR C 2
C54A C 0.3267(10) 0.4523(11) 0.3700(5) 0.049(3) Uani 0.353(7) 1 d PDU C 2
C55A C 0.3446(10) 0.3896(12) 0.3427(6) 0.045(3) Uani 0.353(7) 1 d PDU C 2
H55B H 0.3736 0.3472 0.3581 0.054 Uiso 0.353(7) 1 calc PR C 2
C56 C 0.2182(3) 0.5988(3) 0.27072(18) 0.0359(12) Uani 1 1 d . . .
C57 C 0.1004(3) 0.6347(4) 0.2182(2) 0.0493(15) Uani 1 1 d . . .
H57A H 0.0541 0.6123 0.2012 0.059 Uiso 1 1 calc R C .
C58 C 0.1579(3) 0.7319(4) 0.2809(2) 0.0557(17) Uani 1 1 d . . .
H58A H 0.1492 0.7729 0.3050 0.067 Uiso 1 1 calc R C .
C59 C 0.2081(4) 0.7083(4) 0.2071(2) 0.0562(16) Uani 1 1 d . . .
H59A H 0.2326 0.7340 0.1827 0.067 Uiso 1 1 calc R C .
C60 C 0.1457(3) 0.5665(3) 0.2451(2) 0.0396(12) Uani 1 1 d . C .
H60A H 0.1524 0.5241 0.2218 0.048 Uiso 1 1 calc R . .
H60B H 0.1210 0.5424 0.2694 0.048 Uiso 1 1 calc R . .
C61 C 0.2045(3) 0.6641(4) 0.3074(2) 0.0545(17) Uani 1 1 d . C .
H61A H 0.1808 0.6395 0.3320 0.065 Uiso 1 1 calc R . .
H61B H 0.2501 0.6868 0.3243 0.065 Uiso 1 1 calc R . .
C62 C 0.0874(3) 0.6970(4) 0.2552(3) 0.0585(17) Uani 1 1 d . C .
H62A H 0.0630 0.6715 0.2793 0.070 Uiso 1 1 calc R . .
H62B H 0.0568 0.7404 0.2387 0.070 Uiso 1 1 calc R . .
C63 C 0.2541(3) 0.6411(4) 0.2333(2) 0.0446(13) Uani 1 1 d . C .
H63A H 0.2998 0.6638 0.2500 0.054 Uiso 1 1 calc R . .
H63B H 0.2638 0.6013 0.2093 0.054 Uiso 1 1 calc R . .
C64 C 0.1377(4) 0.6725(4) 0.1813(2) 0.0554(17) Uani 1 1 d . C .
H64A H 0.1077 0.7153 0.1635 0.067 Uiso 1 1 calc R . .
H64B H 0.1462 0.6314 0.1576 0.067 Uiso 1 1 calc R . .
C65 C 0.1944(4) 0.7713(4) 0.2441(3) 0.069(2) Uani 1 1 d . C .
H65A H 0.2398 0.7950 0.2607 0.083 Uiso 1 1 calc R . .
H65B H 0.1645 0.8150 0.2273 0.083 Uiso 1 1 calc R . .
C66 C 0.4011(7) 0.5071(8) 0.4173(4) 0.088(3) Uani 0.647(7) 1 d PDU C 1
C67 C 0.3795(8) 0.5780(8) 0.4417(4) 0.085(4) Uani 0.647(7) 1 d PDU C 1
H67A H 0.3900 0.6266 0.4248 0.127 Uiso 0.647(7) 1 calc PR C 1
H67B H 0.4053 0.5794 0.4754 0.127 Uiso 0.647(7) 1 calc PR C 1
H67C H 0.3286 0.5753 0.4413 0.127 Uiso 0.647(7) 1 calc PR C 1
C68 C 0.4745(7) 0.4911(12) 0.4215(6) 0.113(5) Uani 0.647(7) 1 d PDU C 1
H68A H 0.4955 0.5319 0.4035 0.170 Uiso 0.647(7) 1 calc PR C 1
H68B H 0.4808 0.4378 0.4081 0.170 Uiso 0.647(7) 1 calc PR C 1
H68C H 0.4977 0.4925 0.4558 0.170 Uiso 0.647(7) 1 calc PR C 1
C69 C 0.3830(12) 0.4284(10) 0.4497(5) 0.123(5) Uani 0.647(7) 1 d PDU C 1
H69A H 0.4080 0.4342 0.4834 0.184 Uiso 0.647(7) 1 calc PR C 1
H69B H 0.3984 0.3789 0.4359 0.184 Uiso 0.647(7) 1 calc PR C 1
H69C H 0.3320 0.4259 0.4487 0.184 Uiso 0.647(7) 1 calc PR C 1
C66A C 0.3429(15) 0.4450(17) 0.4262(9) 0.087(4) Uani 0.353(7) 1 d PU C 2
C67A C 0.3479(14) 0.5312(16) 0.4485(8) 0.077(5) Uani 0.353(7) 1 d PU C 2
H67D H 0.3005 0.5542 0.4449 0.116 Uiso 0.353(7) 1 calc PR C 2
H67E H 0.3769 0.5652 0.4317 0.116 Uiso 0.353(7) 1 calc PR C 2
H67F H 0.3697 0.5282 0.4830 0.116 Uiso 0.353(7) 1 calc PR C 2
C68A C 0.2896(16) 0.3799(18) 0.4447(9) 0.101(7) Uani 0.353(7) 1 d PU C 2
H68D H 0.2407 0.3986 0.4354 0.151 Uiso 0.353(7) 1 calc PR C 2
H68E H 0.3020 0.3748 0.4801 0.151 Uiso 0.353(7) 1 calc PR C 2
H68F H 0.2944 0.3275 0.4298 0.151 Uiso 0.353(7) 1 calc PR C 2
C69A C 0.4419(18) 0.434(2) 0.4384(10) 0.108(6) Uani 0.353(7) 1 d PU C 2
H69D H 0.4545 0.3802 0.4291 0.162 Uiso 0.353(7) 1 calc PR C 2
H69E H 0.4606 0.4426 0.4731 0.162 Uiso 0.353(7) 1 calc PR C 2
H69F H 0.4622 0.4743 0.4195 0.162 Uiso 0.353(7) 1 calc PR C 2
C70 C 0.0093(3) 0.2650(4) 0.1448(2) 0.0449(14) Uani 1 1 d . . .
H70A H 0.0170 0.2600 0.1115 0.067 Uiso 1 1 calc R C .
H70B H -0.0414 0.2694 0.1445 0.067 Uiso 1 1 calc R . .
H70C H 0.0282 0.2174 0.1635 0.067 Uiso 1 1 calc R . .
C71 C 0.0142(3) 0.4462(4) 0.1406(2) 0.0490(15) Uani 1 1 d . . .
H71A H 0.0380 0.4946 0.1555 0.074 Uiso 1 1 calc R C .
H71B H -0.0359 0.4484 0.1424 0.074 Uiso 1 1 calc R . .
H71C H 0.0190 0.4433 0.1065 0.074 Uiso 1 1 calc R . .
C72 C 0.0519(3) 0.3634(4) 0.2389(2) 0.0475(14) Uani 1 1 d . . .
H72A H 0.0777 0.4113 0.2528 0.071 Uiso 1 1 calc R C .
H72B H 0.0738 0.3154 0.2558 0.071 Uiso 1 1 calc R . .
H72C H 0.0026 0.3671 0.2428 0.071 Uiso 1 1 calc R . .
Sb1 Sb 0.47044(3) 0.79156(3) 0.64247(2) 0.07641(17) Uani 1 1 d . . .
F11 F 0.4867(3) 0.6882(3) 0.6683(2) 0.116(2) Uani 1 1 d . . .
F12 F 0.4713(4) 0.8294(4) 0.7043(2) 0.140(3) Uani 1 1 d . . .
F13 F 0.4552(2) 0.8962(3) 0.61889(16) 0.0825(13) Uani 1 1 d . . .
F14 F 0.4629(5) 0.7504(5) 0.5802(3) 0.159(3) Uani 1 1 d U . .
F15 F 0.5650(3) 0.8047(4) 0.6485(3) 0.129(2) Uani 1 1 d U . .
F16 F 0.3730(3) 0.7766(3) 0.6366(3) 0.135(2) Uani 1 1 d . . .
C101 C 0.1117(9) -0.0292(9) -0.0945(5) 0.147(4) Uani 1 1 d DU . .
H101 H 0.1578 -0.0514 -0.0860 0.176 Uiso 1 1 calc R . .
C102 C 0.0563(9) -0.0653(10) -0.0802(6) 0.166(4) Uani 1 1 d U . .
H102 H 0.0651 -0.1135 -0.0618 0.199 Uiso 1 1 calc R . .
C103 C -0.0138(9) -0.0362(10) -0.0907(6) 0.178(4) Uani 1 1 d U . .
