#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:49:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179865 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/61/7016189.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_7016189
loop_
_publ_author_name
'Sulway, Scott A.'
'Layfield, Richard A.'
'Bodensteiner, Michael'
'Scheuermayer, Sabine'
'Scheer, Manfred'
'Zabel, Manfred'
_publ_section_title
;
 Benzotriazolate cage complexes of tin(ii) and lithium:
 halide-influenced serendipitous assembly.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7559
_journal_page_last               7563
_journal_paper_doi               10.1039/c1dt10400d
_journal_volume                  40
_journal_year                    2011
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C120 H194 Br4 Li8 N44 Si16 Sn8, 3(C7 H8)'
_chemical_formula_sum            'C141 H218 Br4 Li8 N44 Si16 Sn8'
_chemical_formula_weight         4303.84
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                92.659(1)
_cell_angle_beta                 95.907(1)
_cell_angle_gamma                111.672(2)
_cell_formula_units_Z            2
_cell_length_a                   19.1397(3)
_cell_length_b                   20.9948(3)
_cell_length_c                   26.6822(5)
_cell_measurement_reflns_used    35988
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      75.8282
_cell_measurement_theta_min      3.0905
_cell_volume                     9869.6(3)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_molecular_graphics    'SXGRAPH (Farrugia, 1999)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 (Altomare, 1999)'
_diffrn_ambient_temperature      123(1)
_diffrn_detector_area_resol_mean 10.3546
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'SuperNova,Single source at offset,Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0769
_diffrn_reflns_av_sigmaI/netI    0.0978
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            82702
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        76.01
_diffrn_reflns_theta_max         76.01
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    10.213
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4320
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.031
_refine_diff_density_min         -3.040
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2071
_refine_ls_number_reflns         39316
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1027
_refine_ls_R_factor_gt           0.0614
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0900P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1542
_refine_ls_wR_factor_ref         0.1695
_reflns_number_gt                25432
_reflns_number_total             39316
_reflns_threshold_expression     >2σ(i)
_cod_data_source_file            c1dt10400d.txt
_cod_data_source_block           SnBr
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               7016189
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
Sn1 Sn Uani 0.13618(3) -0.06189(3) 0.85911(2) 1.000 0.0415(2) . .
Sn2 Sn Uani 0.37122(3) -0.03441(2) 0.67852(2) 1.000 0.0372(1) . .
Sn3 Sn Uani 0.87739(3) 0.49343(3) 0.66983(2) 1.000 0.0368(1) . .
Sn4 Sn Uani 0.76379(3) 0.33160(2) 0.94726(2) 1.000 0.0326(1) . .
Sn5 Sn Uani 0.54774(3) -0.05654(2) 0.75424(2) 1.000 0.0314(1) . .
Sn6 Sn Uani 0.39409(4) 0.43445(3) 0.71270(2) 1.000 0.0571(2) . .
Sn7 Sn Uani 0.68356(3) 0.45347(2) 0.87416(2) 1.000 0.0346(1) . .
Sn8 Sn Uani 0.22942(3) 0.19904(3) 0.65680(2) 1.000 0.0530(2) . .
Br1 Br Uani 0.19204(5) -0.04197(5) 0.76977(3) 1.000 0.0517(3) . .
Br2 Br Uani 0.40494(4) 0.15456(4) 0.77977(3) 1.000 0.0370(2) . .
Br3 Br Uani 0.59512(4) 0.32205(4) 0.75737(3) 1.000 0.0328(2) . .
Br4 Br Uani 0.79825(4) 0.51469(4) 0.74321(3) 1.000 0.0407(2) . .
Si1 Si Uani 0.32591(17) -0.18481(11) 0.62456(9) 1.000 0.0562(8) . .
Si2 Si Uani 0.34415(14) -0.07709(12) 0.54983(8) 1.000 0.0470(7) . .
Si3 Si Uani 0.95086(14) 0.60447(12) 0.59340(9) 1.000 0.0515(8) . .
Si4 Si Uani 0.79230(13) 0.59080(11) 0.60900(8) 1.000 0.0453(7) . .
Si5 Si Uani 0.87405(11) 0.33284(11) 1.04369(7) 1.000 0.0381(6) . .
Si6 Si Uani 0.85005(11) 0.21496(11) 0.96328(7) 1.000 0.0372(6) . .
Si7 Si Uani 0.62895(12) -0.16109(11) 0.78338(8) 1.000 0.0380(6) . .
Si8 Si Uani 0.65009(11) -0.05166(10) 0.86852(7) 1.000 0.0350(6) . .
Si9 Si Uani 0.31902(17) 0.54050(14) 0.68045(11) 1.000 0.0644(10) . .
Si10 Si Uani 0.35947(14) 0.54792(12) 0.79512(9) 1.000 0.0510(8) . .
Si11 Si Uani 0.80141(12) 0.58166(11) 0.94601(8) 1.000 0.0434(7) . .
Si12 Si Uani 0.63787(12) 0.56660(11) 0.94909(7) 1.000 0.0403(6) . .
Si13 Si Uani 0.08332(16) 0.20564(16) 0.59147(16) 1.000 0.0827(13) . .
Si14 Si Uani 0.17384(15) 0.14720(13) 0.52964(11) 1.000 0.0607(8) . .
Si15 Si Uani -0.02138(13) -0.06173(15) 0.88709(10) 1.000 0.0588(9) . .
Si16 Si Uani 0.0411(2) 0.0321(2) 0.80610(17) 1.000 0.1033(16) . .
N1 N Uani 0.2990(4) 0.0804(3) 0.6568(2) 1.000 0.043(2) . .
N2 N Uani 0.2854(4) 0.0135(3) 0.6501(2) 1.000 0.0404(19) . .
N3 N Uani 0.3456(4) -0.1005(3) 0.6116(2) 1.000 0.046(2) . .
N4 N Uani 0.4704(3) 0.0528(3) 0.6543(2) 1.000 0.0360(17) . .
N5 N Uani 0.4745(3) 0.1184(3) 0.6651(2) 1.000 0.0389(17) . .
N6 N Uani 0.5426(3) 0.1634(3) 0.6588(2) 1.000 0.0368(17) . .
N7 N Uani 0.8686(3) 0.5646(3) 0.6193(2) 1.000 0.0386(17) . .
N8 N Uani 0.7674(3) 0.4083(3) 0.6339(2) 1.000 0.0347(17) . .
N9 N Uani 0.7213(3) 0.3683(3) 0.6630(2) 1.000 0.0357(17) . .
N10 N Uani 0.6595(3) 0.3223(3) 0.6356(2) 1.000 0.0357(17) . .
N11 N Uani 0.8000(3) 0.3575(3) 0.7932(2) 1.000 0.0350(17) . .
N12 N Uani 0.7610(3) 0.3271(3) 0.8293(2) 1.000 0.0341(17) . .
N13 N Uani 0.8073(3) 0.3313(3) 0.87169(18) 1.000 0.0304(16) . .
N14 N Uani 0.8322(3) 0.2858(3) 0.9855(2) 1.000 0.0338(17) . .
N15 N Uani 0.6637(3) 0.2334(3) 0.92407(19) 1.000 0.0317(17) . .
N16 N Uani 0.6259(3) 0.2195(3) 0.87666(19) 1.000 0.0296(17) . .
N17 N Uani 0.5603(3) 0.1662(3) 0.87528(19) 1.000 0.0284(17) . .
N18 N Uani 0.6010(3) 0.1089(3) 0.7760(2) 1.000 0.0306(17) . .
N19 N Uani 0.6212(3) 0.0551(3) 0.7659(2) 1.000 0.0309(17) . .
N20 N Uani 0.6130(3) -0.0910(3) 0.8071(2) 1.000 0.0342(17) . .
N21 N Uani 0.4736(3) -0.0447(3) 0.8104(2) 1.000 0.0317(17) . .
N22 N Uani 0.4482(3) 0.0075(3) 0.8130(2) 1.000 0.0277(17) . .
N23 N Uani 0.3813(3) -0.0129(3) 0.8297(2) 1.000 0.0351(17) . .
N24 N Uani 0.6587(3) 0.1681(3) 0.7742(2) 1.000 0.0315(17) . .
N25 N Uani 0.3813(4) 0.3270(3) 0.7938(3) 1.000 0.052(3) . .
N26 N Uani 0.3441(4) 0.3637(4) 0.7706(3) 1.000 0.061(3) . .
N27 N Uani 0.3515(4) 0.5105(3) 0.7347(3) 1.000 0.048(2) . .
N28 N Uani 0.5073(4) 0.4805(3) 0.7648(2) 1.000 0.043(2) . .
N29 N Uani 0.5318(4) 0.4493(3) 0.8011(2) 1.000 0.0394(19) . .
N30 N Uani 0.6022(3) 0.4876(3) 0.8204(2) 1.000 0.0368(17) . .
N31 N Uani 0.7053(3) 0.5371(3) 0.9281(2) 1.000 0.0379(17) . .
N32 N Uani 0.5841(3) 0.3790(3) 0.9065(2) 1.000 0.0360(17) . .
N33 N Uani 0.5243(3) 0.3346(3) 0.8756(2) 1.000 0.0373(17) . .
N34 N Uani 0.4823(3) 0.2846(3) 0.9007(2) 1.000 0.0374(17) . .
N35 N Uani 0.3142(4) 0.1452(3) 0.8929(3) 1.000 0.050(2) . .
N36 N Uani 0.2801(3) 0.0830(3) 0.8688(2) 1.000 0.0407(19) . .
N37 N Uani 0.2236(4) 0.0432(3) 0.8924(2) 1.000 0.0419(17) . .
N38 N Uani 0.3406(4) 0.2866(3) 0.8255(3) 1.000 0.056(3) . .
N39 N Uani 0.4672(3) 0.2789(3) 0.6405(2) 1.000 0.0394(17) . .
N40 N Uani 0.4009(3) 0.2318(3) 0.6479(2) 1.000 0.0405(17) . .
N41 N Uani 0.3423(3) 0.2459(3) 0.6265(2) 1.000 0.0407(19) . .
N42 N Uani 0.1600(4) 0.1806(3) 0.5877(3) 1.000 0.056(3) . .
N43 N Uani 0.2356(4) 0.0919(3) 0.6486(3) 1.000 0.046(2) . .
N44 N Uani 0.0505(4) -0.0225(4) 0.8509(3) 1.000 0.059(3) . .
C1 C Uani 0.0928(8) 0.0706(7) 0.4997(5) 1.000 0.127(5) . .
C2 C Uani 0.2499(8) 0.1192(8) 0.5350(5) 1.000 0.122(5) . .
C3 C Uani 0.1921(8) 0.2107(7) 0.4830(5) 1.000 0.108(4) . .
C4 C Uani 0.1096(16) 0.2969(14) 0.5746(11) 0.500 0.095(7) . .
C5 C Uani 0.0523(17) 0.1983(19) 0.6517(11) 0.500 0.115(14) . .
C6 C Uani 0.0020(14) 0.1588(19) 0.5398(13) 0.500 0.150(17) . .
C7 C Uani 0.0641(16) 0.2554(17) 0.5470(12) 0.500 0.117(16) . .
C8 C Uani 0.1065(16) 0.2652(16) 0.6590(13) 0.500 0.133(16) . .
C9 C Uani -0.0063(15) 0.1321(14) 0.6046(13) 0.500 0.110(14) . .
C10 C Uani 0.4512(4) 0.3266(4) 0.6139(3) 1.000 0.038(2) . .
C11 C Uani 0.3719(4) 0.3051(4) 0.6041(3) 1.000 0.044(2) . .
C12 C Uani 0.3384(5) 0.3447(4) 0.5768(3) 1.000 0.053(3) . .
C13 C Uani 0.3864(5) 0.4053(4) 0.5613(3) 1.000 0.056(3) . .
C14 C Uani 0.4669(5) 0.4272(4) 0.5720(4) 1.000 0.059(3) . .
C15 C Uani 0.5001(5) 0.3884(4) 0.5975(3) 1.000 0.049(3) . .
C17 C Uani 0.7786(5) 0.6075(5) 0.5409(3) 1.000 0.067(4) . .
C18 C Uani 0.8085(6) 0.6702(4) 0.6509(4) 1.000 0.066(3) . .
C19 C Uani 0.6981(5) 0.5264(4) 0.6194(3) 1.000 0.052(3) . .
C20 C Uani 0.9444(6) 0.5694(5) 0.5266(4) 1.000 0.076(4) . .
C21 C Uani 0.9785(6) 0.6999(5) 0.5949(4) 1.000 0.076(4) . .
C22 C Uani 1.0336(5) 0.5910(5) 0.6285(4) 1.000 0.073(4) . .
C23 C Uani 0.6673(4) 0.3342(4) 0.5863(3) 1.000 0.039(2) . .
C24 C Uani 0.7353(4) 0.3882(4) 0.5849(3) 1.000 0.035(2) . .
C25 C Uani 0.7582(5) 0.4137(4) 0.5389(3) 1.000 0.050(3) . .
C26 C Uani 0.7099(6) 0.3831(5) 0.4962(3) 1.000 0.063(3) . .
C27 C Uani 0.6396(6) 0.3286(5) 0.4970(3) 1.000 0.066(3) . .
C28 C Uani 0.6183(5) 0.3038(5) 0.5411(3) 1.000 0.056(3) . .
C29 C Uani 0.9548(5) 0.2338(5) 0.9674(3) 1.000 0.057(3) . .
C30 C Uani 0.8069(5) 0.1391(4) 0.9996(3) 1.000 0.051(3) . .
C31 C Uani 0.8129(5) 0.1868(4) 0.8945(3) 1.000 0.046(3) . .
C32 C Uani 0.9517(5) 0.4149(4) 1.0345(3) 1.000 0.056(3) . .
C33 C Uani 0.8048(5) 0.3589(4) 1.0761(3) 1.000 0.048(3) . .
C34 C Uani 0.9131(5) 0.2847(4) 1.0887(3) 1.000 0.051(3) . .
C35 C Uani 0.5546(4) 0.1458(3) 0.9231(2) 1.000 0.0298(19) . .
C36 C Uani 0.6208(4) 0.1872(3) 0.9543(2) 1.000 0.0295(19) . .
C37 C Uani 0.6329(4) 0.1780(4) 1.0057(2) 1.000 0.038(2) . .
C38 C Uani 0.5764(4) 0.1257(4) 1.0238(3) 1.000 0.039(2) . .
C39 C Uani 0.5095(4) 0.0842(4) 0.9927(3) 1.000 0.038(2) . .
C40 C Uani 0.4971(4) 0.0927(3) 0.9426(3) 1.000 0.033(2) . .
C41 C Uani 0.7557(4) -0.0249(4) 0.8770(3) 1.000 0.047(3) . .
C42 C Uani 0.6115(5) -0.1105(4) 0.9184(3) 1.000 0.050(3) . .
C43 C Uani 0.6305(5) 0.0264(4) 0.8854(3) 1.000 0.050(3) . .