H103 H -0.0512 -0.0583 -0.0773 0.213 Uiso 1 1 calc R . .
C104 C -0.0218(9) 0.0266(10) -0.1218(5) 0.159(4) Uani 1 1 d U . .
H104 H -0.0682 0.0460 -0.1339 0.191 Uiso 1 1 calc R . .
C105 C 0.0335(8) 0.0636(9) -0.1367(5) 0.135(3) Uani 1 1 d DU . .
H105 H 0.0252 0.1077 -0.1585 0.162 Uiso 1 1 calc R . .
C106 C 0.1007(9) 0.0366(9) -0.1201(5) 0.133(3) Uani 1 1 d DU . .
C107 C 0.1632(10) 0.0871(11) -0.1249(6) 0.202(6) Uani 1 1 d DU . .
H10A H 0.1472 0.1344 -0.1448 0.303 Uiso 1 1 calc R . .
H10B H 0.1955 0.0555 -0.1405 0.303 Uiso 1 1 calc R . .
H10C H 0.1877 0.1043 -0.0927 0.303 Uiso 1 1 calc R . .
C201 C 0.3992(5) 0.8901(8) 0.2413(4) 0.101(4) Uani 0.629(9) 1 d PGU D 1
H201 H 0.3942 0.8761 0.2080 0.122 Uiso 0.629(9) 1 calc PR D 1
C202 C 0.3909(5) 0.8317(6) 0.2752(5) 0.112(3) Uani 0.629(9) 1 d PGU D 1
H202 H 0.3802 0.7779 0.2650 0.134 Uiso 0.629(9) 1 calc PR D 1
C203 C 0.3982(6) 0.8521(8) 0.3239(5) 0.117(3) Uani 0.629(9) 1 d PGU D 1
H203 H 0.3925 0.8122 0.3470 0.140 Uiso 0.629(9) 1 calc PR D 1
C204 C 0.4138(5) 0.9308(9) 0.3387(4) 0.112(3) Uani 0.629(9) 1 d PGU D 1
H204 H 0.4187 0.9447 0.3720 0.135 Uiso 0.629(9) 1 calc PR D 1
C205 C 0.4221(5) 0.9892(6) 0.3049(5) 0.103(3) Uani 0.629(9) 1 d PGU D 1
H205 H 0.4328 1.0430 0.3150 0.124 Uiso 0.629(9) 1 calc PR D 1
C206 C 0.4148(5) 0.9688(7) 0.2562(4) 0.099(4) Uani 0.629(9) 1 d PGU D 1
C207 C 0.4274(8) 1.0245(11) 0.2161(6) 0.113(5) Uani 0.629(9) 1 d PU D 1
H20C H 0.4186 0.9955 0.1851 0.169 Uiso 0.629(9) 1 calc PR D 1
H20D H 0.4764 1.0435 0.2231 0.169 Uiso 0.629(9) 1 calc PR D 1
H20E H 0.3953 1.0706 0.2139 0.169 Uiso 0.629(9) 1 calc PR D 1
C211 C 0.4112(10) 0.9386(10) 0.3281(9) 0.112(4) Uani 0.380(9) 1 d PGU E 2
H211 H 0.4113 0.9957 0.3280 0.135 Uiso 0.380(9) 1 calc PR E 2
C212 C 0.4211(8) 0.8972(14) 0.3719(7) 0.114(4) Uani 0.380(9) 1 d PGU E 2
H212 H 0.4279 0.9259 0.4016 0.137 Uiso 0.380(9) 1 calc PR E 2
C213 C 0.4209(8) 0.8136(14) 0.3721(7) 0.116(4) Uani 0.380(9) 1 d PGU E 2
H213 H 0.4276 0.7853 0.4020 0.139 Uiso 0.380(9) 1 calc PR E 2
C214 C 0.4108(8) 0.7715(10) 0.3286(9) 0.116(4) Uani 0.380(9) 1 d PGU E 2
H214 H 0.4107 0.7144 0.3287 0.139 Uiso 0.380(9) 1 calc PR E 2
C215 C 0.4009(9) 0.8130(13) 0.2848(7) 0.113(4) Uani 0.380(9) 1 d PGU E 2
H215 H 0.3940 0.7842 0.2550 0.135 Uiso 0.380(9) 1 calc PR E 2
C216 C 0.4011(9) 0.8965(13) 0.2846(7) 0.108(3) Uani 0.380(9) 1 d PGU E 2
C217 C 0.3999(17) 0.945(2) 0.2445(12) 0.112(6) Uani 0.380(9) 1 d PU E 2
H21C H 0.4005 1.0017 0.2544 0.168 Uiso 0.380(9) 1 calc PR E 2
H21D H 0.3568 0.9344 0.2204 0.168 Uiso 0.380(9) 1 calc PR E 2
H21E H 0.4413 0.9338 0.2303 0.168 Uiso 0.380(9) 1 calc PR E 2
C301 C 0.4368(12) 0.6666(19) 0.3769(10) 0.237(11) Uani 0.491(8) 1 d PGU F 2
H301 H 0.3988 0.6811 0.3515 0.284 Uiso 0.491(8) 1 calc PR F 2
C302 C 0.4525(14) 0.7133(14) 0.4186(13) 0.244(11) Uani 0.491(8) 1 d PGU F 2
H302 H 0.4251 0.7597 0.4217 0.293 Uiso 0.491(8) 1 calc PR F 2
C303 C 0.5081(17) 0.6920(18) 0.4557(9) 0.246(11) Uani 0.491(8) 1 d PGU F 2
H303 H 0.5188 0.7240 0.4842 0.295 Uiso 0.491(8) 1 calc PR F 2
C304 C 0.5482(13) 0.6241(19) 0.4511(10) 0.246(11) Uani 0.491(8) 1 d PGU F 2
H304 H 0.5863 0.6096 0.4765 0.295 Uiso 0.491(8) 1 calc PR F 2
C305 C 0.5326(15) 0.5773(14) 0.4094(13) 0.240(11) Uani 0.491(8) 1 d PGU F 2
H305 H 0.5600 0.5309 0.4063 0.288 Uiso 0.491(8) 1 calc PR F 2
C306 C 0.4769(16) 0.5986(18) 0.3723(9) 0.233(10) Uani 0.491(8) 1 d PGU F 2
C307 C 0.466(2) 0.557(2) 0.3203(15) 0.247(13) Uani 0.491(8) 1 d PU F 2
H30A H 0.4249 0.5797 0.2989 0.371 Uiso 0.491(8) 1 calc PR F 2
H30B H 0.4595 0.4989 0.3237 0.371 Uiso 0.491(8) 1 calc PR F 2
H30C H 0.5084 0.5661 0.3062 0.371 Uiso 0.491(8) 1 calc PR F 2
C401 C 0.4592(6) 0.994(2) 0.4928(8) 0.321(13) Uani 1 1 d DU . .
H40C H 0.4450 0.9595 0.4638 0.385 Uiso 1 1 calc R . .
H40D H 0.4379 0.9741 0.5199 0.385 Uiso 1 1 calc R . .
C402 C 0.4467(14) 1.076(2) 0.4830(8) 0.325(13) Uani 1 1 d DU . .
H40E H 0.4781 1.0933 0.4610 0.390 Uiso 1 1 calc R . .
H40F H 0.4615 1.1055 0.5139 0.390 Uiso 1 1 calc R . .
C403 C 0.3705(13) 1.1028(19) 0.4604(6) 0.330(13) Uani 1 1 d DU . .
H40G H 0.3701 1.1607 0.4539 0.495 Uiso 1 1 calc R . .
H40H H 0.3390 1.0910 0.4830 0.495 Uiso 1 1 calc R . .
H40I H 0.3542 1.0738 0.4299 0.495 Uiso 1 1 calc R . .
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'
Si Si 0.0817 0.0704 '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'
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
N4 U1 O1 85.84(15) . .
N4 U1 O2 87.19(14) . .
O1 U1 O2 116.73(12) . .
N4 U1 O3 85.86(15) . .
O1 U1 O3 123.53(12) . .
O2 U1 O3 118.49(12) . .
N4 U1 N3 139.32(15) . .
O1 U1 N3 78.87(13) . .
O2 U1 N3 133.32(12) . .
O3 U1 N3 72.31(12) . .
N4 U1 N2 142.47(15) . .
O1 U1 N2 131.28(12) . .
O2 U1 N2 72.11(11) . .
O3 U1 N2 77.66(12) . .
N3 U1 N2 66.25(13) . .
N4 U1 N1 140.75(16) . .
O1 U1 N1 69.45(12) . .
O2 U1 N1 78.10(12) . .
O3 U1 N1 133.11(12) . .
N3 U1 N1 66.57(12) . .
N2 U1 N1 66.01(12) . .
N4 Si1 C71 107.6(2) . .
N4 Si1 C70 109.7(2) . .