C44 C Uani 0.7150(5) -0.1368(5) 0.7498(3) 1.000 0.057(3) . .
C45 C Uani 0.5496(5) -0.2163(4) 0.7358(3) 1.000 0.055(3) . .
C46 C Uani 0.6418(5) -0.2178(4) 0.8329(3) 1.000 0.053(3) . .
C47 C Uani 0.3616(4) -0.0806(4) 0.8381(3) 1.000 0.036(2) . .
C48 C Uani 0.4198(4) -0.1010(3) 0.8258(2) 1.000 0.0300(17) . .
C49 C Uani 0.4164(4) -0.1682(4) 0.8297(3) 1.000 0.037(2) . .
C50 C Uani 0.3529(4) -0.2145(4) 0.8452(3) 1.000 0.045(3) . .
C51 C Uani 0.2936(4) -0.1946(4) 0.8577(3) 1.000 0.048(3) . .
C52 C Uani 0.2971(4) -0.1280(4) 0.8548(3) 1.000 0.045(3) . .
C53 C Uani 0.6956(4) 0.0810(4) 0.7560(3) 1.000 0.035(2) . .
C54 C Uani 0.7182(4) 0.1525(3) 0.7617(2) 1.000 0.031(2) . .
C55 C Uani 0.7914(4) 0.1945(4) 0.7545(3) 1.000 0.043(2) . .
C56 C Uani 0.8390(5) 0.1635(5) 0.7419(3) 1.000 0.051(3) . .
C57 C Uani 0.8150(5) 0.0902(5) 0.7358(3) 1.000 0.053(3) . .
C58 C Uani 0.7444(5) 0.0490(4) 0.7431(3) 1.000 0.052(3) . .
C59 C Uani 0.8804(4) 0.3674(4) 0.8626(3) 1.000 0.037(2) . .
C60 C Uani 0.8750(4) 0.3834(4) 0.8127(3) 1.000 0.036(2) . .
C61 C Uani 0.9410(4) 0.4184(4) 0.7906(3) 1.000 0.046(3) . .
C62 C Uani 1.0086(4) 0.4361(5) 0.8204(3) 1.000 0.054(3) . .
C63 C Uani 1.0133(4) 0.4206(5) 0.8714(3) 1.000 0.053(3) . .
C64 C Uani 0.9503(4) 0.3864(4) 0.8928(3) 1.000 0.046(3) . .
C65 C Uani 0.6299(5) 0.6386(4) 0.9137(3) 1.000 0.051(3) . .
C66 C Uani 0.5404(4) 0.5002(4) 0.9416(3) 1.000 0.046(3) . .
C67 C Uani 0.6622(5) 0.5960(4) 1.0183(3) 1.000 0.052(3) . .
C68 C Uani 0.8323(5) 0.5609(5) 1.0098(3) 1.000 0.060(3) . .
C69 C Uani 0.8297(5) 0.6771(4) 0.9475(4) 1.000 0.065(3) . .
C70 C Uani 0.8585(4) 0.5586(5) 0.9005(3) 1.000 0.056(3) . .
C71 C Uani 0.3925(7) 0.5050(6) 0.8466(3) 1.000 0.075(4) . .
C72 C Uani 0.4290(6) 0.6388(5) 0.8020(4) 1.000 0.070(4) . .
C73 C Uani 0.2683(5) 0.5491(5) 0.8114(4) 1.000 0.073(4) . .
C74 C Uani 0.3991(6) 0.5900(6) 0.6447(4) 1.000 0.093(5) . .
C75 C Uani 0.2530(6) 0.4675(6) 0.6354(4) 1.000 0.077(4) . .
C76 C Uani 0.2676(8) 0.5972(7) 0.6918(5) 1.000 0.104(6) . .
C77 C Uani 0.2748(5) 0.2968(5) 0.8234(5) 1.000 0.067(4) . .
C78 C Uani 0.2759(5) 0.3444(5) 0.7891(5) 1.000 0.070(4) . .
C79 C Uani 0.2145(6) 0.3660(6) 0.7777(6) 1.000 0.102(6) . .
C80 C Uani 0.1520(7) 0.3364(7) 0.8062(7) 1.000 0.125(8) . .
C81 C Uani 0.1519(7) 0.2902(6) 0.8421(7) 1.000 0.119(7) . .
C82 C Uani 0.2126(6) 0.2692(6) 0.8520(6) 1.000 0.098(5) . .
C83 C Uani 0.2227(5) 0.0817(4) 0.9350(3) 1.000 0.050(3) . .
C84 C Uani 0.2787(5) 0.1470(4) 0.9351(3) 1.000 0.047(3) . .
C85 C Uani 0.2926(6) 0.1989(5) 0.9729(4) 1.000 0.062(3) . .
C86 C Uani 0.2481(6) 0.1836(6) 1.0115(4) 1.000 0.072(4) . .
C87 C Uani 0.1923(6) 0.1185(6) 1.0125(4) 1.000 0.073(4) . .
C88 C Uani 0.1772(6) 0.0660(6) 0.9746(4) 1.000 0.069(4) . .
C89 C Uani 0.5146(4) 0.2968(4) 0.9502(3) 1.000 0.040(2) . .
C90 C Uani 0.5780(4) 0.3564(4) 0.9548(3) 1.000 0.039(2) . .
C91 C Uani 0.6234(5) 0.3840(4) 1.0012(3) 1.000 0.046(3) . .
C92 C Uani 0.6011(5) 0.3483(4) 1.0421(3) 1.000 0.050(3) . .
C93 C Uani 0.5389(5) 0.2874(5) 1.0378(3) 1.000 0.050(3) . .
C94 C Uani 0.4939(5) 0.2601(4) 0.9925(3) 1.000 0.048(3) . .
C95 C Uani 0.5665(5) 0.5419(4) 0.7598(3) 1.000 0.042(3) . .
C96 C Uani 0.6264(4) 0.5456(4) 0.7952(3) 1.000 0.037(2) . .
C97 C Uani 0.6964(5) 0.6024(4) 0.8006(3) 1.000 0.048(3) . .
C98 C Uani 0.7023(5) 0.6509(4) 0.7669(3) 1.000 0.050(3) . .
C99 C Uani 0.6425(6) 0.6461(5) 0.7306(3) 1.000 0.057(3) . .
C100 C Uani 0.5734(5) 0.5931(5) 0.7260(3) 1.000 0.053(3) . .
C101 C Uani 0.3947(6) -0.1200(5) 0.5122(3) 1.000 0.063(4) . .
C102 C Uani 0.2455(5) -0.1036(5) 0.5167(3) 1.000 0.060(3) . .
C103 C Uani 0.3895(5) 0.0174(4) 0.5439(3) 1.000 0.056(3) . .
C104 C Uani 0.2974(8) -0.2001(5) 0.6901(4) 1.000 0.094(5) . .
C105 C Uani 0.2464(6) -0.2475(4) 0.5796(4) 1.000 0.068(4) . .
C106 C Uani 0.4104(6) -0.2079(5) 0.6229(4) 1.000 0.072(4) . .
C107 C Uani 0.2084(4) -0.0202(4) 0.6388(3) 1.000 0.041(2) . .
C108 C Uani 0.1758(4) 0.0295(4) 0.6376(3) 1.000 0.047(2) . .
C109 C Uani 0.0983(5) 0.0101(5) 0.6273(4) 1.000 0.058(3) . .
C110 C Uani 0.0546(5) -0.0576(5) 0.6191(4) 1.000 0.062(3) . .
C111 C Uani 0.0873(5) -0.1083(5) 0.6201(3) 1.000 0.059(3) . .
C112 C Uani 0.1635(5) -0.0913(4) 0.6290(3) 1.000 0.051(3) . .
C113 C Uani 0.5388(4) 0.0564(4) 0.6413(2) 1.000 0.037(2) . .
C114 C Uani 0.5844(4) 0.1265(4) 0.6443(2) 1.000 0.035(2) . .
C115 C Uani 0.6599(4) 0.1497(4) 0.6346(3) 1.000 0.041(2) . .
C116 C Uani 0.6875(5) 0.0997(4) 0.6214(3) 1.000 0.045(3) . .
C117 C Uani 0.6399(5) 0.0288(5) 0.6177(3) 1.000 0.050(3) . .
C118 C Uani 0.5663(5) 0.0059(4) 0.6272(3) 1.000 0.044(3) . .
C119 C Uani -0.0103(8) -0.0243(9) 0.7419(5) 1.000 0.140(8) . .
C120 C Uani 0.1299(7) 0.0952(6) 0.7922(5) 1.000 0.089(5) . .
C121 C Uani -0.0214(9) 0.0761(9) 0.8225(6) 1.000 0.153(10) . .
C122 C Uani -0.0381(6) 0.0053(6) 0.9299(4) 1.000 0.078(4) . .
C123 C Uani -0.1110(5) -0.1179(6) 0.8464(4) 1.000 0.079(4) . .
C124 C Uani 0.0014(5) -0.1225(5) 0.9289(4) 1.000 0.069(4) . .
Li1 Li Uani 0.3186(6) 0.0444(6) 0.8112(5) 1.000 0.040(4) . .
Li2 Li Uani 0.3983(7) 0.1544(6) 0.6875(5) 1.000 0.040(4) . .
Li3 Li Uani 0.5648(7) 0.2662(6) 0.6674(5) 1.000 0.039(4) . .
Li4 Li Uani 0.7310(6) 0.3849(6) 0.7407(4) 1.000 0.032(3) . .
Li5 Li Uani 0.5082(6) 0.1108(6) 0.8084(4) 1.000 0.031(3) . .
Li6 Li Uani 0.6559(6) 0.2559(6) 0.8103(4) 1.000 0.030(3) . .
Li7 Li Uani 0.4925(8) 0.3437(6) 0.8025(5) 1.000 0.041(4) . .
Li8 Li Uani 0.3855(9) 0.2213(7) 0.8588(6) 1.000 0.053(5) . .
C125 C Uani -0.0136(6) 0.6653(6) 0.7702(4) 1.000 0.078(4) . .
C126 C Uani 0.0338(7) 0.7287(6) 0.7600(4) 1.000 0.080(5) . .
C127 C Uani 0.1083(7) 0.7419(6) 0.7587(4) 1.000 0.085(5) . .
C128 C Uani 0.1351(6) 0.6900(7) 0.7668(4) 1.000 0.087(4) . .
C129 C Uani 0.0858(6) 0.6256(6) 0.7778(4) 1.000 0.077(4) . .
C130 C Uani 0.0116(6) 0.6134(6) 0.7794(4) 1.000 0.072(4) . .
C131 C Uani 0.0043(7) 0.7852(7) 0.7513(5) 1.000 0.111(6) . .
C132 C Uani 0.9281(6) 0.3188(5) 0.6659(4) 1.000 0.067(4) . .
C133 C Uani 0.9799(5) 0.3730(5) 0.6453(4) 1.000 0.062(3) . .
C134 C Uani 0.9633(6) 0.3822(5) 0.5955(4) 1.000 0.066(4) . .
C135 C Uani 0.8977(7) 0.3388(6) 0.5654(4) 1.000 0.077(4) . .
C136 C Uani 0.8463(6) 0.2849(6) 0.5860(4) 1.000 0.073(4) . .
C137 C Uani 0.8623(6) 0.2741(6) 0.6363(4) 1.000 0.072(4) . .
C138 C Uani 1.0508(5) 0.4220(6) 0.6776(5) 1.000 0.088(5) . .
C139 C Uani 0.5710(7) 0.7368(7) 0.5226(5) 1.000 0.100(5) . .
C140 C Uani 0.5886(6) 0.7192(6) 0.5689(4) 1.000 0.071(4) . .
C141 C Uani 0.6171(12) 0.7674(8) 0.6084(5) 1.000 0.152(11) . .
C142 C Uani 0.6236(15) 0.8353(9) 0.6018(5) 1.000 0.199(14) . .
C143 C Uani 0.5974(9) 0.8501(7) 0.5566(6) 1.000 0.108(6) . .
C144 C Uani 0.5745(7) 0.8017(7) 0.5149(5) 1.000 0.095(5) . .
C145 C Uani 0.5830(9) 0.6449(7) 0.5762(5) 1.000 0.118(7) . .
H1A H Uiso 0.08990 0.03160 0.51800 1.000 0.1910 calc R
H1B H Uiso 0.09960 0.06160 0.46530 1.000 0.1910 calc R
H1C H Uiso 0.04670 0.07880 0.50030 1.000 0.1910 calc R
H2A H Uiso 0.29040 0.15030 0.55900 1.000 0.1830 calc R
H2B H Uiso 0.26750 0.11830 0.50260 1.000 0.1830 calc R
H2C H Uiso 0.23350 0.07390 0.54630 1.000 0.1830 calc R
H3A H Uiso 0.23470 0.25140 0.49640 1.000 0.1620 calc R
H3B H Uiso 0.14820 0.22220 0.47540 1.000 0.1620 calc R
H3C H Uiso 0.20290 0.19180 0.45260 1.000 0.1620 calc R
H4A H Uiso 0.12590 0.30050 0.54160 0.500 0.1420 calc .
H4B H Uiso 0.15000 0.32710 0.59900 0.500 0.1420 calc .
H4C H Uiso 0.06630 0.30970 0.57450 0.500 0.1420 calc .
H5A H Uiso 0.02720 0.15060 0.65650 0.500 0.1740 calc .
H5B H Uiso 0.01760 0.22140 0.65400 0.500 0.1740 calc .
H5C H Uiso 0.09510 0.21900 0.67730 0.500 0.1740 calc .
H6A H Uiso 0.02110 0.16080 0.50770 0.500 0.2250 calc .
H6B H Uiso -0.03440 0.18030 0.53890 0.500 0.2250 calc .
H6C H Uiso -0.02170 0.11160 0.54660 0.500 0.2250 calc .
H7A H Uiso 0.05650 0.23220 0.51380 0.500 0.1750 calc .
H7B H Uiso 0.10600 0.29880 0.54910 0.500 0.1750 calc .
H7C H Uiso 0.01920 0.26310 0.55300 0.500 0.1750 calc .
H8A H Uiso 0.10720 0.23740 0.68640 0.500 0.1950 calc .
H8B H Uiso 0.06820 0.28400 0.66150 0.500 0.1950 calc .
H8C H Uiso 0.15510 0.30200 0.66050 0.500 0.1950 calc .
H9A H Uiso -0.02250 0.09680 0.57700 0.500 0.1640 calc .
H9B H Uiso -0.04570 0.14940 0.60810 0.500 0.1640 calc .
H9C H Uiso 0.00440 0.11340 0.63530 0.500 0.1640 calc .