C71 Si1 C70 109.1(3) . .
N4 Si1 C72 108.1(2) . .
C71 Si1 C72 110.4(3) . .
C70 Si1 C72 112.0(3) . .
C9 O1 U1 149.6(3) . .
C30 O2 U1 148.2(3) . .
C51A O3 U1 141.5(11) . .
C51 O3 U1 149.9(5) . .
C1 N1 C6 110.2(4) . .
C1 N1 C7 105.9(3) . .
C6 N1 C7 112.1(4) . .
C1 N1 U1 108.2(3) . .
C6 N1 U1 114.4(3) . .
C7 N1 U1 105.7(3) . .
C3 N2 C28 108.6(4) . .
C3 N2 C2 109.4(4) . .
C28 N2 C2 111.6(4) . .
C3 N2 U1 108.0(3) . .
C28 N2 U1 101.5(2) . .
C2 N2 U1 117.3(3) . .
C4 N3 C5 110.5(4) . .
C4 N3 C49 112.3(4) . .
C5 N3 C49 108.8(4) . .
C4 N3 U1 116.8(3) . .
C5 N3 U1 108.5(3) . .
C49 N3 U1 99.2(3) . .
Si1 N4 U1 175.8(3) . .
N1 C1 C2 112.2(4) . .
N1 C1 H1A 109.2 . .
C2 C1 H1A 109.2 . .
N1 C1 H1B 109.2 . .
C2 C1 H1B 109.2 . .
H1A C1 H1B 107.9 . .
N2 C2 C1 112.3(4) . .
N2 C2 H2A 109.1 . .
C1 C2 H2A 109.1 . .
N2 C2 H2B 109.1 . .
C1 C2 H2B 109.1 . .
H2A C2 H2B 107.9 . .
N2 C3 C4 110.9(4) . .
N2 C3 H3A 109.5 . .
C4 C3 H3A 109.5 . .
N2 C3 H3B 109.5 . .
C4 C3 H3B 109.5 . .
H3A C3 H3B 108.0 . .
N3 C4 C3 113.3(4) . .
N3 C4 H4A 108.9 . .
C3 C4 H4A 108.9 . .
N3 C4 H4B 108.9 . .
C3 C4 H4B 108.9 . .
H4A C4 H4B 107.7 . .
N3 C5 C6 111.7(4) . .
N3 C5 H5A 109.3 . .
C6 C5 H5A 109.3 . .
N3 C5 H5B 109.3 . .
C6 C5 H5B 109.3 . .
H5A C5 H5B 107.9 . .
N1 C6 C5 113.5(4) . .
N1 C6 H6A 108.9 . .
C5 C6 H6A 108.9 . .
N1 C6 H6B 108.9 . .
C5 C6 H6B 108.9 . .
H6A C6 H6B 107.7 . .
N1 C7 C8 116.9(4) . .
N1 C7 H7A 108.1 . .
C8 C7 H7A 108.1 . .
N1 C7 H7B 108.1 . .
C8 C7 H7B 108.1 . .
H7A C7 H7B 107.3 . .
C13 C8 C9 120.0(5) . .
C13 C8 C7 118.8(5) . .
C9 C8 C7 120.9(5) . .
O1 C9 C8 116.7(4) . .
O1 C9 C10 123.1(5) . .
C8 C9 C10 120.1(5) . .
C11 C10 C9 116.0(5) . .
C11 C10 C14 121.3(5) . .
C9 C10 C14 122.7(5) . .
C10 C11 C12 125.0(5) . .
C10 C11 H11A 117.5 . .
C12 C11 H11A 117.5 . .
C13 C12 C11 116.1(6) . .
C13 C12 C24 120.9(6) . .
C11 C12 C24 122.9(6) . .
C8 C13 C12 122.5(6) . .
C8 C13 H13A 118.8 . .
C12 C13 H13A 118.8 . .
C20 C14 C10 108.9(4) . .
C20 C14 C18 106.5(5) . .
C10 C14 C18 112.8(5) . .
C20 C14 C19 109.8(5) . .
C10 C14 C19 111.2(5) . .
C18 C14 C19 107.6(5) . .
C22 C15 C21 110.2(7) . .
C22 C15 C18 110.5(5) . .
C21 C15 C18 108.2(6) . .
C22 C15 H15A 109.3 . .
C21 C15 H15A 109.3 . .
C18 C15 H15A 109.3 . .
C23 C16 C21 111.4(6) . .
C23 C16 C19 110.8(5) . .
C21 C16 C19 108.8(7) . .
C23 C16 H16A 108.6 . .
C21 C16 H16A 108.6 . .
C19 C16 H16A 108.6 . .
C22 C17 C23 110.1(6) . .
C22 C17 C20 107.4(6) . .
C23 C17 C20 108.4(5) . .
C22 C17 H17A 110.3 . .
C23 C17 H17A 110.3 . .
C20 C17 H17A 110.3 . .
C14 C18 C15 110.3(6) . .
C14 C18 H18A 109.6 . .
C15 C18 H18A 109.6 . .
C14 C18 H18B 109.6 . .
C15 C18 H18B 109.6 . .
H18A C18 H18B 108.1 . .
C14 C19 C16 109.5(5) . .
C14 C19 H19A 109.8 . .
C16 C19 H19A 109.8 . .
C14 C19 H19B 109.8 . .
C16 C19 H19B 109.8 . .
H19A C19 H19B 108.2 . .
C14 C20 C17 112.3(5) . .
C14 C20 H20A 109.1 . .
C17 C20 H20A 109.1 . .
C14 C20 H20B 109.1 . .
C17 C20 H20B 109.1 . .
H20A C20 H20B 107.9 . .
C16 C21 C15 108.4(5) . .
C16 C21 H21A 110.0 . .
C15 C21 H21A 110.0 . .
C16 C21 H21B 110.0 . .
C15 C21 H21B 110.0 . .
H21A C21 H21B 108.4 . .
C15 C22 C17 110.1(6) . .
C15 C22 H22A 109.6 . .
C17 C22 H22A 109.6 . .
C15 C22 H22B 109.6 . .
C17 C22 H22B 109.6 . .
H22A C22 H22B 108.1 . .
C16 C23 C17 109.8(6) . .
C16 C23 H23A 109.7 . .
C17 C23 H23A 109.7 . .
C16 C23 H23B 109.7 . .
C17 C23 H23B 109.7 . .
H23A C23 H23B 108.2 . .
C25 C24 C26 112.0(7) . .
C25 C24 C12 114.1(6) . .
C26 C24 C12 110.3(7) . .
C25 C24 C27 106.4(7) . .
C26 C24 C27 106.0(8) . .
C12 C24 C27 107.5(6) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C24 C27 H27A 109.5 . .
C24 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C24 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N2 C28 C29 116.3(4) . .
N2 C28 H28A 108.2 . .
C29 C28 H28A 108.2 . .
N2 C28 H28B 108.2 . .
C29 C28 H28B 108.2 . .
H28A C28 H28B 107.4 . .
C34 C29 C30 120.7(4) . .
C34 C29 C28 119.7(4) . .
C30 C29 C28 119.4(4) . .
O2 C30 C29 116.1(4) . .
O2 C30 C31 123.2(4) . .
C29 C30 C31 120.8(4) . .
C32 C31 C30 115.8(4) . .
C32 C31 C35 120.9(4) . .
C30 C31 C35 123.3(4) . .
C33 C32 C31 124.7(4) . .
C33 C32 H32A 117.6 . .
C31 C32 H32A 117.6 . .
C32 C33 C34 117.1(4) . .
C32 C33 C45 121.2(4) . .
C34 C33 C45 121.7(4) . .
C29 C34 C33 120.9(4) . .
C29 C34 H34A 119.5 . .
C33 C34 H34A 119.5 . .
C41 C35 C31 112.2(4) . .
C41 C35 C40 110.0(5) . .
C31 C35 C40 109.2(4) . .
C41 C35 C39 107.7(5) . .
C31 C35 C39 111.8(4) . .
C40 C35 C39 105.8(5) . .
C44 C36 C42 110.0(7) . .
C44 C36 C40 108.1(6) . .
C42 C36 C40 109.3(6) . .
C44 C36 H36A 109.8 . .
C42 C36 H36A 109.8 . .
C40 C36 H36A 109.8 . .
C42 C37 C43 111.7(6) . .
C42 C37 C39 109.6(6) . .
C43 C37 C39 109.3(6) . .
C42 C37 H37A 108.7 . .
C43 C37 H37A 108.7 . .
C39 C37 H37A 108.7 . .
C44 C38 C43 109.9(7) . .
C44 C38 C41 108.3(6) . .
C43 C38 C41 106.7(6) . .
C44 C38 H38A 110.6 . .
C43 C38 H38A 110.6 . .
C41 C38 H38A 110.6 . .
C37 C39 C35 111.0(5) . .
C37 C39 H39A 109.4 . .