H10A H Uiso 0.53340 0.59100 0.70210 1.000 0.0630 calc R
H10B H Uiso 0.36670 -0.16880 0.50830 1.000 0.0950 calc R
H10C H Uiso 0.44450 -0.11030 0.52960 1.000 0.0950 calc R
H10D H Uiso 0.39880 -0.10280 0.47950 1.000 0.0950 calc R
H10E H Uiso 0.22070 -0.07650 0.53140 1.000 0.0900 calc R
H10F H Uiso 0.21790 -0.15140 0.52020 1.000 0.0900 calc R
H10G H Uiso 0.24720 -0.09660 0.48150 1.000 0.0900 calc R
H10H H Uiso 0.37210 0.04210 0.56770 1.000 0.0840 calc R
H10I H Uiso 0.37610 0.02690 0.51020 1.000 0.0840 calc R
H10J H Uiso 0.44360 0.03180 0.55080 1.000 0.0840 calc R
H10K H Uiso 0.25670 -0.18470 0.69410 1.000 0.1400 calc R
H10L H Uiso 0.34000 -0.17490 0.71490 1.000 0.1400 calc R
H10M H Uiso 0.28100 -0.24830 0.69440 1.000 0.1400 calc R
H10N H Uiso 0.26310 -0.25010 0.54720 1.000 0.1020 calc R
H10O H Uiso 0.20460 -0.23250 0.57640 1.000 0.1020 calc R
H10P H Uiso 0.23070 -0.29200 0.59230 1.000 0.1020 calc R
H10Q H Uiso 0.42720 -0.20120 0.59010 1.000 0.1070 calc R
H10R H Uiso 0.39730 -0.25530 0.62920 1.000 0.1070 calc R
H10S H Uiso 0.45020 -0.17920 0.64830 1.000 0.1070 calc R
H10T H Uiso 0.07650 0.04300 0.62600 1.000 0.0690 calc R
H11A H Uiso 0.00220 -0.07130 0.61270 1.000 0.0750 calc R
H11B H Uiso 0.05570 -0.15450 0.61440 1.000 0.0700 calc R
H11C H Uiso 0.18500 -0.12450 0.62870 1.000 0.0610 calc R
H11D H Uiso 0.68990 0.19640 0.63680 1.000 0.0500 calc R
H11E H Uiso 0.73750 0.11260 0.61510 1.000 0.0550 calc R
H11F H Uiso 0.65990 -0.00360 0.60830 1.000 0.0600 calc R
H11G H Uiso 0.53610 -0.04070 0.62440 1.000 0.0520 calc R
H11H H Uiso -0.06040 -0.05460 0.74660 1.000 0.2100 calc R
H11I H Uiso 0.01810 -0.05100 0.73190 1.000 0.2100 calc R
H11J H Uiso -0.01340 0.00520 0.71610 1.000 0.2100 calc R
H12A H Uiso 0.28610 0.33050 0.56960 1.000 0.0630 calc R
H12B H Uiso 0.16110 0.11780 0.82330 1.000 0.1340 calc R
H12C H Uiso 0.11980 0.12860 0.77240 1.000 0.1340 calc R
H12D H Uiso 0.15570 0.07250 0.77350 1.000 0.1340 calc R
H12E H Uiso 0.00090 0.10580 0.85310 1.000 0.2290 calc R
H12F H Uiso -0.06970 0.04260 0.82740 1.000 0.2290 calc R
H12G H Uiso -0.02800 0.10300 0.79550 1.000 0.2290 calc R
H12H H Uiso 0.00900 0.04340 0.93990 1.000 0.1170 calc R
H12I H Uiso -0.05810 -0.01500 0.95940 1.000 0.1170 calc R
H12J H Uiso -0.07360 0.02130 0.91180 1.000 0.1170 calc R
H12K H Uiso -0.10090 -0.15070 0.82510 1.000 0.1180 calc R
H12L H Uiso -0.12980 -0.08990 0.82580 1.000 0.1180 calc R
H12M H Uiso -0.14830 -0.14170 0.86760 1.000 0.1180 calc R
H12N H Uiso 0.00770 -0.15840 0.90840 1.000 0.1040 calc R
H12O H Uiso -0.03920 -0.14240 0.94860 1.000 0.1040 calc R
H12P H Uiso 0.04750 -0.09800 0.95100 1.000 0.1040 calc R
H13A H Uiso 0.36580 0.43260 0.54350 1.000 0.0670 calc R
H14A H Uiso 0.49750 0.46880 0.56130 1.000 0.0710 calc R
H15A H Uiso 0.55250 0.40210 0.60380 1.000 0.0580 calc R
H17A H Uiso 0.82540 0.63920 0.53200 1.000 0.1000 calc R
H17B H Uiso 0.74030 0.62680 0.53600 1.000 0.1000 calc R
H17C H Uiso 0.76290 0.56500 0.51990 1.000 0.1000 calc R
H18A H Uiso 0.82320 0.66370 0.68520 1.000 0.0980 calc R
H18B H Uiso 0.76270 0.67920 0.64900 1.000 0.0980 calc R
H18C H Uiso 0.84810 0.70860 0.64000 1.000 0.0980 calc R
H19A H Uiso 0.70280 0.50790 0.65130 1.000 0.0790 calc R
H19B H Uiso 0.68100 0.48980 0.59270 1.000 0.0790 calc R
H19C H Uiso 0.66210 0.54840 0.61960 1.000 0.0790 calc R
H20A H Uiso 0.89870 0.56880 0.50760 1.000 0.1140 calc R
H20B H Uiso 0.94370 0.52340 0.52630 1.000 0.1140 calc R
H20C H Uiso 0.98740 0.59790 0.51170 1.000 0.1140 calc R
H21A H Uiso 0.94010 0.71000 0.57470 1.000 0.1140 calc R
H21B H Uiso 1.02590 0.71980 0.58170 1.000 0.1140 calc R
H21C H Uiso 0.98370 0.71880 0.62920 1.000 0.1140 calc R
H22A H Uiso 1.04670 0.61640 0.66120 1.000 0.1100 calc R
H22B H Uiso 1.07610 0.60670 0.60980 1.000 0.1100 calc R
H22C H Uiso 1.02030 0.54290 0.63250 1.000 0.1100 calc R
H25A H Uiso 0.80420 0.44990 0.53780 1.000 0.0600 calc R
H26A H Uiso 0.72370 0.39850 0.46520 1.000 0.0750 calc R
H27A H Uiso 0.60770 0.30970 0.46690 1.000 0.0790 calc R
H28A H Uiso 0.57240 0.26740 0.54170 1.000 0.0680 calc R
H29A H Uiso 0.97780 0.27080 0.94720 1.000 0.0850 calc R
H29B H Uiso 0.96240 0.19340 0.95500 1.000 0.0850 calc R
H29C H Uiso 0.97760 0.24670 1.00190 1.000 0.0850 calc R
H30A H Uiso 0.75330 0.12790 0.99760 1.000 0.0760 calc R
H30B H Uiso 0.82930 0.14990 1.03430 1.000 0.0760 calc R
H30C H Uiso 0.81600 0.10040 0.98540 1.000 0.0760 calc R
H31A H Uiso 0.76120 0.18300 0.88840 1.000 0.0690 calc R
H31B H Uiso 0.81570 0.14300 0.88600 1.000 0.0690 calc R
H31C H Uiso 0.84300 0.22020 0.87410 1.000 0.0690 calc R
H32A H Uiso 0.99050 0.40500 1.01950 1.000 0.0830 calc R
H32B H Uiso 0.97280 0.44110 1.06670 1.000 0.0830 calc R
H32C H Uiso 0.93190 0.44100 1.01260 1.000 0.0830 calc R
H33A H Uiso 0.75940 0.31920 1.07720 1.000 0.0720 calc R
H33B H Uiso 0.79260 0.39250 1.05780 1.000 0.0720 calc R
H33C H Uiso 0.82690 0.37820 1.11000 1.000 0.0720 calc R
H34A H Uiso 0.94930 0.27110 1.07340 1.000 0.0770 calc R
H34B H Uiso 0.87250 0.24460 1.09640 1.000 0.0770 calc R
H34C H Uiso 0.93750 0.31390 1.11920 1.000 0.0770 calc R
H37A H Uiso 0.67680 0.20570 1.02650 1.000 0.0450 calc R
H38A H Uiso 0.58250 0.11750 1.05760 1.000 0.0470 calc R
H39A H Uiso 0.47250 0.04980 1.00680 1.000 0.0460 calc R
H40A H Uiso 0.45280 0.06490 0.92220 1.000 0.0400 calc R
H41A H Uiso 0.77710 0.00850 0.85380 1.000 0.0690 calc R
H41B H Uiso 0.76840 -0.06440 0.87030 1.000 0.0690 calc R
H41C H Uiso 0.77580 -0.00530 0.91100 1.000 0.0690 calc R
H42A H Uiso 0.55720 -0.12650 0.91380 1.000 0.0750 calc R
H42B H Uiso 0.63090 -0.08610 0.95120 1.000 0.0750 calc R
H42C H Uiso 0.62670 -0.14920 0.91560 1.000 0.0750 calc R
H43A H Uiso 0.65330 0.06130 0.86350 1.000 0.0750 calc R
H43B H Uiso 0.65130 0.04340 0.91990 1.000 0.0750 calc R
H43C H Uiso 0.57670 0.01510 0.88150 1.000 0.0750 calc R
H44A H Uiso 0.70570 -0.11790 0.71890 1.000 0.0860 calc R
H44B H Uiso 0.72620 -0.17690 0.74230 1.000 0.0860 calc R
H44C H Uiso 0.75730 -0.10320 0.77110 1.000 0.0860 calc R
H45A H Uiso 0.50240 -0.21890 0.74670 1.000 0.0820 calc R
H45B H Uiso 0.55070 -0.26160 0.73230 1.000 0.0820 calc R
H45C H Uiso 0.55460 -0.19700 0.70390 1.000 0.0820 calc R
H46A H Uiso 0.59730 -0.23420 0.84970 1.000 0.0790 calc R
H46B H Uiso 0.68500 -0.19200 0.85710 1.000 0.0790 calc R
H46C H Uiso 0.64970 -0.25630 0.81720 1.000 0.0790 calc R
H49A H Uiso 0.45600 -0.18090 0.82200 1.000 0.0440 calc R
H50A H Uiso 0.34870 -0.25980 0.84750 1.000 0.0550 calc R
H51A H Uiso 0.25100 -0.22730 0.86810 1.000 0.0580 calc R
H52A H Uiso 0.25800 -0.11510 0.86350 1.000 0.0540 calc R
H55A H Uiso 0.80720 0.24220 0.75810 1.000 0.0520 calc R
H56A H Uiso 0.88830 0.19060 0.73700 1.000 0.0610 calc R
H57A H Uiso 0.84870 0.07050 0.72670 1.000 0.0630 calc R
H58A H Uiso 0.72890 0.00130 0.73970 1.000 0.0620 calc R
H61A H Uiso 0.93840 0.42900 0.75720 1.000 0.0560 calc R
H62A H Uiso 1.05310 0.45910 0.80690 1.000 0.0640 calc R
H63A H Uiso 1.06070 0.43410 0.89060 1.000 0.0640 calc R
H64A H Uiso 0.95350 0.37600 0.92630 1.000 0.0550 calc R
H65A H Uiso 0.60480 0.62100 0.88010 1.000 0.0770 calc R
H65B H Uiso 0.67970 0.67210 0.91200 1.000 0.0770 calc R
H65C H Uiso 0.60110 0.65970 0.93080 1.000 0.0770 calc R
H66A H Uiso 0.53850 0.46530 0.96400 1.000 0.0680 calc R
H66B H Uiso 0.52680 0.47990 0.90730 1.000 0.0680 calc R
H66C H Uiso 0.50560 0.52120 0.94960 1.000 0.0680 calc R
H67A H Uiso 0.66430 0.55860 1.03700 1.000 0.0770 calc R
H67B H Uiso 0.62420 0.61100 1.02940 1.000 0.0770 calc R
H67C H Uiso 0.71060 0.63350 1.02410 1.000 0.0770 calc R
H68A H Uiso 0.80330 0.57110 1.03400 1.000 0.0900 calc R
H68B H Uiso 0.88520 0.58800 1.01950 1.000 0.0900 calc R
H68C H Uiso 0.82430 0.51290 1.00860 1.000 0.0900 calc R
H69A H Uiso 0.79880 0.69130 0.96810 1.000 0.0970 calc R
H69B H Uiso 0.82290 0.68970 0.91380 1.000 0.0970 calc R
H69C H Uiso 0.88200 0.69930 0.96160 1.000 0.0970 calc R
H70A H Uiso 0.85570 0.51250 0.90430 1.000 0.0830 calc R
H70B H Uiso 0.91040 0.58990 0.90750 1.000 0.0830 calc R
H70C H Uiso 0.83870 0.56160 0.86650 1.000 0.0830 calc R
H71A H Uiso 0.35240 0.46250 0.85090 1.000 0.1120 calc R
H71B H Uiso 0.40660 0.53450 0.87750 1.000 0.1120 calc R
H71C H Uiso 0.43550 0.49590 0.83790 1.000 0.1120 calc R
H72A H Uiso 0.47720 0.63980 0.79420 1.000 0.1060 calc R
H72B H Uiso 0.43440 0.65820 0.83620 1.000 0.1060 calc R
H72C H Uiso 0.41110 0.66520 0.77930 1.000 0.1060 calc R
H73A H Uiso 0.22770 0.50770 0.79660 1.000 0.1090 calc R
H73B H Uiso 0.26050 0.58830 0.79860 1.000 0.1090 calc R
H73C H Uiso 0.26940 0.55190 0.84750 1.000 0.1090 calc R
H74A H Uiso 0.43380 0.62960 0.66580 1.000 0.1390 calc R
H74B H Uiso 0.37900 0.60470 0.61480 1.000 0.1390 calc R
H74C H Uiso 0.42520 0.56100 0.63510 1.000 0.1390 calc R
H75A H Uiso 0.20630 0.44620 0.64910 1.000 0.1150 calc R
H75B H Uiso 0.27570 0.43430 0.63010 1.000 0.1150 calc R
H75C H Uiso 0.24310 0.48440 0.60370 1.000 0.1150 calc R
H76A H Uiso 0.22800 0.57550 0.71200 1.000 0.1570 calc R
H76B H Uiso 0.24580 0.60580 0.66000 1.000 0.1570 calc R
H76C H Uiso 0.30200 0.64000 0.70940 1.000 0.1570 calc R
H79A H Uiso 0.19600 0.35430 0.74200 1.000 0.1230 calc R
H79B H Uiso 0.23320 0.41570 0.78390 1.000 0.1230 calc R