C35 C39 H39A 109.4 . .
C37 C39 H39B 109.4 . .
C35 C39 H39B 109.4 . .
H39A C39 H39B 108.0 . .
C36 C40 C35 110.9(5) . .
C36 C40 H40A 109.5 . .
C35 C40 H40A 109.5 . .
C36 C40 H40B 109.5 . .
C35 C40 H40B 109.5 . .
H40A C40 H40B 108.0 . .
C35 C41 C38 111.2(5) . .
C35 C41 H41A 109.4 . .
C38 C41 H41A 109.4 . .
C35 C41 H41B 109.4 . .
C38 C41 H41B 109.4 . .
H41A C41 H41B 108.0 . .
C37 C42 C36 109.2(6) . .
C37 C42 H42A 109.8 . .
C36 C42 H42A 109.8 . .
C37 C42 H42B 109.8 . .
C36 C42 H42B 109.8 . .
H42A C42 H42B 108.3 . .
C37 C43 C38 109.0(5) . .
C37 C43 H43A 109.9 . .
C38 C43 H43A 109.9 . .
C37 C43 H43B 109.9 . .
C38 C43 H43B 109.9 . .
H43A C43 H43B 108.3 . .
C38 C44 C36 112.3(6) . .
C38 C44 H44A 109.1 . .
C36 C44 H44A 109.1 . .
C38 C44 H44B 109.1 . .
C36 C44 H44B 109.1 . .
H44A C44 H44B 107.9 . .
C47A C45 C46A 117.8(17) . .
C46A C45 C48 142.7(11) . .
C47A C45 C46 136.9(9) . .
C46A C45 C46 62.9(13) . .
C48 C45 C46 110.6(8) . .
C47A C45 C33 109.1(8) . .
C46A C45 C33 107.0(10) . .
C48 C45 C33 109.1(6) . .
C46 C45 C33 111.2(5) . .
C47A C45 C47 70.6(13) . .
C46A C45 C47 49.3(13) . .
C48 C45 C47 107.1(7) . .
C46 C45 C47 106.6(7) . .
C33 C45 C47 112.1(5) . .
C47A C45 C48A 104.9(14) . .
C46A C45 C48A 107.5(14) . .
C48 C45 C48A 67.6(11) . .
C46 C45 C48A 46.4(9) . .
C33 C45 C48A 110.5(7) . .
C47 C45 C48A 136.1(8) . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
C45 C47 H47A 109.5 . .
C45 C47 H47B 109.5 . .
C45 C47 H47C 109.5 . .
C45 C48 H48A 109.5 . .
C45 C48 H48B 109.5 . .
C45 C48 H48C 109.5 . .
C45 C48A H48D 109.5 . .
C45 C48A H48E 109.5 . .
H48D C48A H48E 109.5 . .
C45 C48A H48F 109.5 . .
H48D C48A H48F 109.5 . .
H48E C48A H48F 109.5 . .
C45 C46A H46D 109.5 . .
C45 C46A H46E 109.5 . .
H46D C46A H46E 109.5 . .
C45 C46A H46F 109.5 . .
H46D C46A H46F 109.5 . .
H46E C46A H46F 109.5 . .
C45 C47A H47D 109.5 . .
C45 C47A H47E 109.5 . .
H47D C47A H47E 109.5 . .
C45 C47A H47F 109.5 . .
H47D C47A H47F 109.5 . .
H47E C47A H47F 109.5 . .
C50A C49 N3 122.3(12) . .
N3 C49 C50 113.0(6) . .
C50A C49 H49A 110.8 . .
N3 C49 H49A 109.0 . .
C50 C49 H49A 109.0 . .
C50A C49 H49B 96.6 . .
N3 C49 H49B 109.0 . .
C50 C49 H49B 109.0 . .
H49A C49 H49B 107.8 . .
C55 C50 C51 121.0(8) . .
C55 C50 C49 121.1(8) . .
C51 C50 C49 117.8(8) . .
C52 C51 C50 120.4(9) . .
C52 C51 O3 126.4(9) . .
C50 C51 O3 112.8(8) . .
C51 C52 C53 116.0(8) . .
C51 C52 C56 121.9(8) . .
C53 C52 C56 122.1(8) . .
C54 C53 C52 124.7(8) . .
C54 C53 H53A 117.7 . .
C52 C53 H53A 117.7 . .
C55 C54 C53 117.4(7) . .
C55 C54 C66 118.6(8) . .
C53 C54 C66 123.9(8) . .
C54 C55 C50 120.5(8) . .
C54 C55 H55A 119.7 . .
C50 C55 H55A 119.7 . .
C49 C50A C55A 117.3(15) . .
C49 C50A C51A 121.3(15) . .
C55A C50A C51A 121.4(15) . .
O3 C51A C52A 119.8(17) . .
O3 C51A C50A 119.0(17) . .
C52A C51A C50A 120.4(16) . .
C51A C52A C53A 115.5(14) . .
C51A C52A C56 125.5(14) . .
C53A C52A C56 118.7(15) . .
C54A C53A C52A 125.2(14) . .
C54A C53A H53B 117.4 . .
C52A C53A H53B 117.4 . .
C55A C54A C53A 117.3(12) . .
C55A C54A C66A 118.9(15) . .
C53A C54A C66A 122.8(15) . .
C54A C55A C50A 120.1(14) . .
C54A C55A H55B 119.9 . .
C50A C55A H55B 119.9 . .
C52 C56 C63 105.5(7) . .
C52 C56 C60 116.5(6) . .
C63 C56 C60 109.2(4) . .
C52 C56 C61 111.1(6) . .
C63 C56 C61 106.8(5) . .
C60 C56 C61 107.3(4) . .
C63 C56 C52A 114.2(11) . .
C60 C56 C52A 102.8(10) . .
C61 C56 C52A 116.1(8) . .
C64 C57 C62 110.5(5) . .
C64 C57 C60 110.2(5) . .
C62 C57 C60 108.6(5) . .
C64 C57 H57A 109.2 . .
C62 C57 H57A 109.2 . .
C60 C57 H57A 109.2 . .
C65 C58 C62 109.6(6) . .
C65 C58 C61 110.0(6) . .
C62 C58 C61 109.5(6) . .
C65 C58 H58A 109.3 . .
C62 C58 H58A 109.3 . .
C61 C58 H58A 109.3 . .
C63 C59 C64 108.9(5) . .
C63 C59 C65 109.4(6) . .
C64 C59 C65 109.4(6) . .
C63 C59 H59A 109.7 . .
C64 C59 H59A 109.7 . .
C65 C59 H59A 109.7 . .
C57 C60 C56 110.5(4) . .
C57 C60 H60A 109.6 . .
C56 C60 H60A 109.6 . .
C57 C60 H60B 109.6 . .
C56 C60 H60B 109.6 . .
H60A C60 H60B 108.1 . .
C58 C61 C56 110.5(5) . .
C58 C61 H61A 109.6 . .
C56 C61 H61A 109.6 . .
C58 C61 H61B 109.6 . .
C56 C61 H61B 109.6 . .
H61A C61 H61B 108.1 . .
C57 C62 C58 109.3(5) . .
C57 C62 H62A 109.8 . .
C58 C62 H62A 109.8 . .
C57 C62 H62B 109.8 . .
C58 C62 H62B 109.8 . .
H62A C62 H62B 108.3 . .
C59 C63 C56 111.7(5) . .
C59 C63 H63A 109.3 . .
C56 C63 H63A 109.3 . .
C59 C63 H63B 109.3 . .
C56 C63 H63B 109.3 . .
H63A C63 H63B 107.9 . .
C57 C64 C59 109.6(5) . .
C57 C64 H64A 109.8 . .
C59 C64 H64A 109.8 . .
C57 C64 H64B 109.8 . .
C59 C64 H64B 109.8 . .
H64A C64 H64B 108.2 . .
C58 C65 C59 109.4(5) . .
C58 C65 H65A 109.8 . .
C59 C65 H65A 109.8 . .
C58 C65 H65B 109.8 . .
C59 C65 H65B 109.8 . .
H65A C65 H65B 108.2 . .
C68 C66 C67 118.8(12) . .
C68 C66 C54 111.1(10) . .
C67 C66 C54 114.2(9) . .
C68 C66 C69 96.8(12) . .
C67 C66 C69 105.6(12) . .
C54 C66 C69 108.2(11) . .
C66 C67 H67A 109.5 . .
C66 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C66 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C66 C68 H68A 109.5 . .
C66 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C66 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C66 C69 H69A 109.5 . .
C66 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C66 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C54A C66A C67A 109(2) . .
C54A C66A C68A 111(2) . .
C67A C66A C68A 118(2) . .
C54A C66A C69A 100.9(19) . .
C67A C66A C69A 92(2) . .
C68A C66A C69A 124(2) . .
C66A C67A H67D 109.5 . .