H80A H Uiso 0.11000 0.34860 0.80050 1.000 0.1510 calc R
H81A H Uiso 0.11040 0.27300 0.85980 1.000 0.1420 calc R
H82A H Uiso 0.19340 0.21940 0.84630 1.000 0.1170 calc R
H82B H Uiso 0.23210 0.28130 0.88770 1.000 0.1170 calc R
H85A H Uiso 0.33020 0.24210 0.97240 1.000 0.0740 calc R
H86A H Uiso 0.25550 0.21750 1.03740 1.000 0.0860 calc R
H87A H Uiso 0.16430 0.10980 1.03970 1.000 0.0870 calc R
H88A H Uiso 0.13920 0.02290 0.97520 1.000 0.0820 calc R
H91A H Uiso 0.66640 0.42430 1.00400 1.000 0.0550 calc R
H92A H Uiso 0.62880 0.36570 1.07380 1.000 0.0600 calc R
H93A H Uiso 0.52690 0.26410 1.06640 1.000 0.0610 calc R
H94A H Uiso 0.45170 0.21930 0.99000 1.000 0.0570 calc R
H97A H Uiso 0.73600 0.60650 0.82540 1.000 0.0580 calc R
H98A H Uiso 0.74790 0.68840 0.76840 1.000 0.0600 calc R
H99A H Uiso 0.64990 0.68040 0.70860 1.000 0.0680 calc R
H12Q H Uiso -0.06460 0.65700 0.77080 1.000 0.0940 calc R
H12R H Uiso 0.14110 0.78530 0.75250 1.000 0.1020 calc R
H12S H Uiso 0.18580 0.69780 0.76490 1.000 0.1050 calc R
H12T H Uiso 0.10410 0.59100 0.78400 1.000 0.0920 calc R
H13B H Uiso -0.02150 0.57070 0.78670 1.000 0.0870 calc R
H13C H Uiso 0.02490 0.80890 0.72310 1.000 0.1660 calc R
H13D H Uiso 0.01910 0.81710 0.78110 1.000 0.1660 calc R
H13E H Uiso -0.05000 0.76570 0.74430 1.000 0.1660 calc R
H13F H Uiso 0.93720 0.31230 0.69980 1.000 0.0800 calc R
H13G H Uiso 0.99720 0.41900 0.58130 1.000 0.0790 calc R
H13H H Uiso 0.88860 0.34600 0.53170 1.000 0.0910 calc R
H13I H Uiso 0.80150 0.25600 0.56660 1.000 0.0870 calc R
H13J H Uiso 0.82880 0.23690 0.65030 1.000 0.0860 calc R
H13K H Uiso 1.08710 0.44680 0.65620 1.000 0.1310 calc R
H13L H Uiso 1.07210 0.39640 0.69900 1.000 0.1310 calc R
H13M H Uiso 1.03820 0.45390 0.69830 1.000 0.1310 calc R
H13N H Uiso 0.55600 0.70370 0.49510 1.000 0.1190 calc R
H14B H Uiso 0.63250 0.75590 0.63980 1.000 0.1810 calc R
H14C H Uiso 0.64560 0.86970 0.62830 1.000 0.2380 calc R
H14D H Uiso 0.59470 0.89300 0.55340 1.000 0.1290 calc R
H14E H Uiso 0.56210 0.81320 0.48280 1.000 0.1140 calc R
H14F H Uiso 0.61800 0.64560 0.60490 1.000 0.1770 calc R
H14G H Uiso 0.59520 0.62590 0.54650 1.000 0.1770 calc R
H14H H Uiso 0.53240 0.61730 0.58180 1.000 0.1770 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Sn Sn 0.0259 5.4591 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 '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'
C C 0.0181 0.0091 '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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Br1 Sn1 Si15 128.74(6) . . . yes
Br1 Sn1 N37 89.96(15) . . . yes
Br1 Sn1 N44 102.7(2) . . . yes
Si15 Sn1 N37 104.7(2) . . . yes
Si15 Sn1 N44 30.3(2) . . . yes
N37 Sn1 N44 91.4(3) . . . yes
Si1 Sn2 N2 110.85(15) . . . yes
Si1 Sn2 N3 30.40(16) . . . yes
Si1 Sn2 N4 118.50(15) . . . yes
N2 Sn2 N3 92.4(2) . . . yes
N2 Sn2 N4 92.7(2) . . . yes
N3 Sn2 N4 97.0(2) . . . yes
Br4 Sn3 Si3 123.54(5) . . . yes
Br4 Sn3 N7 101.54(16) . . . yes
Br4 Sn3 N8 87.05(15) . . . yes
Si3 Sn3 N7 29.78(18) . . . yes
Si3 Sn3 N8 112.65(15) . . . yes
N7 Sn3 N8 93.9(2) . . . yes
Si5 Sn4 N13 116.85(16) . . . yes
Si5 Sn4 N14 31.52(16) . . . yes
Si5 Sn4 N15 116.74(15) . . . yes
N13 Sn4 N14 96.9(2) . . . yes
N13 Sn4 N15 92.8(2) . . . yes
N14 Sn4 N15 95.9(2) . . . yes
Si7 Sn5 N19 116.04(16) . . . yes
Si7 Sn5 N20 29.50(16) . . . yes
Si7 Sn5 N21 113.58(15) . . . yes
N19 Sn5 N20 97.2(2) . . . yes
N19 Sn5 N21 92.1(2) . . . yes
N20 Sn5 N21 93.5(2) . . . yes
Si9 Sn6 N26 118.2(2) . . . yes
Si9 Sn6 N27 31.5(2) . . . yes
Si9 Sn6 N28 115.50(17) . . . yes
N26 Sn6 N27 95.5(3) . . . yes
N26 Sn6 N28 90.1(3) . . . yes
N27 Sn6 N28 96.3(3) . . . yes
Si11 Sn7 N30 110.67(15) . . . yes
Si11 Sn7 N31 30.23(17) . . . yes
Si11 Sn7 N32 118.68(14) . . . yes
N30 Sn7 N31 92.3(2) . . . yes
N30 Sn7 N32 90.7(2) . . . yes
N31 Sn7 N32 96.6(2) . . . yes
Si13 Sn8 N41 117.55(16) . . . yes
Si13 Sn8 N42 30.3(2) . . . yes
Si13 Sn8 N43 112.6(2) . . . yes
N41 Sn8 N42 97.3(3) . . . yes
N41 Sn8 N43 90.5(2) . . . yes
N42 Sn8 N43 92.1(3) . . . yes
Sn1 Br1 Li1 92.3(3) . . . yes
Li1 Br2 Li2 115.0(4) . . . yes
Li1 Br2 Li5 83.7(4) . . . yes
Li1 Br2 Li8 87.9(4) . . . yes
Li2 Br2 Li5 106.5(4) . . . yes
Li2 Br2 Li8 141.2(5) . . . yes
Li5 Br2 Li8 106.9(5) . . . yes
Li3 Br3 Li4 88.6(4) . . . yes
Li3 Br3 Li6 107.7(4) . . . yes
Li3 Br3 Li7 120.8(4) . . . yes
Li4 Br3 Li6 82.0(4) . . . yes
Li4 Br3 Li7 139.9(4) . . . yes
Li6 Br3 Li7 110.2(4) . . . yes
Sn3 Br4 Li4 88.2(3) . . . yes
Sn2 Si1 C104 75.9(3) . . . yes
Sn2 Si1 C105 138.0(3) . . . yes
Sn2 Si1 C106 111.1(3) . . . yes
N3 Si1 C104 111.8(4) . . . yes
N3 Si1 C105 112.6(4) . . . yes
N3 Si1 C106 111.4(4) . . . yes
C104 Si1 C105 106.4(5) . . . yes
C104 Si1 C106 106.0(6) . . . yes
C105 Si1 C106 108.4(5) . . . yes
N3 Si2 C101 110.0(4) . . . yes
N3 Si2 C102 112.2(4) . . . yes
N3 Si2 C103 115.0(3) . . . yes
C101 Si2 C102 107.2(4) . . . yes
C101 Si2 C103 106.9(4) . . . yes
C102 Si2 C103 105.2(4) . . . yes
Sn3 Si3 C20 115.7(3) . . . yes
Sn3 Si3 C21 133.7(4) . . . yes
Sn3 Si3 C22 75.6(3) . . . yes
N7 Si3 C20 112.1(4) . . . yes
N7 Si3 C21 112.8(4) . . . yes
N7 Si3 C22 111.8(4) . . . yes
C20 Si3 C21 108.5(5) . . . yes
C20 Si3 C22 105.3(5) . . . yes
C21 Si3 C22 105.7(5) . . . yes
N7 Si4 C17 109.4(4) . . . yes
N7 Si4 C18 110.9(4) . . . yes
N7 Si4 C19 115.8(4) . . . yes
C17 Si4 C18 109.9(4) . . . yes
C17 Si4 C19 104.0(4) . . . yes
C18 Si4 C19 106.5(4) . . . yes
Sn4 Si5 C32 96.4(3) . . . yes
Sn4 Si5 C33 81.5(3) . . . yes
Sn4 Si5 C34 149.5(3) . . . yes
N14 Si5 C32 110.4(3) . . . yes
N14 Si5 C33 111.6(4) . . . yes
N14 Si5 C34 113.3(3) . . . yes
C32 Si5 C33 105.3(4) . . . yes
C32 Si5 C34 108.7(4) . . . yes
C33 Si5 C34 107.2(4) . . . yes
N14 Si6 C29 111.9(4) . . . yes
N14 Si6 C30 111.7(3) . . . yes
N14 Si6 C31 113.2(3) . . . yes
C29 Si6 C30 107.8(4) . . . yes
C29 Si6 C31 104.6(4) . . . yes
C30 Si6 C31 107.2(4) . . . yes
Sn5 Si7 C44 106.4(3) . . . yes
Sn5 Si7 C45 79.0(3) . . . yes
Sn5 Si7 C46 143.8(3) . . . yes
N20 Si7 C44 112.8(4) . . . yes
N20 Si7 C45 111.6(4) . . . yes
N20 Si7 C46 113.6(3) . . . yes
C44 Si7 C45 105.2(4) . . . yes
C44 Si7 C46 106.4(4) . . . yes
C45 Si7 C46 106.6(4) . . . yes
N20 Si8 C41 109.5(3) . . . yes
N20 Si8 C42 112.4(3) . . . yes
N20 Si8 C43 115.4(3) . . . yes
C41 Si8 C42 108.1(4) . . . yes
C41 Si8 C43 106.6(4) . . . yes
C42 Si8 C43 104.3(4) . . . yes
Sn6 Si9 C74 93.4(4) . . . yes
Sn6 Si9 C75 84.5(4) . . . yes
Sn6 Si9 C76 153.7(4) . . . yes
N27 Si9 C74 111.9(5) . . . yes
N27 Si9 C75 111.0(4) . . . yes
N27 Si9 C76 115.2(5) . . . yes
C74 Si9 C75 106.1(5) . . . yes
C74 Si9 C76 106.1(6) . . . yes
C75 Si9 C76 106.0(6) . . . yes
N27 Si10 C71 115.1(4) . . . yes
N27 Si10 C72 110.5(4) . . . yes
N27 Si10 C73 112.5(4) . . . yes
C71 Si10 C72 105.8(5) . . . yes
C71 Si10 C73 104.8(5) . . . yes
C72 Si10 C73 107.6(5) . . . yes
Sn7 Si11 C68 115.0(3) . . . yes
Sn7 Si11 C69 134.6(3) . . . yes
Sn7 Si11 C70 74.6(3) . . . yes
N31 Si11 C68 111.2(4) . . . yes
N31 Si11 C69 112.9(4) . . . yes
N31 Si11 C70 111.1(3) . . . yes
C68 Si11 C69 108.2(5) . . . yes
C68 Si11 C70 107.2(4) . . . yes
C69 Si11 C70 105.9(4) . . . yes
N31 Si12 C65 112.1(4) . . . yes
N31 Si12 C66 113.9(3) . . . yes
N31 Si12 C67 110.6(4) . . . yes
C65 Si12 C66 105.1(4) . . . yes
C65 Si12 C67 109.0(4) . . . yes
C66 Si12 C67 105.8(4) . . . yes
Sn8 Si13 C4 106.6(10) . . . yes
Sn8 Si13 C5 80.2(11) . . . yes
Sn8 Si13 C6 144.7(11) . . . yes
Sn8 Si13 C7 137.3(11) . . . yes
Sn8 Si13 C8 69.9(9) . . . yes
Sn8 Si13 C9 110.4(10) . . . yes
N42 Si13 C4 109.5(10) . . . yes
N42 Si13 C5 112.9(12) . . . yes
N42 Si13 C6 112.1(10) . . . yes
N42 Si13 C7 119.2(12) . . . yes
N42 Si13 C8 106.2(10) . . . yes
N42 Si13 C9 113.1(9) . . . yes
C4 Si13 C5 109.8(15) . . . yes
C4 Si13 C6 100.7(15) . . . yes
C4 Si13 C8 74.2(13) . . . yes
C4 Si13 C9 137.1(14) . . . yes
C5 Si13 C6 111.2(15) . . . yes
C5 Si13 C7 125.1(16) . . . yes
C5 Si13 C9 57.7(16) . . . yes
C6 Si13 C7 64.1(16) . . . yes
C6 Si13 C8 140.6(14) . . . yes
C6 Si13 C9 58.0(15) . . . yes
C7 Si13 C8 104.7(14) . . . yes
C7 Si13 C9 112.3(15) . . . yes
C8 Si13 C9 98.8(14) . . . yes
N42 Si14 C1 114.5(5) . . . yes
N42 Si14 C2 112.9(5) . . . yes
N42 Si14 C3 111.8(5) . . . yes
C1 Si14 C2 103.7(7) . . . yes
C1 Si14 C3 106.0(6) . . . yes
C2 Si14 C3 107.3(7) . . . yes
Sn1 Si15 C122 127.8(4) . . . yes
Sn1 Si15 C123 118.9(3) . . . yes
Sn1 Si15 C124 74.9(3) . . . yes
N44 Si15 C122 110.8(5) . . . yes
N44 Si15 C123 111.4(4) . . . yes
N44 Si15 C124 112.2(4) . . . yes
C122 Si15 C123 111.3(5) . . . yes
C122 Si15 C124 107.2(5) . . . yes
C123 Si15 C124 103.7(5) . . . yes
N44 Si16 C119 108.3(6) . . . yes
N44 Si16 C120 114.8(6) . . . yes
N44 Si16 C121 112.3(6) . . . yes
C119 Si16 C120 106.8(7) . . . yes
C119 Si16 C121 104.8(7) . . . yes
C120 Si16 C121 109.3(7) . . . yes
N2 N1 N43 111.0(7) . . . yes
N2 N1 Li2 125.6(7) . . . yes
N43 N1 Li2 122.5(6) . . . yes
Sn2 N2 N1 123.6(5) . . . yes
Sn2 N2 C107 126.4(5) . . . yes
N1 N2 C107 107.2(7) . . . yes
Sn2 N3 Si1 111.5(3) . . . yes
Sn2 N3 Si2 126.7(3) . . . yes
Si1 N3 Si2 121.8(3) . . . yes
Sn2 N4 N5 117.5(4) . . . yes
Sn2 N4 C113 132.5(5) . . . yes
N5 N4 C113 108.0(6) . . . yes
N4 N5 N6 110.1(6) . . . yes
N4 N5 Li2 131.4(6) . . . yes
N6 N5 Li2 118.4(6) . . . yes