C66A C67A H67E 109.5 . .
H67D C67A H67E 109.5 . .
C66A C67A H67F 109.5 . .
H67D C67A H67F 109.5 . .
H67E C67A H67F 109.5 . .
C66A C68A H68D 109.5 . .
C66A C68A H68E 109.5 . .
H68D C68A H68E 109.5 . .
C66A C68A H68F 109.5 . .
H68D C68A H68F 109.5 . .
H68E C68A H68F 109.5 . .
C66A C69A H69D 109.5 . .
C66A C69A H69E 109.5 . .
H69D C69A H69E 109.5 . .
C66A C69A H69F 109.5 . .
H69D C69A H69F 109.5 . .
H69E C69A H69F 109.5 . .
Si1 C70 H70A 109.5 . .
Si1 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
Si1 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
Si1 C71 H71A 109.5 . .
Si1 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
Si1 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
Si1 C72 H72A 109.5 . .
Si1 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
Si1 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
F15 Sb1 F12 92.6(4) . .
F15 Sb1 F14 91.5(4) . .
F12 Sb1 F14 175.8(4) . .
F15 Sb1 F13 90.4(2) . .
F12 Sb1 F13 89.3(2) . .
F14 Sb1 F13 91.8(3) . .
F15 Sb1 F11 89.1(2) . .
F12 Sb1 F11 88.7(3) . .
F14 Sb1 F11 90.2(3) . .
F13 Sb1 F11 177.9(3) . .
F15 Sb1 F16 179.2(3) . .
F12 Sb1 F16 87.4(4) . .
F14 Sb1 F16 88.5(4) . .
F13 Sb1 F16 90.4(2) . .
F11 Sb1 F16 90.1(2) . .
C106 C101 C102 118.9(17) . .
C106 C101 H101 120.6 . .
C102 C101 H101 120.6 . .
C101 C102 C103 124.4(17) . .
C101 C102 H102 117.8 . .
C103 C102 H102 117.8 . .
C104 C103 C102 112.6(18) . .
C104 C103 H103 123.7 . .
C102 C103 H103 123.7 . .
C103 C104 C105 123.3(17) . .
C103 C104 H104 118.3 . .
C105 C104 H104 118.3 . .
C104 C105 C106 119.6(15) . .
C104 C105 H105 120.2 . .
C106 C105 H105 120.2 . .
C101 C106 C105 120.4(16) . .
C101 C106 C107 118.3(17) . .
C105 C106 C107 120.9(15) . .
C106 C107 H10A 109.5 . .
C106 C107 H10B 109.5 . .
H10A C107 H10B 109.5 . .
C106 C107 H10C 109.5 . .
H10A C107 H10C 109.5 . .
H10B C107 H10C 109.5 . .
C202 C201 C206 120.0 . .
C202 C201 H201 120.0 . .
C206 C201 H201 120.0 . .
C201 C202 C203 120.0 . .
C201 C202 H202 120.0 . .
C203 C202 H202 120.0 . .
C204 C203 C202 120.0 . .
C204 C203 H203 120.0 . .
C202 C203 H203 120.0 . .
C203 C204 C205 120.0 . .
C203 C204 H204 120.0 . .
C205 C204 H204 120.0 . .
C206 C205 C204 120.0 . .
C206 C205 H205 120.0 . .
C204 C205 H205 120.0 . .
C205 C206 C201 120.0 . .
C205 C206 C207 125.7(11) . .
C201 C206 C207 114.2(11) . .
C206 C207 H20C 109.5 . .
C206 C207 H20D 109.5 . .
H20C C207 H20D 109.5 . .
C206 C207 H20E 109.5 . .
H20C C207 H20E 109.5 . .
H20D C207 H20E 109.5 . .
C212 C211 C216 120.0 . .
C212 C211 H211 120.0 . .
C216 C211 H211 120.0 . .
C211 C212 C213 120.0 . .
C211 C212 H212 120.0 . .
C213 C212 H212 120.0 . .
C212 C213 C214 120.0 . .
C212 C213 H213 120.0 . .
C214 C213 H213 120.0 . .
C215 C214 C213 120.0 . .
C215 C214 H214 120.0 . .
C213 C214 H214 120.0 . .
C214 C215 C216 120.0 . .
C214 C215 H215 120.0 . .
C216 C215 H215 120.0 . .
C217 C216 C215 126(2) . .
C217 C216 C211 114(2) . .
C215 C216 C211 120.0 . .
C216 C217 H21C 109.5 . .
C216 C217 H21D 109.5 . .
H21C C217 H21D 109.5 . .
C216 C217 H21E 109.5 . .
H21C C217 H21E 109.5 . .
H21D C217 H21E 109.5 . .
C302 C301 C306 120.0 . .
C302 C301 H301 120.0 . .
C306 C301 H301 120.0 . .
C301 C302 C303 120.0 . .
C301 C302 H302 120.0 . .
C303 C302 H302 120.0 . .
C302 C303 C304 120.0 . .
C302 C303 H303 120.0 . .
C304 C303 H303 120.0 . .
C303 C304 C305 120.0 . .
C303 C304 H304 120.0 . .
C305 C304 H304 120.0 . .
C304 C305 C306 120.0 . .
C304 C305 H305 120.0 . .
C306 C305 H305 120.0 . .
C305 C306 C301 120.0 . .
C305 C306 C307 121(3) . .
C301 C306 C307 118(3) . .
C306 C307 H30A 109.5 . .
C306 C307 H30B 109.5 . .
H30A C307 H30B 109.5 . .
C306 C307 H30C 109.5 . .
H30A C307 H30C 109.5 . .
H30B C307 H30C 109.5 . .
C402 C401 C401 93(3) . 3_676
C402 C401 H40C 113.1 . .
C401 C401 H40C 113.1 3_676 .
C402 C401 H40D 113.1 . .
C401 C401 H40D 113.1 3_676 .
H40C C401 H40D 110.5 . .
C401 C402 C403 118(3) . .
C401 C402 H40E 107.7 . .
C403 C402 H40E 107.7 . .
C401 C402 H40F 107.7 . .
C403 C402 H40F 107.7 . .
H40E C402 H40F 107.1 . .
C402 C403 H40G 109.5 . .
C402 C403 H40H 109.5 . .
H40G C403 H40H 109.5 . .
C402 C403 H40I 109.5 . .
H40G C403 H40I 109.5 . .
H40H C403 H40I 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 N4 1.921(4) .
U1 O1 2.122(3) .
U1 O2 2.131(3) .
U1 O3 2.146(3) .
U1 N3 2.572(4) .
U1 N2 2.602(4) .
U1 N1 2.636(4) .
Si1 N4 1.745(4) .
Si1 C71 1.851(6) .
Si1 C70 1.857(6) .
Si1 C72 1.860(6) .
O1 C9 1.362(6) .
O2 C30 1.370(5) .
O3 C51A 1.28(2) .
O3 C51 1.422(11) .
N1 C1 1.493(6) .
N1 C6 1.499(6) .
N1 C7 1.503(6) .
N2 C3 1.494(6) .
N2 C28 1.502(6) .
N2 C2 1.504(6) .
N3 C4 1.488(7) .
N3 C5 1.490(6) .
N3 C49 1.517(6) .
C1 C2 1.521(7) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.522(7) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.514(6) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.506(7) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C13 1.374(8) .
C8 C9 1.405(7) .
C9 C10 1.426(7) .
C10 C11 1.393(8) .
C10 C14 1.539(8) .
C11 C12 1.398(9) .
C11 H11A 0.9500 .
C12 C13 1.389(8) .
C12 C24 1.533(9) .
C13 H13A 0.9500 .
C14 C20 1.537(9) .
C14 C18 1.546(8) .
C14 C19 1.548(8) .
C15 C22 1.504(11) .
C15 C21 1.542(9) .
C15 C18 1.558(9) .
C15 H15A 1.0000 .
C16 C23 1.494(11) .
C16 C21 1.530(9) .
C16 C19 1.549(10) .
C16 H16A 1.0000 .
C17 C22 1.526(10) .
C17 C23 1.540(9) .
C17 C20 1.550(8) .
C17 H17A 1.0000 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.493(9) .
C24 C26 1.496(10) .
C24 C27 1.605(12) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.508(6) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C34 1.380(7) .
C29 C30 1.398(6) .
C30 C31 1.418(6) .
C31 C32 1.398(7) .
C31 C35 1.541(6) .
C32 C33 1.392(7) .
C32 H32A 0.9500 .
C33 C34 1.398(7) .
C33 C45 1.546(7) .
C34 H34A 0.9500 .
C35 C41 1.508(8) .
C35 C40 1.544(7) .
C35 C39 1.546(7) .
C36 C44 1.497(12) .
C36 C42 1.529(10) .
C36 C40 1.538(9) .
C36 H36A 1.0000 .
C37 C42 1.488(10) .
C37 C43 1.495(11) .
C37 C39 1.541(8) .
C37 H37A 1.0000 .
C38 C44 1.495(11) .
C38 C43 1.562(10) .
C38 C41 1.573(9) .
C38 H38A 1.0000 .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C47A 1.45(2) .
C45 C46A 1.48(2) .
C45 C48 1.509(12) .
C45 C46 1.518(10) .
C45 C47 1.579(10) .
C45 C48A 1.608(18) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C48A H48D 0.9800 .
C48A H48E 0.9800 .
C48A H48F 0.9800 .
C46A H46D 0.9800 .
C46A H46E 0.9800 .
C46A H46F 0.9800 .
C47A H47D 0.9800 .
C47A H47E 0.9800 .
C47A H47F 0.9800 .
C49 C50A 1.32(2) .
C49 C50 1.599(12) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 C55 1.397(10) .
C50 C51 1.413(10) .
C51 C52 1.404(11) .
C52 C53 1.412(10) .
C52 C56 1.482(12) .
C53 C54 1.404(11) .
C53 H53A 0.9500 .
C54 C55 1.380(12) .
C54 C66 1.520(13) .
C55 H55A 0.9500 .
C50A C55A 1.397(15) .
C50A C51A 1.411(15) .
C51A C52A 1.402(16) .
C52A C53A 1.411(15) .
C52A C56 1.66(2) .
C53A C54A 1.401(15) .
C53A H53B 0.9500 .
C54A C55A 1.378(16) .
C54A C66A 1.55(3) .
C55A H55B 0.9500 .
C56 C63 1.537(8) .
C56 C60 1.539(7) .
C56 C61 1.555(7) .
C57 C64 1.508(10) .
C57 C62 1.524(8) .
C57 C60 1.539(8) .
C57 H57A 1.0000 .
C58 C65 1.509(10) .
C58 C62 1.524(9) .
C58 C61 1.541(9) .
C58 H58A 1.0000 .
C59 C63 1.524(9) .
C59 C64 1.530(9) .
C59 C65 1.535(9) .
C59 H59A 1.0000 .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C64 H64A 0.9900 .
C64 H64B 0.9900 .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 C68 1.423(15) .
C66 C67 1.465(13) .
C66 C69 1.669(17) .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C66A C67A 1.56(3) .
C66A C68A 1.65(4) .
C66A C69A 1.88(4) .
C67A H67D 0.9800 .
C67A H67E 0.9800 .
C67A H67F 0.9800 .
C68A H68D 0.9800 .
C68A H68E 0.9800 .
C68A H68F 0.9800 .
C69A H69D 0.9800 .
C69A H69E 0.9800 .
C69A H69F 0.9800 .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
Sb1 F15 1.812(6) .
Sb1 F12 1.845(6) .
Sb1 F14 1.858(7) .
Sb1 F13 1.866(4) .
Sb1 F11 1.869(4) .
Sb1 F16 1.873(6) .
C101 C106 1.305(17) .
C101 C102 1.354(18) .
C101 H101 0.9500 .
C102 C103 1.41(2) .
C102 H102 0.9500 .
C103 C104 1.352(18) .
C103 H103 0.9500 .
C104 C105 1.366(18) .
C104 H104 0.9500 .
C105 C106 1.367(17) .
C105 H105 0.9500 .
C106 C107 1.496(19) .
C107 H10A 0.9800 .
C107 H10B 0.9800 .
C107 H10C 0.9800 .
C201 C202 1.3900 .
C201 C206 1.3900 .
C201 H201 0.9500 .
C202 C203 1.3900 .
C202 H202 0.9500 .
C203 C204 1.3900 .
C203 H203 0.9500 .
C204 C205 1.3900 .
C204 H204 0.9500 .
C205 C206 1.3900 .
C205 H205 0.9500 .
C206 C207 1.52(2) .
C207 H20C 0.9800 .
C207 H20D 0.9800 .
C207 H20E 0.9800 .
C211 C212 1.3900 .
C211 C216 1.3900 .
C211 H211 0.9500 .
C212 C213 1.3900 .
C212 H212 0.9500 .
C213 C214 1.3900 .
C213 H213 0.9500 .
C214 C215 1.3900 .
C214 H214 0.9500 .
C215 C216 1.3900 .
C215 H215 0.9500 .
C216 C217 1.38(4) .
C217 H21C 0.9800 .
C217 H21D 0.9800 .
C217 H21E 0.9800 .
C301 C302 1.3900 .
C301 C306 1.3900 .
C301 H301 0.9500 .
C302 C303 1.3900 .
C302 H302 0.9500 .
C303 C304 1.3900 .
C303 H303 0.9500 .
C304 C305 1.3900 .
C304 H304 0.9500 .
C305 C306 1.3900 .
C305 H305 0.9500 .
C306 C307 1.60(4) .
C307 H30A 0.9800 .
C307 H30B 0.9800 .
C307 H30C 0.9800 .
C401 C402 1.40(4) .
C401 C401 1.56(2) 3_676
C401 H40C 0.9900 .
C401 H40D 0.9900 .
C402 C403 1.55(4) .
C402 H40E 0.9900 .
C402 H40F 0.9900 .
C403 H40G 0.9800 .
C403 H40H 0.9800 .
C403 H40I 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
N4 U1 O1 C9 113.3(6) . . . .
O2 U1 O1 C9 28.5(6) . . . .
O3 U1 O1 C9 -164.5(6) . . . .
N3 U1 O1 C9 -104.6(6) . . . .
N2 U1 O1 C9 -60.6(6) . . . .
N1 U1 O1 C9 -35.7(6) . . . .
N4 U1 O2 C30 121.7(6) . . . .
O1 U1 O2 C30 -154.4(5) . . . .
O3 U1 O2 C30 38.0(6) . . . .
N3 U1 O2 C30 -54.1(6) . . . .
N2 U1 O2 C30 -26.5(5) . . . .
N1 U1 O2 C30 -94.9(5) . . . .
N4 U1 O3 C51A 113(4) . . . .
O1 U1 O3 C51A 31(4) . . . .
O2 U1 O3 C51A -162(4) . . . .
N3 U1 O3 C51A -32(4) . . . .
N2 U1 O3 C51A -101(4) . . . .
N1 U1 O3 C51A -61(4) . . . .
N4 U1 O3 C51 120(2) . . . .
O1 U1 O3 C51 37(2) . . . .
O2 U1 O3 C51 -156(2) . . . .
N3 U1 O3 C51 -26(2) . . . .
N2 U1 O3 C51 -94(2) . . . .
N1 U1 O3 C51 -55(2) . . . .
N4 U1 N1 C1 110.9(3) . . . .
O1 U1 N1 C1 165.4(3) . . . .
O2 U1 N1 C1 40.6(3) . . . .
O3 U1 N1 C1 -77.4(3) . . . .
N3 U1 N1 C1 -108.2(3) . . . .
N2 U1 N1 C1 -34.9(3) . . . .
N4 U1 N1 C6 -125.9(3) . . . .
O1 U1 N1 C6 -71.5(3) . . . .
O2 U1 N1 C6 163.8(3) . . . .
O3 U1 N1 C6 45.7(4) . . . .
N3 U1 N1 C6 15.0(3) . . . .
N2 U1 N1 C6 88.3(3) . . . .
N4 U1 N1 C7 -2.2(4) . . . .
O1 U1 N1 C7 52.3(3) . . . .
O2 U1 N1 C7 -72.5(3) . . . .
O3 U1 N1 C7 169.5(3) . . . .
N3 U1 N1 C7 138.7(3) . . . .
N2 U1 N1 C7 -148.0(3) . . . .
N4 U1 N2 C3 105.0(3) . . . .
O1 U1 N2 C3 -85.1(3) . . . .
O2 U1 N2 C3 164.7(3) . . . .
O3 U1 N2 C3 39.0(3) . . . .
N3 U1 N2 C3 -36.9(3) . . . .
N1 U1 N2 C3 -110.6(3) . . . .
N4 U1 N2 C28 -9.0(4) . . . .
O1 U1 N2 C28 160.9(2) . . . .
O2 U1 N2 C28 50.7(2) . . . .
O3 U1 N2 C28 -75.0(2) . . . .
N3 U1 N2 C28 -150.9(3) . . . .
N1 U1 N2 C28 135.3(3) . . . .
N4 U1 N2 C2 -130.8(3) . . . .
O1 U1 N2 C2 39.1(4) . . . .
O2 U1 N2 C2 -71.1(3) . . . .
O3 U1 N2 C2 163.2(3) . . . .
N3 U1 N2 C2 87.3(3) . . . .
N1 U1 N2 C2 13.5(3) . . . .
N4 U1 N3 C4 -128.7(3) . . . .
O1 U1 N3 C4 161.3(3) . . . .
O2 U1 N3 C4 44.9(4) . . . .
O3 U1 N3 C4 -67.9(3) . . . .