N5 N6 C114 107.4(6) . . . yes
N5 N6 Li3 119.9(6) . . . yes
C114 N6 Li3 132.6(6) . . . yes
Sn3 N7 Si3 112.9(3) . . . yes
Sn3 N7 Si4 125.5(3) . . . yes
Si3 N7 Si4 121.1(3) . . . yes
Sn3 N8 N9 119.6(4) . . . yes
Sn3 N8 C24 132.5(5) . . . yes
N9 N8 C24 107.9(6) . . . yes
N8 N9 N10 111.3(5) . . . yes
N8 N9 Li4 125.1(5) . . . yes
N10 N9 Li4 122.6(6) . . . yes
N9 N10 C23 106.2(6) . . . yes
N9 N10 Li3 122.3(5) . . . yes
C23 N10 Li3 129.7(6) . . . yes
N12 N11 C60 107.4(6) . . . yes
N12 N11 Li4 109.8(6) . . . yes
C60 N11 Li4 136.4(6) . . . yes
N11 N12 N13 111.0(6) . . . yes
N11 N12 Li6 119.2(5) . . . yes
N13 N12 Li6 125.7(5) . . . yes
Sn4 N13 N12 119.1(4) . . . yes
Sn4 N13 C59 125.4(5) . . . yes
N12 N13 C59 107.6(5) . . . yes
Sn4 N14 Si5 109.4(3) . . . yes
Sn4 N14 Si6 127.1(3) . . . yes
Si5 N14 Si6 123.5(4) . . . yes
Sn4 N15 N16 121.6(4) . . . yes
Sn4 N15 C36 128.6(4) . . . yes
N16 N15 C36 108.3(5) . . . yes
N15 N16 N17 109.9(5) . . . yes
N15 N16 Li6 132.2(6) . . . yes
N17 N16 Li6 117.4(5) . . . yes
N16 N17 C35 107.7(5) . . . yes
N16 N17 Li5 119.7(5) . . . yes
C35 N17 Li5 128.6(6) . . . yes
N19 N18 N24 110.8(6) . . . yes
N19 N18 Li5 129.0(6) . . . yes
N24 N18 Li5 118.5(5) . . . yes
Sn5 N19 N18 128.3(5) . . . yes
Sn5 N19 C53 123.3(5) . . . yes
N18 N19 C53 107.7(6) . . . yes
Sn5 N20 Si7 113.1(3) . . . yes
Sn5 N20 Si8 124.4(3) . . . yes
Si7 N20 Si8 122.4(4) . . . yes
Sn5 N21 N22 124.0(4) . . . yes
Sn5 N21 C48 120.7(4) . . . yes
N22 N21 C48 107.4(6) . . . yes
N21 N22 N23 110.8(5) . . . yes
N21 N22 Li5 128.0(6) . . . yes
N23 N22 Li5 120.0(6) . . . yes
N22 N23 C47 107.4(6) . . . yes
N22 N23 Li1 115.0(6) . . . yes
C47 N23 Li1 132.3(6) . . . yes
N18 N24 C54 107.3(5) . . . yes
N18 N24 Li6 118.2(6) . . . yes
C54 N24 Li6 130.9(6) . . . yes
N26 N25 N38 111.7(7) . . . yes
N26 N25 Li7 129.8(6) . . . yes
N38 N25 Li7 115.9(7) . . . yes
Sn6 N26 N25 121.5(6) . . . yes
Sn6 N26 C78 132.8(7) . . . yes
N25 N26 C78 105.6(8) . . . yes
Sn6 N27 Si9 109.2(4) . . . yes
Sn6 N27 Si10 126.9(4) . . . yes
Si9 N27 Si10 123.2(4) . . . yes
Sn6 N28 N29 126.0(5) . . . yes
Sn6 N28 C95 125.9(5) . . . yes
N29 N28 C95 107.6(7) . . . yes
N28 N29 N30 110.3(6) . . . yes
N28 N29 Li7 123.3(6) . . . yes
N30 N29 Li7 120.0(7) . . . yes
Sn7 N30 N29 126.5(4) . . . yes
Sn7 N30 C96 123.4(5) . . . yes
N29 N30 C96 108.7(6) . . . yes
Sn7 N31 Si11 112.0(3) . . . yes
Sn7 N31 Si12 126.2(3) . . . yes
Si11 N31 Si12 121.5(3) . . . yes
Sn7 N32 N33 120.3(4) . . . yes
Sn7 N32 C90 130.7(5) . . . yes
N33 N32 C90 107.0(6) . . . yes
N32 N33 N34 110.6(5) . . . yes
N32 N33 Li7 127.1(6) . . . yes
N34 N33 Li7 122.0(6) . . . yes
N33 N34 C89 107.9(6) . . . yes
N33 N34 Li8 113.1(6) . . . yes
C89 N34 Li8 138.4(7) . . . yes
N36 N35 C84 107.5(6) . . . yes
N36 N35 Li8 120.0(7) . . . yes
C84 N35 Li8 130.9(7) . . . yes
N35 N36 N37 111.7(6) . . . yes
N35 N36 Li1 125.4(6) . . . yes
N37 N36 Li1 122.0(6) . . . yes
Sn1 N37 N36 124.6(4) . . . yes
Sn1 N37 C83 128.1(6) . . . yes
N36 N37 C83 106.7(6) . . . yes
N25 N38 C77 106.7(8) . . . yes
N25 N38 Li8 116.2(8) . . . yes
C77 N38 Li8 136.8(8) . . . yes
N40 N39 C10 106.5(6) . . . yes
N40 N39 Li3 118.9(6) . . . yes
C10 N39 Li3 134.6(6) . . . yes
N39 N40 N41 111.9(5) . . . yes
N39 N40 Li2 119.8(6) . . . yes
N41 N40 Li2 128.3(6) . . . yes
Sn8 N41 N40 118.0(4) . . . yes
Sn8 N41 C11 130.2(5) . . . yes
N40 N41 C11 107.0(6) . . . yes
Sn8 N42 Si13 112.5(4) . . . yes
Sn8 N42 Si14 127.3(4) . . . yes
Si13 N42 Si14 120.2(5) . . . yes
Sn8 N43 N1 124.1(5) . . . yes
Sn8 N43 C108 127.2(6) . . . yes
N1 N43 C108 108.6(6) . . . yes
Sn1 N44 Si15 112.2(4) . . . yes
Sn1 N44 Si16 125.5(5) . . . yes
Si15 N44 Si16 121.5(5) . . . yes
Si13 C4 C7 64(2) . . . yes
Si13 C5 C8 80(2) . . . yes
Si13 C7 C4 80(2) . . . yes
Si13 C8 C5 57.8(17) . . . yes
N39 C10 C11 107.9(7) . . . yes
N39 C10 C15 130.3(8) . . . yes
C11 C10 C15 121.8(8) . . . no
N41 C11 C10 106.7(7) . . . yes
N41 C11 C12 132.6(8) . . . yes
C10 C11 C12 120.7(7) . . . no
C11 C12 C13 117.3(9) . . . no
C12 C13 C14 121.7(8) . . . no
C13 C14 C15 121.6(8) . . . no
C10 C15 C14 117.0(9) . . . no
N10 C23 C24 108.3(7) . . . yes
N10 C23 C28 131.5(8) . . . yes
C24 C23 C28 120.2(8) . . . no
N8 C24 C23 106.3(7) . . . yes
N8 C24 C25 132.2(7) . . . yes
C23 C24 C25 121.4(7) . . . no
C24 C25 C26 116.8(8) . . . no
C25 C26 C27 122.5(8) . . . no
C26 C27 C28 120.5(8) . . . no
C23 C28 C27 118.6(9) . . . no
N17 C35 C36 108.1(6) . . . yes
N17 C35 C40 131.2(6) . . . yes
C36 C35 C40 120.7(5) . . . no
N15 C36 C35 105.8(5) . . . yes
N15 C36 C37 132.2(6) . . . yes
C35 C36 C37 121.9(6) . . . no
C36 C37 C38 116.4(7) . . . no
C37 C38 C39 121.9(7) . . . no
C38 C39 C40 122.2(7) . . . no
C35 C40 C39 116.9(7) . . . no
N23 C47 C48 107.9(6) . . . yes
N23 C47 C52 132.0(8) . . . yes
C48 C47 C52 120.1(7) . . . no
N21 C48 C47 106.6(6) . . . yes
N21 C48 C49 131.4(7) . . . yes
C47 C48 C49 122.0(7) . . . no
C48 C49 C50 117.6(7) . . . no
C49 C50 C51 120.9(7) . . . no
C50 C51 C52 121.8(7) . . . no
C47 C52 C51 117.5(8) . . . no
N19 C53 C54 105.6(7) . . . yes
N19 C53 C58 132.2(7) . . . yes
C54 C53 C58 122.2(8) . . . no
N24 C54 C53 108.6(6) . . . yes
N24 C54 C55 131.3(6) . . . yes
C53 C54 C55 120.2(7) . . . no
C54 C55 C56 117.8(7) . . . no
C55 C56 C57 121.5(9) . . . no
C56 C57 C58 121.2(9) . . . no
C53 C58 C57 117.1(8) . . . no
N13 C59 C60 106.0(7) . . . yes
N13 C59 C64 132.2(7) . . . yes
C60 C59 C64 121.8(7) . . . no
N11 C60 C59 108.0(7) . . . yes
N11 C60 C61 131.5(7) . . . yes
C59 C60 C61 120.4(7) . . . no
C60 C61 C62 117.0(7) . . . no
C61 C62 C63 122.0(8) . . . no
C62 C63 C64 121.4(8) . . . no
C59 C64 C63 117.3(7) . . . no
N38 C77 C78 108.6(9) . . . yes
N38 C77 C82 129.9(11) . . . yes
C78 C77 C82 121.4(10) . . . no
N26 C78 C77 107.3(9) . . . yes
N26 C78 C79 129.9(11) . . . yes
C77 C78 C79 122.7(11) . . . no
C78 C79 C80 114.7(12) . . . no
C79 C80 C81 122.7(13) . . . no
C80 C81 C82 121.4(14) . . . no
C77 C82 C81 117.0(12) . . . no
N37 C83 C84 107.8(7) . . . yes
N37 C83 C88 131.8(8) . . . yes
C84 C83 C88 120.4(8) . . . no
N35 C84 C83 106.3(7) . . . yes
N35 C84 C85 130.9(8) . . . yes
C83 C84 C85 122.7(9) . . . no
C84 C85 C86 116.9(9) . . . no
C85 C86 C87 121.4(10) . . . no
C86 C87 C88 122.4(11) . . . no
C83 C88 C87 116.2(10) . . . no
N34 C89 C90 108.0(7) . . . yes
N34 C89 C94 131.6(7) . . . yes
C90 C89 C94 120.4(7) . . . no
N32 C90 C89 106.4(7) . . . yes
N32 C90 C91 131.2(7) . . . yes
C89 C90 C91 122.3(7) . . . no
C90 C91 C92 116.3(8) . . . no
C91 C92 C93 122.0(8) . . . no
C92 C93 C94 122.1(8) . . . no
C89 C94 C93 116.9(8) . . . no
N28 C95 C96 106.4(7) . . . yes
N28 C95 C100 131.9(8) . . . yes
C96 C95 C100 121.6(8) . . . no
N30 C96 C95 107.0(7) . . . yes
N30 C96 C97 131.5(7) . . . yes
C95 C96 C97 121.4(7) . . . no
C96 C97 C98 115.9(8) . . . no
C97 C98 C99 122.4(9) . . . no
C98 C99 C100 122.7(8) . . . no
C95 C100 C99 115.9(8) . . . no
Si14 C1 H1C 109.00 . . . no
H1A C1 H1B 110.00 . . . no
H1A C1 H1C 109.00 . . . no
H1B C1 H1C 110.00 . . . no
Si14 C1 H1A 109.00 . . . no
Si14 C1 H1B 110.00 . . . no
Si14 C2 H2A 109.00 . . . no
H2A C2 H2C 110.00 . . . no
H2B C2 H2C 110.00 . . . no
Si14 C2 H2B 109.00 . . . no
Si14 C2 H2C 110.00 . . . no
H2A C2 H2B 109.00 . . . no
Si14 C3 H3A 110.00 . . . no
Si14 C3 H3B 110.00 . . . no
Si14 C3 H3C 109.00 . . . no
H3B C3 H3C 109.00 . . . no
H3A C3 H3B 109.00 . . . no
H3A C3 H3C 109.00 . . . no
H4A C4 H4C 109.00 . . . no
H4B C4 H7B 126.00 . . . no
H4B C4 H4C 109.00 . . . no
H4A C4 H4B 109.00 . . . no
Si13 C4 H4A 109.00 . . . no
Si13 C4 H4B 110.00 . . . no
Si13 C4 H4C 109.00 . . . no
Si13 C4 H7B 112.00 . . . no
C7 C4 H4A 72.00 . . . no
C7 C4 H4B 173.00 . . . no
C7 C4 H4C 77.00 . . . no
C7 C4 H7B 57.00 . . . no
H4C C4 H7B 87.00 . . . no
H5A C5 H5C 110.00 . . . no
H5A C5 H8A 119.00 . . . no
H5B C5 H8A 99.00 . . . no
H5B C5 H5C 109.00 . . . no
Si13 C5 H5A 109.00 . . . no
Si13 C5 H5B 109.00 . . . no
Si13 C5 H5C 110.00 . . . no
Si13 C5 H8A 110.00 . . . no
C8 C5 H5A 159.00 . . . no
C8 C5 H5B 83.00 . . . no
C8 C5 H5C 50.00 . . . no
H5A C5 H5B 109.00 . . . no
Si13 C6 H6C 109.00 . . . no
H6A C6 H6B 109.00 . . . no
H6A C6 H6C 110.00 . . . no
H6B C6 H6C 110.00 . . . no
Si13 C6 H6A 109.00 . . . no
Si13 C6 H6B 109.00 . . . no
H4A C7 H7A 95.00 . . . no
N2 C107 C108 107.7(7) . . . yes
N2 C107 C112 130.8(8) . . . yes
C108 C107 C112 121.5(8) . . . no
H4A C7 H4C 76.00 . . . no
Si13 C7 H4A 106.00 . . . no
Si13 C7 H4C 103.00 . . . no
Si13 C7 H7A 109.00 . . . no
Si13 C7 H7B 110.00 . . . no
Si13 C7 H7C 110.00 . . . no
C4 C7 H4A 47.00 . . . no
C4 C7 H4C 45.00 . . . no
C4 C7 H7A 141.00 . . . no
C4 C7 H7C 102.00 . . . no
H7A C7 H7C 109.00 . . . no
H4A C7 H7C 126.00 . . . no
H4C C7 H7A 148.00 . . . no
H4C C7 H7B 58.00 . . . no
H4C C7 H7C 58.00 . . . no
H7A C7 H7B 109.00 . . . no
H7B C7 H7C 109.00 . . . no
N43 C108 C107 105.5(7) . . . yes
Si13 C8 H5C 87.00 . . . no
Si13 C8 H8A 109.00 . . . no
Si13 C8 H8B 110.00 . . . no
Si13 C8 H8C 109.00 . . . no
C5 C8 H8A 65.00 . . . no
C5 C8 H8B 92.00 . . . no
C5 C8 H8C 159.00 . . . no
H5C C8 H8B 112.00 . . . no
H5C C8 H8C 126.00 . . . no
H8A C8 H8B 110.00 . . . no
H8A C8 H8C 110.00 . . . no
H8B C8 H8C 109.00 . . . no
N43 C108 C109 134.1(8) . . . yes