N2 U1 N3 C4 16.1(3) . . . .
N1 U1 N3 C4 89.1(3) . . . .
N4 U1 N3 C5 105.6(3) . . . .
O1 U1 N3 C5 35.6(3) . . . .
O2 U1 N3 C5 -80.8(3) . . . .
O3 U1 N3 C5 166.4(3) . . . .
N2 U1 N3 C5 -109.6(3) . . . .
N1 U1 N3 C5 -36.6(3) . . . .
N4 U1 N3 C49 -7.9(4) . . . .
O1 U1 N3 C49 -77.8(3) . . . .
O2 U1 N3 C49 165.8(3) . . . .
O3 U1 N3 C49 53.0(3) . . . .
N2 U1 N3 C49 137.0(3) . . . .
N1 U1 N3 C49 -150.1(3) . . . .
C6 N1 C1 C2 -70.1(5) . . . .
C7 N1 C1 C2 168.5(4) . . . .
U1 N1 C1 C2 55.6(4) . . . .
C3 N2 C2 C1 133.1(4) . . . .
C28 N2 C2 C1 -106.7(4) . . . .
U1 N2 C2 C1 9.7(5) . . . .
N1 C1 C2 N2 -44.2(5) . . . .
C28 N2 C3 C4 165.2(4) . . . .
C2 N2 C3 C4 -72.8(5) . . . .
U1 N2 C3 C4 55.9(4) . . . .
C5 N3 C4 C3 131.6(4) . . . .
C49 N3 C4 C3 -106.7(5) . . . .
U1 N3 C4 C3 6.9(5) . . . .
N2 C3 C4 N3 -42.5(5) . . . .
C4 N3 C5 C6 -71.9(5) . . . .
C49 N3 C5 C6 164.4(4) . . . .
U1 N3 C5 C6 57.4(4) . . . .
C1 N1 C6 C5 130.8(4) . . . .
C7 N1 C6 C5 -111.6(5) . . . .
U1 N1 C6 C5 8.6(5) . . . .
N3 C5 C6 N1 -44.2(6) . . . .
C1 N1 C7 C8 171.4(4) . . . .
C6 N1 C7 C8 51.3(6) . . . .
U1 N1 C7 C8 -73.9(5) . . . .
N1 C7 C8 C13 -141.7(5) . . . .
N1 C7 C8 C9 45.2(7) . . . .
U1 O1 C9 C8 14.1(9) . . . .
U1 O1 C9 C10 -167.1(4) . . . .
C13 C8 C9 O1 -176.0(5) . . . .
C7 C8 C9 O1 -3.0(7) . . . .
C13 C8 C9 C10 5.1(8) . . . .
C7 C8 C9 C10 178.1(5) . . . .
O1 C9 C10 C11 175.1(5) . . . .
C8 C9 C10 C11 -6.1(8) . . . .
O1 C9 C10 C14 -5.4(8) . . . .
C8 C9 C10 C14 173.5(5) . . . .
C9 C10 C11 C12 3.3(9) . . . .
C14 C10 C11 C12 -176.2(6) . . . .
C10 C11 C12 C13 0.6(10) . . . .
C10 C11 C12 C24 -177.0(7) . . . .
C9 C8 C13 C12 -1.0(9) . . . .
C7 C8 C13 C12 -174.1(6) . . . .
C11 C12 C13 C8 -1.9(10) . . . .
C24 C12 C13 C8 175.8(7) . . . .
C11 C10 C14 C20 117.6(6) . . . .
C9 C10 C14 C20 -61.9(6) . . . .
C11 C10 C14 C18 -0.3(8) . . . .
C9 C10 C14 C18 -179.9(5) . . . .
C11 C10 C14 C19 -121.3(6) . . . .
C9 C10 C14 C19 59.2(7) . . . .
C20 C14 C18 C15 57.7(6) . . . .
C10 C14 C18 C15 177.0(5) . . . .
C19 C14 C18 C15 -60.0(7) . . . .
C22 C15 C18 C14 -59.5(7) . . . .
C21 C15 C18 C14 61.3(8) . . . .
C20 C14 C19 C16 -55.1(6) . . . .
C10 C14 C19 C16 -175.7(5) . . . .
C18 C14 C19 C16 60.3(7) . . . .
C23 C16 C19 C14 59.8(7) . . . .
C21 C16 C19 C14 -62.9(7) . . . .
C10 C14 C20 C17 177.6(5) . . . .
C18 C14 C20 C17 -60.5(6) . . . .
C19 C14 C20 C17 55.7(6) . . . .
C22 C17 C20 C14 61.7(7) . . . .
C23 C17 C20 C14 -57.2(7) . . . .
C23 C16 C21 C15 -59.2(8) . . . .
C19 C16 C21 C15 63.1(8) . . . .
C22 C15 C21 C16 59.0(8) . . . .
C18 C15 C21 C16 -61.9(9) . . . .
C21 C15 C22 C17 -59.5(7) . . . .
C18 C15 C22 C17 60.1(7) . . . .
C23 C17 C22 C15 58.1(7) . . . .
C20 C17 C22 C15 -59.7(7) . . . .
C21 C16 C23 C17 58.7(7) . . . .
C19 C16 C23 C17 -62.4(7) . . . .
C22 C17 C23 C16 -57.4(7) . . . .
C20 C17 C23 C16 59.9(7) . . . .
C13 C12 C24 C25 176.1(8) . . . .
C11 C12 C24 C25 -6.4(12) . . . .
C13 C12 C24 C26 -56.7(11) . . . .
C11 C12 C24 C26 120.8(8) . . . .
C13 C12 C24 C27 58.4(8) . . . .
C11 C12 C24 C27 -124.1(7) . . . .
C3 N2 C28 C29 165.7(4) . . . .
C2 N2 C28 C29 45.0(5) . . . .
U1 N2 C28 C29 -80.7(4) . . . .
N2 C28 C29 C34 -128.8(5) . . . .
N2 C28 C29 C30 56.8(6) . . . .
U1 O2 C30 C29 5.6(8) . . . .
U1 O2 C30 C31 -175.0(4) . . . .
C34 C29 C30 O2 178.9(4) . . . .
C28 C29 C30 O2 -6.8(6) . . . .
C34 C29 C30 C31 -0.6(7) . . . .
C28 C29 C30 C31 173.7(4) . . . .
O2 C30 C31 C32 -178.8(4) . . . .
C29 C30 C31 C32 0.6(7) . . . .
O2 C30 C31 C35 2.8(7) . . . .
C29 C30 C31 C35 -177.8(4) . . . .
C30 C31 C32 C33 -0.5(7) . . . .
C35 C31 C32 C33 178.0(5) . . . .
C31 C32 C33 C34 0.3(8) . . . .
C31 C32 C33 C45 -178.1(5) . . . .
C30 C29 C34 C33 0.4(7) . . . .
C28 C29 C34 C33 -173.9(5) . . . .
C32 C33 C34 C29 -0.3(7) . . . .
C45 C33 C34 C29 178.1(5) . . . .
C32 C31 C35 C41 115.2(6) . . . .
C30 C31 C35 C41 -66.4(6) . . . .
C32 C31 C35 C40 -122.6(5) . . . .
C30 C31 C35 C40 55.8(6) . . . .
C32 C31 C35 C39 -5.9(7) . . . .
C30 C31 C35 C39 172.5(5) . . . .
C42 C37 C39 C35 61.9(8) . . . .
C43 C37 C39 C35 -60.8(7) . . . .
C41 C35 C39 C37 58.3(7) . . . .
C31 C35 C39 C37 -178.0(5) . . . .
C40 C35 C39 C37 -59.3(7) . . . .
C44 C36 C40 C35 58.6(7) . . . .
C42 C36 C40 C35 -61.1(9) . . . .
C41 C35 C40 C36 -56.7(7) . . . .
C31 C35 C40 C36 179.8(5) . . . .
C39 C35 C40 C36 59.3(7) . . . .
C31 C35 C41 C38 177.0(5) . . . .
C40 C35 C41 C38 55.2(7) . . . .
C39 C35 C41 C38 -59.6(7) . . . .
C44 C38 C41 C35 -56.7(8) . . . .
C43 C38 C41 C35 61.6(8) . . . .
C43 C37 C42 C36 60.8(8) . . . .
C39 C37 C42 C36 -60.5(8) . . . .
C44 C36 C42 C37 -58.2(8) . . . .
C40 C36 C42 C37 60.4(9) . . . .
C42 C37 C43 C38 -59.2(7) . . . .
C39 C37 C43 C38 62.4(7) . . . .
C44 C38 C43 C37 55.4(8) . . . .
C41 C38 C43 C37 -61.9(8) . . . .
C43 C38 C44 C36 -55.7(8) . . . .
C41 C38 C44 C36 60.5(8) . . . .
C42 C36 C44 C38 57.3(8) . . . .