C107 C108 C109 120.4(8) . . . no
Si13 C9 H9C 109.00 . . . no
Si13 C9 H9A 109.00 . . . no
Si13 C9 H9B 109.00 . . . no
H9B C9 H9C 109.00 . . . no
C108 C109 C110 118.8(9) . . . no
H9A C9 H9B 109.00 . . . no
H9A C9 H9C 110.00 . . . no
C109 C110 C111 121.1(10) . . . no
C110 C111 C112 122.0(9) . . . no
C107 C112 C111 116.2(8) . . . no
C11 C12 H12A 121.00 . . . no
C13 C12 H12A 121.00 . . . no
C14 C13 H13A 119.00 . . . no
C12 C13 H13A 119.00 . . . no
N4 C113 C114 106.2(7) . . . yes
N4 C113 C118 132.5(7) . . . yes
C114 C113 C118 121.3(8) . . . no
N6 C114 C113 108.2(7) . . . yes
N6 C114 C115 129.7(7) . . . yes
C113 C114 C115 122.1(7) . . . no
C13 C14 H14A 119.00 . . . no
C15 C14 H14A 119.00 . . . no
C114 C115 C116 116.7(7) . . . no
C10 C15 H15A 121.00 . . . no
C14 C15 H15A 122.00 . . . no
C115 C116 C117 120.4(9) . . . no
C116 C117 C118 123.2(9) . . . no
Si4 C17 H17C 109.00 . . . no
Si4 C17 H17A 109.00 . . . no
Si4 C17 H17B 109.00 . . . no
H17B C17 H17C 109.00 . . . no
H17A C17 H17B 109.00 . . . no
H17A C17 H17C 110.00 . . . no
H18B C18 H18C 109.00 . . . no
Si4 C18 H18A 110.00 . . . no
Si4 C18 H18B 110.00 . . . no
Si4 C18 H18C 109.00 . . . no
H18A C18 H18B 109.00 . . . no
H18A C18 H18C 109.00 . . . no
C113 C118 C117 116.4(8) . . . no
Si4 C19 H19B 110.00 . . . no
Si4 C19 H19C 109.00 . . . no
H19A C19 H19B 109.00 . . . no
H19A C19 H19C 110.00 . . . no
H19B C19 H19C 109.00 . . . no
Si4 C19 H19A 109.00 . . . no
Si3 C20 H20A 109.00 . . . no
Si3 C20 H20B 109.00 . . . no
H20A C20 H20B 110.00 . . . no
H20A C20 H20C 110.00 . . . no
H20B C20 H20C 109.00 . . . no
Si3 C20 H20C 110.00 . . . no
Si3 C21 H21B 109.00 . . . no
Si3 C21 H21C 109.00 . . . no
Si3 C21 H21A 109.00 . . . no
H21A C21 H21C 109.00 . . . no
H21B C21 H21C 109.00 . . . no
H21A C21 H21B 110.00 . . . no
Si3 C22 H22C 109.00 . . . no
H22A C22 H22B 110.00 . . . no
Si3 C22 H22A 109.00 . . . no
Si3 C22 H22B 110.00 . . . no
H22B C22 H22C 109.00 . . . no
H22A C22 H22C 109.00 . . . no
C24 C25 H25A 122.00 . . . no
C26 C25 H25A 122.00 . . . no
C27 C26 H26A 119.00 . . . no
C25 C26 H26A 119.00 . . . no
C26 C27 H27A 120.00 . . . no
C28 C27 H27A 120.00 . . . no
C27 C28 H28A 121.00 . . . no
C23 C28 H28A 121.00 . . . no
Si6 C29 H29A 109.00 . . . no
Si6 C29 H29B 109.00 . . . no
Si6 C29 H29C 110.00 . . . no
H29A C29 H29B 109.00 . . . no
H29A C29 H29C 109.00 . . . no
H29B C29 H29C 109.00 . . . no
Si6 C30 H30A 110.00 . . . no
Si6 C30 H30B 109.00 . . . no
Si6 C30 H30C 109.00 . . . no
H30A C30 H30B 110.00 . . . no
H30A C30 H30C 109.00 . . . no
H30B C30 H30C 109.00 . . . no
Si6 C31 H31A 109.00 . . . no
Si6 C31 H31B 109.00 . . . no
Si6 C31 H31C 109.00 . . . no
H31B C31 H31C 110.00 . . . no
H31A C31 H31B 110.00 . . . no
H31A C31 H31C 109.00 . . . no
H32A C32 H32B 110.00 . . . no
Si5 C32 H32A 109.00 . . . no
Si5 C32 H32B 109.00 . . . no
Si5 C32 H32C 110.00 . . . no
H32A C32 H32C 109.00 . . . no
H32B C32 H32C 109.00 . . . no
H33B C33 H33C 109.00 . . . no
Si5 C33 H33A 109.00 . . . no
Si5 C33 H33B 110.00 . . . no
Si5 C33 H33C 110.00 . . . no
H33A C33 H33B 109.00 . . . no
H33A C33 H33C 109.00 . . . no
Si5 C34 H34A 109.00 . . . no
Si5 C34 H34B 109.00 . . . no
Si5 C34 H34C 109.00 . . . no
H34A C34 H34B 110.00 . . . no
H34A C34 H34C 109.00 . . . no
H34B C34 H34C 110.00 . . . no
C36 C37 H37A 122.00 . . . no
C38 C37 H37A 122.00 . . . no
C37 C38 H38A 119.00 . . . no
C39 C38 H38A 119.00 . . . no
C38 C39 H39A 119.00 . . . no
C40 C39 H39A 119.00 . . . no
C35 C40 H40A 121.00 . . . no
C39 C40 H40A 122.00 . . . no
Si8 C41 H41A 110.00 . . . no
Si8 C41 H41B 109.00 . . . no
H41A C41 H41B 109.00 . . . no
H41A C41 H41C 110.00 . . . no
Si8 C41 H41C 110.00 . . . no
H41B C41 H41C 109.00 . . . no
Si8 C42 H42B 110.00 . . . no
Si8 C42 H42C 109.00 . . . no
Si8 C42 H42A 109.00 . . . no
H42A C42 H42C 109.00 . . . no
H42B C42 H42C 109.00 . . . no
H42A C42 H42B 110.00 . . . no
H43B C43 H43C 109.00 . . . no
H43A C43 H43C 109.00 . . . no
Si8 C43 H43A 110.00 . . . no
Si8 C43 H43B 110.00 . . . no
Si8 C43 H43C 110.00 . . . no
H43A C43 H43B 109.00 . . . no
Si7 C44 H44C 109.00 . . . no
H44A C44 H44B 110.00 . . . no
H44A C44 H44C 110.00 . . . no
H44B C44 H44C 109.00 . . . no
Si7 C44 H44A 109.00 . . . no
Si7 C44 H44B 109.00 . . . no
Si7 C45 H45B 109.00 . . . no
Si7 C45 H45A 109.00 . . . no
H45A C45 H45C 110.00 . . . no
Si7 C45 H45C 109.00 . . . no
H45A C45 H45B 110.00 . . . no
H45B C45 H45C 109.00 . . . no
Si7 C46 H46B 109.00 . . . no
Si7 C46 H46C 110.00 . . . no
H46A C46 H46C 109.00 . . . no
H46B C46 H46C 109.00 . . . no
H46A C46 H46B 110.00 . . . no
Si7 C46 H46A 109.00 . . . no
C50 C49 H49A 121.00 . . . no
C48 C49 H49A 121.00 . . . no
C51 C50 H50A 120.00 . . . no
C49 C50 H50A 119.00 . . . no
C50 C51 H51A 119.00 . . . no
C52 C51 H51A 119.00 . . . no
C47 C52 H52A 121.00 . . . no
C51 C52 H52A 121.00 . . . no
C56 C55 H55A 121.00 . . . no
C54 C55 H55A 121.00 . . . no
C55 C56 H56A 119.00 . . . no
C57 C56 H56A 119.00 . . . no
C58 C57 H57A 119.00 . . . no
C56 C57 H57A 119.00 . . . no
C53 C58 H58A 121.00 . . . no
C57 C58 H58A 121.00 . . . no
C60 C61 H61A 121.00 . . . no
C62 C61 H61A 121.00 . . . no
C63 C62 H62A 119.00 . . . no
C61 C62 H62A 119.00 . . . no
C62 C63 H63A 119.00 . . . no
C64 C63 H63A 119.00 . . . no
C63 C64 H64A 121.00 . . . no
C59 C64 H64A 121.00 . . . no
Si12 C65 H65C 109.00 . . . no
H65A C65 H65B 110.00 . . . no
H65A C65 H65C 109.00 . . . no
H65B C65 H65C 110.00 . . . no
Si12 C65 H65A 109.00 . . . no
Si12 C65 H65B 109.00 . . . no
Si12 C66 H66A 109.00 . . . no
Si12 C66 H66C 109.00 . . . no
H66A C66 H66B 110.00 . . . no
Si12 C66 H66B 109.00 . . . no
H66B C66 H66C 109.00 . . . no
H66A C66 H66C 110.00 . . . no
Si12 C67 H67B 110.00 . . . no
Si12 C67 H67A 110.00 . . . no
H67A C67 H67B 109.00 . . . no
H67A C67 H67C 109.00 . . . no
Si12 C67 H67C 110.00 . . . no
H67B C67 H67C 109.00 . . . no
H68A C68 H68C 109.00 . . . no
H68B C68 H68C 109.00 . . . no
Si11 C68 H68A 109.00 . . . no
Si11 C68 H68B 109.00 . . . no
Si11 C68 H68C 109.00 . . . no
H68A C68 H68B 110.00 . . . no
Si11 C69 H69A 109.00 . . . no
Si11 C69 H69B 110.00 . . . no
Si11 C69 H69C 109.00 . . . no
H69A C69 H69B 110.00 . . . no
H69A C69 H69C 109.00 . . . no
H69B C69 H69C 110.00 . . . no
Si11 C70 H70A 109.00 . . . no
Si11 C70 H70B 109.00 . . . no
Si11 C70 H70C 110.00 . . . no
H70A C70 H70B 109.00 . . . no
H70A C70 H70C 110.00 . . . no
H70B C70 H70C 110.00 . . . no
Si10 C71 H71A 109.00 . . . no
Si10 C71 H71B 109.00 . . . no
Si10 C71 H71C 109.00 . . . no
H71B C71 H71C 109.00 . . . no
H71A C71 H71B 110.00 . . . no
H71A C71 H71C 110.00 . . . no
H72A C72 H72B 109.00 . . . no
Si10 C72 H72A 110.00 . . . no
Si10 C72 H72B 109.00 . . . no
Si10 C72 H72C 109.00 . . . no
H72A C72 H72C 110.00 . . . no
H72B C72 H72C 109.00 . . . no
H73B C73 H73C 109.00 . . . no
Si10 C73 H73A 109.00 . . . no
Si10 C73 H73B 110.00 . . . no
Si10 C73 H73C 109.00 . . . no
H73A C73 H73B 110.00 . . . no
H73A C73 H73C 109.00 . . . no
Si9 C74 H74A 110.00 . . . no
Si9 C74 H74B 109.00 . . . no
Si9 C74 H74C 110.00 . . . no
H74A C74 H74B 109.00 . . . no
H74A C74 H74C 110.00 . . . no
H74B C74 H74C 109.00 . . . no
Si9 C75 H75A 110.00 . . . no
Si9 C75 H75B 109.00 . . . no
Si9 C75 H75C 109.00 . . . no
H75A C75 H75B 109.00 . . . no
H75A C75 H75C 109.00 . . . no
H75B C75 H75C 109.00 . . . no
Si9 C76 H76A 110.00 . . . no
Si9 C76 H76B 110.00 . . . no
Si9 C76 H76C 110.00 . . . no
H76A C76 H76B 110.00 . . . no
H76B C76 H76C 109.00 . . . no
H76A C76 H76C 109.00 . . . no
H79A C79 H79B 108.00 . . . no
C80 C79 H79B 109.00 . . . no
C78 C79 H79A 109.00 . . . no
C78 C79 H79B 109.00 . . . no
C80 C79 H79A 109.00 . . . no
C81 C80 H80A 119.00 . . . no
C79 C80 H80A 119.00 . . . no
C80 C81 H81A 119.00 . . . no
C82 C81 H81A 119.00 . . . no
H82A C82 H82B 107.00 . . . no
C81 C82 H82B 108.00 . . . no
C77 C82 H82A 108.00 . . . no
C77 C82 H82B 108.00 . . . no
C81 C82 H82A 108.00 . . . no
C86 C85 H85A 122.00 . . . no
C84 C85 H85A 122.00 . . . no
C87 C86 H86A 119.00 . . . no
C85 C86 H86A 119.00 . . . no
C88 C87 H87A 119.00 . . . no
C86 C87 H87A 119.00 . . . no
C83 C88 H88A 122.00 . . . no
C87 C88 H88A 122.00 . . . no
C90 C91 H91A 122.00 . . . no
C92 C91 H91A 122.00 . . . no
C93 C92 H92A 119.00 . . . no
C91 C92 H92A 119.00 . . . no
C92 C93 H93A 119.00 . . . no
C94 C93 H93A 119.00 . . . no
C93 C94 H94A 122.00 . . . no
C89 C94 H94A 122.00 . . . no
C96 C97 H97A 122.00 . . . no
C98 C97 H97A 122.00 . . . no
C97 C98 H98A 119.00 . . . no
C99 C98 H98A 119.00 . . . no
C98 C99 H99A 119.00 . . . no
C100 C99 H99A 119.00 . . . no
C95 C100 H10A 122.00 . . . no
C99 C100 H10A 122.00 . . . no
Si2 C101 H10B 109.00 . . . no
Si2 C101 H10C 109.00 . . . no
Si2 C101 H10D 109.00 . . . no
H10B C101 H10C 110.00 . . . no
H10B C101 H10D 109.00 . . . no
H10C C101 H10D 109.00 . . . no
Si2 C102 H10E 110.00 . . . no
Si2 C102 H10F 109.00 . . . no
H10E C102 H10F 109.00 . . . no
H10E C102 H10G 109.00 . . . no
H10F C102 H10G 109.00 . . . no
Si2 C102 H10G 110.00 . . . no
Si2 C103 H10H 110.00 . . . no
Si2 C103 H10I 110.00 . . . no
H10H C103 H10I 109.00 . . . no
H10H C103 H10J 109.00 . . . no
Si2 C103 H10J 110.00 . . . no
H10I C103 H10J 109.00 . . . no
Si1 C104 H10L 109.00 . . . no
Si1 C104 H10M 109.00 . . . no
Si1 C104 H10K 109.00 . . . no
H10K C104 H10M 110.00 . . . no
H10L C104 H10M 110.00 . . . no
H10K C104 H10L 109.00 . . . no
H10O C105 H10P 109.00 . . . no
Si1 C105 H10P 109.00 . . . no
Si1 C105 H10N 109.00 . . . no
Si1 C105 H10O 109.00 . . . no
H10N C105 H10O 110.00 . . . no
H10N C105 H10P 110.00 . . . no
Si1 C106 H10Q 109.00 . . . no
Si1 C106 H10S 109.00 . . . no
H10Q C106 H10R 109.00 . . . no
Si1 C106 H10R 109.00 . . . no
H10R C106 H10S 110.00 . . . no
H10Q C106 H10S 110.00 . . . no
C108 C109 H10T 121.00 . . . no
C110 C109 H10T 121.00 . . . no
C109 C110 H11A 119.00 . . . no
C111 C110 H11A 119.00 . . . no
C110 C111 H11B 119.00 . . . no
C112 C111 H11B 119.00 . . . no
C107 C112 H11C 122.00 . . . no
C111 C112 H11C 122.00 . . . no
C114 C115 H11D 122.00 . . . no
C116 C115 H11D 122.00 . . . no
C115 C116 H11E 120.00 . . . no
C117 C116 H11E 120.00 . . . no
C116 C117 H11F 118.00 . . . no
C118 C117 H11F 118.00 . . . no
C113 C118 H11G 122.00 . . . no
C117 C118 H11G 122.00 . . . no
Si16 C119 H11H 109.00 . . . no
Si16 C119 H11I 109.00 . . . no
Si16 C119 H11J 110.00 . . . no
H11H C119 H11I 109.00 . . . no
H11H C119 H11J 110.00 . . . no
H11I C119 H11J 109.00 . . . no
H12B C120 H12D 110.00 . . . no
Si16 C120 H12B 109.00 . . . no
Si16 C120 H12C 109.00 . . . no
Si16 C120 H12D 109.00 . . . no
H12B C120 H12C 110.00 . . . no
H12C C120 H12D 109.00 . . . no
H12F C121 H12G 110.00 . . . no
Si16 C121 H12E 109.00 . . . no
Si16 C121 H12F 109.00 . . . no
Si16 C121 H12G 109.00 . . . no
H12E C121 H12F 110.00 . . . no
H12E C121 H12G 109.00 . . . no
Si15 C122 H12I 110.00 . . . no
Si15 C122 H12H 109.00 . . . no
Si15 C122 H12J 109.00 . . . no
H12H C122 H12I 109.00 . . . no
H12H C122 H12J 109.00 . . . no
H12I C122 H12J 110.00 . . . no
Si15 C123 H12K 110.00 . . . no
Si15 C123 H12L 109.00 . . . no
Si15 C123 H12M 109.00 . . . no
H12K C123 H12L 110.00 . . . no
H12K C123 H12M 110.00 . . . no
H12L C123 H12M 109.00 . . . no
Si15 C124 H12N 109.00 . . . no
Si15 C124 H12O 110.00 . . . no
Si15 C124 H12P 110.00 . . . no
H12N C124 H12O 109.00 . . . no
H12N C124 H12P 109.00 . . . no
H12O C124 H12P 110.00 . . . no
C126 C125 C130 122.1(12) . . . no
C125 C126 C127 120.2(12) . . . no
C127 C126 C131 119.3(11) . . . no
C125 C126 C131 120.5(12) . . . no
C126 C127 C128 119.1(11) . . . no
C127 C128 C129 119.9(12) . . . no
C128 C129 C130 120.3(11) . . . no
C125 C130 C129 118.5(11) . . . no
C126 C125 H12Q 119.00 . . . no
C130 C125 H12Q 119.00 . . . no
C128 C127 H12R 120.00 . . . no
C126 C127 H12R 121.00 . . . no
C127 C128 H12S 120.00 . . . no
C129 C128 H12S 120.00 . . . no
C128 C129 H12T 120.00 . . . no
C130 C129 H12T 120.00 . . . no
C129 C130 H13B 121.00 . . . no
C125 C130 H13B 121.00 . . . no
H13C C131 H13D 110.00 . . . no
H13C C131 H13E 109.00 . . . no
H13D C131 H13E 109.00 . . . no
C126 C131 H13E 110.00 . . . no
C126 C131 H13D 109.00 . . . no
C126 C131 H13C 110.00 . . . no
C133 C132 C137 120.6(10) . . . no
C132 C133 C134 117.9(10) . . . no
C132 C133 C138 120.6(10) . . . no
C134 C133 C138 121.5(10) . . . no
C133 C134 C135 122.5(10) . . . no
C134 C135 C136 119.4(10) . . . no
C135 C136 C137 119.1(11) . . . no
C132 C137 C136 120.4(11) . . . no
C133 C132 H13F 120.00 . . . no
C137 C132 H13F 120.00 . . . no
C135 C134 H13G 119.00 . . . no
C133 C134 H13G 119.00 . . . no
C136 C135 H13H 120.00 . . . no
C134 C135 H13H 120.00 . . . no
C135 C136 H13I 121.00 . . . no
C137 C136 H13I 120.00 . . . no
C136 C137 H13J 120.00 . . . no
C132 C137 H13J 120.00 . . . no
C133 C138 H13M 109.00 . . . no
H13K C138 H13L 110.00 . . . no
H13K C138 H13M 110.00 . . . no
H13L C138 H13M 109.00 . . . no
C133 C138 H13K 110.00 . . . no
C133 C138 H13L 109.00 . . . no
C140 C139 C144 122.0(12) . . . no
C141 C140 C145 119.1(11) . . . no
C139 C140 C145 120.5(11) . . . no
C139 C140 C141 120.2(12) . . . no
C140 C141 C142 119.4(13) . . . no
C141 C142 C143 119.4(14) . . . no
C142 C143 C144 120.6(14) . . . no
C139 C144 C143 117.7(13) . . . no
C140 C139 H13N 119.00 . . . no
C144 C139 H13N 119.00 . . . no
C140 C141 H14B 120.00 . . . no
C142 C141 H14B 120.00 . . . no
C143 C142 H14C 120.00 . . . no
C141 C142 H14C 120.00 . . . no
C142 C143 H14D 120.00 . . . no
C144 C143 H14D 120.00 . . . no
C139 C144 H14E 121.00 . . . no
C143 C144 H14E 121.00 . . . no
H14F C145 H14H 110.00 . . . no
H14G C145 H14H 110.00 . . . no
C140 C145 H14F 109.00 . . . no
C140 C145 H14G 109.00 . . . no
C140 C145 H14H 109.00 . . . no
H14F C145 H14G 110.00 . . . no
Br1 Li1 Br2 129.4(5) . . . yes
Br1 Li1 N23 104.7(5) . . . yes
Br2 Li1 N36 100.7(5) . . . yes
Br1 Li1 N36 97.6(5) . . . yes
Br2 Li1 N23 107.9(5) . . . yes
N23 Li1 N36 117.0(7) . . . yes
N1 Li2 N5 102.4(6) . . . yes
Br2 Li2 N1 107.9(6) . . . yes
Br2 Li2 N5 108.2(6) . . . yes
Br2 Li2 N40 126.2(6) . . . yes
N1 Li2 N40 101.6(7) . . . yes
N5 Li2 N40 108.0(7) . . . yes
Br3 Li3 N6 116.6(6) . . . yes
Br3 Li3 N10 102.5(5) . . . yes
Br3 Li3 N39 103.7(6) . . . yes
N6 Li3 N10 111.8(7) . . . yes
N6 Li3 N39 106.9(6) . . . yes
N10 Li3 N39 115.5(6) . . . yes
N9 Li4 N11 126.5(6) . . . yes
Br3 Li4 N9 101.8(5) . . . yes
Br3 Li4 Br4 125.6(5) . . . yes
Br4 Li4 N11 103.2(5) . . . yes
Br3 Li4 N11 107.1(5) . . . yes
Br4 Li4 N9 94.8(5) . . . yes
Br2 Li5 N18 132.2(5) . . . yes
Br2 Li5 N17 105.2(5) . . . yes
Br2 Li5 N22 102.8(5) . . . yes
N17 Li5 N18 100.4(6) . . . yes
N17 Li5 N22 115.3(6) . . . yes
N18 Li5 N22 101.7(6) . . . yes
Br3 Li6 N12 100.9(5) . . . yes
Br3 Li6 N16 125.8(6) . . . yes
Br3 Li6 N24 115.7(5) . . . yes
N16 Li6 N24 99.0(5) . . . yes
N12 Li6 N16 103.7(5) . . . yes
N12 Li6 N24 111.1(6) . . . yes
N25 Li7 N33 108.4(7) . . . yes
Br3 Li7 N25 142.2(7) . . . yes
Br3 Li7 N29 98.1(6) . . . yes
Br3 Li7 N33 102.4(6) . . . yes
N25 Li7 N29 96.9(7) . . . yes
N29 Li7 N33 101.5(6) . . . yes
Br2 Li8 N34 114.6(8) . . . yes
Br2 Li8 N35 102.2(6) . . . yes
Br2 Li8 N38 101.6(6) . . . yes
N34 Li8 N35 117.4(8) . . . yes
N34 Li8 N38 104.3(7) . . . yes
N35 Li8 N38 116.0(9) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 Br1 2.6994(10) . . yes
Sn1 Si15 3.182(3) . . yes
Sn1 N37 2.290(6) . . yes
Sn1 N44 2.089(8) . . yes
Sn2 Si1 3.177(2) . . yes
Sn2 N2 2.306(7) . . yes
Sn2 N3 2.107(6) . . yes
Sn2 N4 2.273(6) . . yes
Sn3 Br4 2.7121(10) . . yes
Sn3 Si3 3.191(2) . . yes
Sn3 N7 2.099(6) . . yes
Sn3 N8 2.279(6) . . yes
Sn4 Si5 3.148(2) . . yes
Sn4 N13 2.260(5) . . yes
Sn4 N14 2.104(6) . . yes
Sn4 N15 2.241(6) . . yes
Sn5 Si7 3.204(2) . . yes
Sn5 N19 2.231(6) . . yes
Sn5 N20 2.115(6) . . yes
Sn5 N21 2.233(6) . . yes
Sn6 Si9 3.170(3) . . yes
Sn6 N26 2.231(8) . . yes
Sn6 N27 2.129(7) . . yes
Sn6 N28 2.296(7) . . yes
Sn7 Si11 3.187(2) . . yes
Sn7 N30 2.336(6) . . yes
Sn7 N31 2.105(6) . . yes
Sn7 N32 2.253(6) . . yes
Sn8 Si13 3.191(4) . . yes
Sn8 N41 2.270(6) . . yes
Sn8 N42 2.089(8) . . yes
Sn8 N43 2.297(6) . . yes
Br1 Li1 2.529(12) . . yes
Br2 Li1 2.535(12) . . yes
Br2 Li2 2.452(13) . . yes
Br2 Li5 2.536(12) . . yes
Br2 Li8 2.612(16) . . yes
Br3 Li3 2.535(13) . . yes
Br3 Li4 2.542(12) . . yes
Br3 Li6 2.513(12) . . yes
Br3 Li7 2.571(15) . . yes
Br4 Li4 2.542(12) . . yes
Si1 N3 1.728(6) . . yes
Si1 C104 1.892(11) . . yes
Si1 C105 1.867(10) . . yes
Si1 C106 1.856(12) . . yes
Si2 N3 1.742(6) . . yes
Si2 C101 1.875(11) . . yes
Si2 C102 1.868(10) . . yes
Si2 C103 1.871(8) . . yes
Si3 N7 1.721(7) . . yes
Si3 C20 1.871(11) . . yes
Si3 C21 1.871(10) . . yes
Si3 C22 1.875(11) . . yes
Si4 N7 1.742(7) . . yes
Si4 C17 1.877(8) . . yes
Si4 C18 1.871(9) . . yes
Si4 C19 1.869(9) . . yes
Si5 N14 1.745(6) . . yes
Si5 C32 1.860(9) . . yes
Si5 C33 1.879(10) . . yes
Si5 C34 1.873(9) . . yes
Si6 N14 1.737(6) . . yes
Si6 C29 1.885(11) . . yes
Si6 C30 1.869(8) . . yes
Si6 C31 1.882(8) . . yes
Si7 N20 1.716(6) . . yes
Si7 C44 1.871(10) . . yes
Si7 C45 1.852(9) . . yes
Si7 C46 1.876(8) . . yes
Si8 N20 1.753(6) . . yes
Si8 C41 1.873(9) . . yes
Si8 C42 1.877(8) . . yes
Si8 C43 1.857(9) . . yes
Si9 N27 1.751(8) . . yes
Si9 C74 1.886(12) . . yes
Si9 C75 1.865(12) . . yes
Si9 C76 1.836(16) . . yes
Si10 N27 1.727(8) . . yes
Si10 C71 1.859(11) . . yes
Si10 C72 1.867(10) . . yes
Si10 C73 1.850(11) . . yes
Si11 N31 1.730(7) . . yes
Si11 C68 1.868(9) . . yes
Si11 C69 1.870(8) . . yes
Si11 C70 1.874(9) . . yes
Si12 N31 1.752(7) . . yes
Si12 C65 1.864(8) . . yes
Si12 C66 1.855(8) . . yes
Si12 C67 1.874(8) . . yes
Si13 N42 1.742(9) . . yes
Si13 C4 1.88(3) . . yes
Si13 C5 1.76(3) . . yes
Si13 C6 1.90(3) . . yes
Si13 C7 1.72(3) . . yes
Si13 C8 2.06(3) . . yes
Si13 C9 1.92(3) . . yes
Si14 N42 1.756(8) . . yes
Si14 C1 1.848(14) . . yes
Si14 C2 1.756(17) . . yes
Si14 C3 1.830(14) . . yes
Si15 N44 1.736(9) . . yes
Si15 C122 1.910(12) . . yes
Si15 C123 1.875(11) . . yes
Si15 C124 1.872(11) . . yes
Si16 N44 1.735(9) . . yes
Si16 C119 1.977(15) . . yes
Si16 C120 1.815(14) . . yes
Si16 C121 1.834(19) . . yes
N1 N2 1.330(8) . . yes
N1 N43 1.321(11) . . yes
N1 Li2 2.019(15) . . yes
N2 C107 1.372(11) . . yes
N4 N5 1.366(8) . . yes
N4 C113 1.365(10) . . yes
N5 N6 1.330(9) . . yes
N5 Li2 2.002(15) . . yes
N6 C114 1.372(10) . . yes
N6 Li3 2.037(13) . . yes
N8 N9 1.319(8) . . yes
N8 C24 1.363(10) . . yes
N9 N10 1.334(8) . . yes
N9 Li4 2.064(12) . . yes
N10 C23 1.363(10) . . yes