C40 C36 C44 C38 -62.0(7) . . . .
C32 C33 C45 C47A 113.8(15) . . . .
C34 C33 C45 C47A -64.5(16) . . . .
C32 C33 C45 C46A -117.7(15) . . . .
C34 C33 C45 C46A 64.0(15) . . . .
C32 C33 C45 C48 71.5(9) . . . .
C34 C33 C45 C48 -106.8(8) . . . .
C32 C33 C45 C46 -50.8(9) . . . .
C34 C33 C45 C46 130.9(8) . . . .
C32 C33 C45 C47 -170.0(7) . . . .
C34 C33 C45 C47 11.7(8) . . . .
C32 C33 C45 C48A -1.0(13) . . . .
C34 C33 C45 C48A -179.3(12) . . . .
C4 N3 C49 C50A 47.5(14) . . . .
C5 N3 C49 C50A 170.2(13) . . . .
U1 N3 C49 C50A -76.5(13) . . . .
C4 N3 C49 C50 37.4(7) . . . .
C5 N3 C49 C50 160.1(6) . . . .
U1 N3 C49 C50 -86.7(6) . . . .
C50A C49 C50 C55 102(5) . . . .
N3 C49 C50 C55 -119.4(11) . . . .
C50A C49 C50 C51 -74(5) . . . .
N3 C49 C50 C51 63.6(15) . . . .
C55 C50 C51 C52 0(3) . . . .
C49 C50 C51 C52 177.1(16) . . . .
C55 C50 C51 O3 172.9(15) . . . .
C49 C50 C51 O3 -10(2) . . . .
C51A O3 C51 C52 -158(23) . . . .
U1 O3 C51 C52 177.0(8) . . . .
C51A O3 C51 C50 30(19) . . . .
U1 O3 C51 C50 5(4) . . . .
C50 C51 C52 C53 -2(3) . . . .
O3 C51 C52 C53 -173(2) . . . .
C50 C51 C52 C56 178.3(16) . . . .
O3 C51 C52 C56 7(3) . . . .
C51 C52 C53 C54 1(2) . . . .
C56 C52 C53 C54 -178.7(11) . . . .
C52 C53 C54 C55 0.6(19) . . . .
C52 C53 C54 C66 -174.7(13) . . . .
C53 C54 C55 C50 -2.2(18) . . . .
C66 C54 C55 C50 173.4(12) . . . .
C51 C50 C55 C54 2(2) . . . .
C49 C50 C55 C54 -175.0(11) . . . .
N3 C49 C50A C55A -137.1(18) . . . .
C50 C49 C50A C55A -90(5) . . . .
N3 C49 C50A C51A 41(3) . . . .
C50 C49 C50A C51A 87(6) . . . .
C51 O3 C51A C52A 32(17) . . . .
U1 O3 C51A C52A -168.5(15) . . . .
C51 O3 C51A C50A -159(24) . . . .
U1 O3 C51A C50A 1(7) . . . .
C49 C50A C51A O3 10(5) . . . .
C55A C50A C51A O3 -172(4) . . . .
C49 C50A C51A C52A -180(3) . . . .
C55A C50A C51A C52A -2(5) . . . .
O3 C51A C52A C53A 170(4) . . . .
C50A C51A C52A C53A 0(5) . . . .
O3 C51A C52A C56 -17(6) . . . .
C50A C51A C52A C56 174(3) . . . .
C51A C52A C53A C54A 2(4) . . . .
C56 C52A C53A C54A -172(2) . . . .
C52A C53A C54A C55A -2(4) . . . .
C52A C53A C54A C66A -171(2) . . . .
C53A C54A C55A C50A 0(3) . . . .
C66A C54A C55A C50A 169(2) . . . .
C49 C50A C55A C54A 180(2) . . . .
C51A C50A C55A C54A 2(4) . . . .
C51 C52 C56 C63 -76.9(15) . . . .
C53 C52 C56 C63 103.0(12) . . . .
C51 C52 C56 C60 44.4(17) . . . .
C53 C52 C56 C60 -135.7(10) . . . .
C51 C52 C56 C61 167.6(14) . . . .
C53 C52 C56 C61 -12.5(14) . . . .
C51 C52 C56 C52A 54(5) . . . .
C53 C52 C56 C52A -126(6) . . . .
C51A C52A C56 C52 -106(6) . . . .
C53A C52A C56 C52 68(4) . . . .
C51A C52A C56 C63 -53(3) . . . .
C53A C52A C56 C63 121(2) . . . .
C51A C52A C56 C60 66(3) . . . .
C53A C52A C56 C60 -121(2) . . . .
C51A C52A C56 C61 -178(3) . . . .
C53A C52A C56 C61 -4(3) . . . .
C64 C57 C60 C56 58.7(6) . . . .
C62 C57 C60 C56 -62.4(6) . . . .
C52 C56 C60 C57 -174.8(7) . . . .
C63 C56 C60 C57 -55.4(6) . . . .
C61 C56 C60 C57 60.0(6) . . . .
C52A C56 C60 C57 -177.1(10) . . . .
C65 C58 C61 C56 -60.7(7) . . . .
C62 C58 C61 C56 59.7(7) . . . .
C52 C56 C61 C58 173.1(8) . . . .
C63 C56 C61 C58 58.5(6) . . . .
C60 C56 C61 C58 -58.5(7) . . . .
C52A C56 C61 C58 -172.8(12) . . . .
C64 C57 C62 C58 -59.4(7) . . . .
C60 C57 C62 C58 61.5(7) . . . .
C65 C58 C62 C57 60.0(7) . . . .
C61 C58 C62 C57 -60.7(7) . . . .
C64 C59 C63 C56 -59.2(6) . . . .
C65 C59 C63 C56 60.4(6) . . . .
C52 C56 C63 C59 -177.5(6) . . . .
C60 C56 C63 C59 56.6(6) . . . .
C61 C56 C63 C59 -59.1(6) . . . .
C52A C56 C63 C59 171.1(9) . . . .
C62 C57 C64 C59 58.9(6) . . . .
C60 C57 C64 C59 -61.0(6) . . . .
C63 C59 C64 C57 60.7(7) . . . .
C65 C59 C64 C57 -58.8(7) . . . .
C62 C58 C65 C59 -60.6(7) . . . .
C61 C58 C65 C59 59.8(7) . . . .
C63 C59 C65 C58 -59.3(7) . . . .
C64 C59 C65 C58 59.9(7) . . . .
C55 C54 C66 C68 49.6(19) . . . .
C53 C54 C66 C68 -135.1(15) . . . .
C55 C54 C66 C67 -172.7(13) . . . .
C53 C54 C66 C67 3(2) . . . .
C55 C54 C66 C69 -55.5(16) . . . .
C53 C54 C66 C69 119.8(14) . . . .
C55A C54A C66A C67A 157(2) . . . .
C53A C54A C66A C67A -35(3) . . . .
C55A C54A C66A C68A -72(3) . . . .
C53A C54A C66A C68A 97(3) . . . .
C55A C54A C66A C69A 61(3) . . . .
C53A C54A C66A C69A -131(2) . . . .
C106 C101 C102 C103 -1(3) . . . .
C101 C102 C103 C104 8(3) . . . .
C102 C103 C104 C105 -7(3) . . . .
C103 C104 C105 C106 0(2) . . . .
C102 C101 C106 C105 -7(2) . . . .
C102 C101 C106 C107 164.6(14) . . . .
C104 C105 C106 C101 8(2) . . . .
C104 C105 C106 C107 -164.1(14) . . . .
C206 C201 C202 C203 0.0 . . . .
C201 C202 C203 C204 0.0 . . . .
C202 C203 C204 C205 0.0 . . . .
C203 C204 C205 C206 0.0 . . . .
C204 C205 C206 C201 0.0 . . . .
C204 C205 C206 C207 -175.5(11) . . . .
C202 C201 C206 C205 0.0 . . . .
C202 C201 C206 C207 176.0(10) . . . .
C216 C211 C212 C213 0.0 . . . .
C211 C212 C213 C214 0.0 . . . .
C212 C213 C214 C215 0.0 . . . .
C213 C214 C215 C216 0.0 . . . .
C214 C215 C216 C217 172(2) . . . .
C214 C215 C216 C211 0.0 . . . .
C212 C211 C216 C217 -173.2(19) . . . .
C212 C211 C216 C215 0.0 . . . .
C306 C301 C302 C303 0.0 . . . .
C301 C302 C303 C304 0.0 . . . .
C302 C303 C304 C305 0.0 . . . .
C303 C304 C305 C306 0.0 . . . .
C304 C305 C306 C301 0.0 . . . .
C304 C305 C306 C307 168(3) . . . .
C302 C301 C306 C305 0.0 . . . .
C302 C301 C306 C307 -169(2) . . . .
C401 C401 C402 C403 173.3(15) 3_676 . . .