N10 Li3 2.056(15) . . yes
N11 N12 1.321(8) . . yes
N11 C60 1.368(10) . . yes
N11 Li4 2.072(13) . . yes
N12 N13 1.341(8) . . yes
N12 Li6 2.009(13) . . yes
N13 C59 1.376(10) . . yes
N15 N16 1.353(7) . . yes
N15 C36 1.373(8) . . yes
N16 N17 1.334(8) . . yes
N16 Li6 2.015(12) . . yes
N17 C35 1.367(7) . . yes
N17 Li5 2.029(12) . . yes
N18 N19 1.347(8) . . yes
N18 N24 1.330(8) . . yes
N18 Li5 2.066(14) . . yes
N19 C53 1.383(10) . . yes
N21 N22 1.355(9) . . yes
N21 C48 1.364(9) . . yes
N22 N23 1.324(9) . . yes
N22 Li5 2.062(13) . . yes
N23 C47 1.365(10) . . yes
N23 Li1 2.032(14) . . yes
N24 C54 1.363(10) . . yes
N24 Li6 2.061(13) . . yes
N25 N26 1.357(11) . . yes
N25 N38 1.325(10) . . yes
N25 Li7 2.012(18) . . yes
N26 C78 1.368(14) . . yes
N28 N29 1.334(9) . . yes
N28 C95 1.390(11) . . yes
N29 N30 1.321(9) . . yes
N29 Li7 2.065(13) . . yes
N30 C96 1.369(10) . . yes
N32 N33 1.344(8) . . yes
N32 C90 1.395(10) . . yes
N33 N34 1.323(8) . . yes
N33 Li7 2.022(14) . . yes
N34 C89 1.370(10) . . yes
N34 Li8 2.016(17) . . yes
N35 N36 1.323(9) . . yes
N35 C84 1.380(12) . . yes
N35 Li8 2.006(17) . . yes
N36 N37 1.336(9) . . yes
N36 Li1 2.030(14) . . yes
N37 C83 1.369(10) . . yes
N38 C77 1.349(13) . . yes
N38 Li8 2.058(18) . . yes
N39 N40 1.330(9) . . yes
N39 C10 1.360(10) . . yes
N39 Li3 2.046(15) . . yes
N40 N41 1.342(9) . . yes
N40 Li2 1.967(14) . . yes
N41 C11 1.357(10) . . yes
N43 C108 1.379(10) . . yes
C4 C7 1.14(4) . . no
C5 C8 1.39(5) . . no
C10 C11 1.406(12) . . no
C10 C15 1.411(11) . . no
C11 C12 1.410(12) . . no
C12 C13 1.378(12) . . no
C13 C14 1.429(14) . . no
C14 C15 1.369(13) . . no
C23 C24 1.380(11) . . no
C23 C28 1.413(12) . . no
C24 C25 1.408(11) . . no
C25 C26 1.357(12) . . no
C26 C27 1.411(15) . . no
C27 C28 1.349(12) . . no
C35 C36 1.399(9) . . no
C35 C40 1.411(9) . . no
C36 C37 1.402(8) . . no
C37 C38 1.374(11) . . no
C38 C39 1.406(11) . . no
C39 C40 1.365(11) . . no
C47 C48 1.395(11) . . no
C47 C52 1.400(11) . . no
C48 C49 1.397(10) . . no
C49 C50 1.364(11) . . no
C50 C51 1.410(12) . . no
C51 C52 1.381(11) . . no
C53 C54 1.396(10) . . no
C53 C58 1.397(13) . . no
C54 C55 1.391(11) . . no
C55 C56 1.359(13) . . no
C56 C57 1.430(14) . . no
C57 C58 1.349(14) . . no
C59 C60 1.391(11) . . no
C59 C64 1.397(12) . . no
C60 C61 1.411(11) . . no
C61 C62 1.360(12) . . no
C62 C63 1.415(11) . . no
C63 C64 1.355(12) . . no
C77 C78 1.382(16) . . no
C77 C82 1.433(17) . . no
C78 C79 1.419(16) . . no
C79 C80 1.44(2) . . no
C80 C81 1.39(2) . . no
C81 C82 1.393(19) . . no
C83 C84 1.394(12) . . no
C83 C88 1.412(14) . . no
C84 C85 1.380(13) . . no
C85 C86 1.378(16) . . no
C86 C87 1.393(17) . . no
C87 C88 1.386(16) . . no
C89 C90 1.374(11) . . no
C89 C94 1.404(11) . . no
C90 C91 1.401(11) . . no
C91 C92 1.368(11) . . no
C92 C93 1.378(13) . . no
C93 C94 1.374(12) . . no
C95 C96 1.385(12) . . no
C95 C100 1.413(12) . . no
C96 C97 1.415(12) . . no
C97 C98 1.371(11) . . no
C98 C99 1.391(14) . . no
C99 C100 1.367(15) . . no
C1 H1C 0.9600 . . no
C1 H1A 0.9600 . . no
C1 H1B 0.9600 . . no
C2 H2B 0.9600 . . no
C2 H2A 0.9600 . . no
C2 H2C 0.9600 . . no
C3 H3A 0.9600 . . no
C3 H3B 0.9600 . . no
C3 H3C 0.9600 . . no
C4 H4C 0.9600 . . no
C4 H4A 0.9600 . . no
C4 H4B 0.9600 . . no
C4 H7B 0.6800 . . no
C5 H5A 0.9600 . . no
C5 H5B 0.9600 . . no
C5 H5C 0.9600 . . no
C6 H6B 0.9600 . . no
C6 H6C 0.9600 . . no
C6 H6A 0.9600 . . no
C7 H7A 0.9600 . . no
C7 H7B 0.9600 . . no
C107 C112 1.416(11) . . no
C107 C108 1.400(11) . . no
C7 H7C 0.9600 . . no
C108 C109 1.379(13) . . no
C8 H5C 1.0700 . . no
C8 H8A 0.9600 . . no
C8 H8B 0.9600 . . no
C8 H8C 0.9600 . . no
C9 H9A 0.9600 . . no
C9 H9B 0.9600 . . no
C109 C110 1.350(14) . . no
C9 H9C 0.9600 . . no
C110 C111 1.420(14) . . no
C111 C112 1.359(14) . . no
C12 H12A 0.9300 . . no
C113 C118 1.400(12) . . no
C13 H13A 0.9300 . . no
C113 C114 1.400(11) . . no
C114 C115 1.400(12) . . no
C14 H14A 0.9300 . . no
C15 H15A 0.9300 . . no
C115 C116 1.385(12) . . no
C116 C117 1.422(13) . . no
C117 C118 1.365(14) . . no
C17 H17A 0.9600 . . no
C17 H17B 0.9600 . . no
C17 H17C 0.9600 . . no
C18 H18A 0.9600 . . no
C18 H18B 0.9600 . . no
C18 H18C 0.9600 . . no
C19 H19A 0.9600 . . no
C19 H19B 0.9600 . . no
C19 H19C 0.9600 . . no
C20 H20A 0.9600 . . no
C20 H20B 0.9600 . . no
C20 H20C 0.9600 . . no
C21 H21A 0.9600 . . no
C21 H21B 0.9600 . . no
C21 H21C 0.9600 . . no
C22 H22A 0.9600 . . no
C22 H22B 0.9600 . . no
C22 H22C 0.9600 . . no
C25 H25A 0.9300 . . no
C26 H26A 0.9300 . . no
C27 H27A 0.9300 . . no
C28 H28A 0.9300 . . no
C29 H29A 0.9600 . . no
C29 H29B 0.9600 . . no
C29 H29C 0.9600 . . no
C30 H30A 0.9600 . . no
C30 H30B 0.9600 . . no
C30 H30C 0.9600 . . no
C31 H31A 0.9600 . . no
C31 H31B 0.9600 . . no
C31 H31C 0.9600 . . no
C32 H32A 0.9600 . . no
C32 H32B 0.9600 . . no
C32 H32C 0.9600 . . no
C33 H33A 0.9600 . . no
C33 H33B 0.9600 . . no
C33 H33C 0.9600 . . no
C34 H34A 0.9600 . . no
C34 H34B 0.9600 . . no
C34 H34C 0.9600 . . no
C37 H37A 0.9300 . . no
C38 H38A 0.9300 . . no
C39 H39A 0.9300 . . no
C40 H40A 0.9300 . . no
C41 H41A 0.9600 . . no
C41 H41B 0.9600 . . no
C41 H41C 0.9600 . . no
C42 H42A 0.9600 . . no
C42 H42B 0.9600 . . no
C42 H42C 0.9600 . . no
C43 H43A 0.9600 . . no
C43 H43B 0.9600 . . no
C43 H43C 0.9600 . . no
C44 H44A 0.9600 . . no
C44 H44B 0.9600 . . no
C44 H44C 0.9600 . . no
C45 H45A 0.9600 . . no
C45 H45B 0.9600 . . no
C45 H45C 0.9600 . . no
C46 H46A 0.9600 . . no
C46 H46B 0.9600 . . no
C46 H46C 0.9600 . . no
C49 H49A 0.9300 . . no
C50 H50A 0.9300 . . no
C51 H51A 0.9300 . . no
C52 H52A 0.9300 . . no
C55 H55A 0.9300 . . no
C56 H56A 0.9300 . . no
C57 H57A 0.9300 . . no
C58 H58A 0.9300 . . no
C61 H61A 0.9300 . . no
C62 H62A 0.9300 . . no
C63 H63A 0.9300 . . no
C64 H64A 0.9300 . . no
C65 H65A 0.9600 . . no
C65 H65B 0.9600 . . no
C65 H65C 0.9600 . . no
C66 H66A 0.9600 . . no
C66 H66B 0.9600 . . no
C66 H66C 0.9600 . . no
C67 H67A 0.9600 . . no
C67 H67B 0.9600 . . no
C67 H67C 0.9600 . . no
C68 H68A 0.9600 . . no
C68 H68B 0.9600 . . no
C68 H68C 0.9600 . . no
C69 H69A 0.9600 . . no
C69 H69B 0.9600 . . no
C69 H69C 0.9600 . . no
C70 H70A 0.9600 . . no
C70 H70B 0.9600 . . no
C70 H70C 0.9600 . . no
C71 H71A 0.9600 . . no
C71 H71B 0.9600 . . no
C71 H71C 0.9600 . . no
C72 H72A 0.9600 . . no
C72 H72B 0.9600 . . no
C72 H72C 0.9600 . . no
C73 H73A 0.9600 . . no
C73 H73B 0.9600 . . no
C73 H73C 0.9600 . . no
C74 H74A 0.9600 . . no
C74 H74B 0.9600 . . no
C74 H74C 0.9600 . . no
C75 H75A 0.9600 . . no
C75 H75B 0.9600 . . no
C75 H75C 0.9600 . . no
C76 H76A 0.9600 . . no
C76 H76B 0.9600 . . no
C76 H76C 0.9600 . . no
C79 H79A 0.9700 . . no
C79 H79B 0.9700 . . no
C80 H80A 0.9300 . . no
C81 H81A 0.9300 . . no
C82 H82A 0.9700 . . no
C82 H82B 0.9700 . . no
C85 H85A 0.9300 . . no
C86 H86A 0.9300 . . no
C87 H87A 0.9300 . . no
C88 H88A 0.9300 . . no
C91 H91A 0.9300 . . no
C92 H92A 0.9300 . . no
C93 H93A 0.9300 . . no
C94 H94A 0.9300 . . no
C97 H97A 0.9300 . . no
C98 H98A 0.9300 . . no
C99 H99A 0.9300 . . no
C100 H10A 0.9300 . . no
C101 H10B 0.9600 . . no
C101 H10C 0.9600 . . no
C101 H10D 0.9600 . . no
C102 H10E 0.9600 . . no
C102 H10F 0.9600 . . no
C102 H10G 0.9600 . . no
C103 H10H 0.9600 . . no
C103 H10I 0.9600 . . no
C103 H10J 0.9600 . . no
C104 H10K 0.9600 . . no
C104 H10L 0.9600 . . no
C104 H10M 0.9600 . . no
C105 H10N 0.9600 . . no
C105 H10O 0.9600 . . no
C105 H10P 0.9600 . . no
C106 H10Q 0.9600 . . no
C106 H10R 0.9600 . . no
C106 H10S 0.9600 . . no
C109 H10T 0.9300 . . no
C110 H11A 0.9300 . . no
C111 H11B 0.9300 . . no
C112 H11C 0.9300 . . no
C115 H11D 0.9300 . . no
C116 H11E 0.9300 . . no
C117 H11F 0.9300 . . no
C118 H11G 0.9300 . . no
C119 H11H 0.9600 . . no
C119 H11I 0.9600 . . no
C119 H11J 0.9600 . . no
C120 H12B 0.9600 . . no
C120 H12C 0.9600 . . no
C120 H12D 0.9600 . . no
C121 H12E 0.9600 . . no
C121 H12F 0.9600 . . no
C121 H12G 0.9600 . . no
C122 H12H 0.9600 . . no
C122 H12I 0.9600 . . no
C122 H12J 0.9600 . . no
C123 H12K 0.9600 . . no
C123 H12L 0.9600 . . no
C123 H12M 0.9600 . . no
C124 H12N 0.9600 . . no
C124 H12O 0.9600 . . no
C124 H12P 0.9600 . . no
C125 C126 1.364(17) . . no
C125 C130 1.367(17) . . no
C126 C127 1.35(2) . . no
C126 C131 1.508(19) . . no
C127 C128 1.382(18) . . no
C128 C129 1.399(18) . . no
C129 C130 1.353(18) . . no
C125 H12Q 0.9300 . . no
C127 H12R 0.9300 . . no
C128 H12S 0.9300 . . no
C129 H12T 0.9300 . . no
C130 H13B 0.9300 . . no
C131 H13C 0.9600 . . no
C131 H13D 0.9600 . . no
C131 H13E 0.9600 . . no
C132 C133 1.385(14) . . no
C132 C137 1.394(16) . . no
C133 C134 1.373(15) . . no
C133 C138 1.513(16) . . no
C134 C135 1.390(17) . . no
C135 C136 1.377(17) . . no
C136 C137 1.393(15) . . no
C132 H13F 0.9300 . . no
C134 H13G 0.9300 . . no
C135 H13H 0.9300 . . no
C136 H13I 0.9300 . . no
C137 H13J 0.9300 . . no
C138 H13K 0.9600 . . no
C138 H13L 0.9600 . . no
C138 H13M 0.9600 . . no
C139 C140 1.351(17) . . no
C139 C144 1.366(19) . . no
C140 C141 1.344(18) . . no
C140 C145 1.547(18) . . no
C141 C142 1.41(2) . . no
C142 C143 1.35(2) . . no
C143 C144 1.39(2) . . no
C139 H13N 0.9300 . . no
C141 H14B 0.9300 . . no
C142 H14C 0.9300 . . no
C143 H14D 0.9300 . . no
C144 H14E 0.9300 . . no
C145 H14F 0.9600 . . no
C145 H14G 0.9600 . . no
C145 H14H 0.9600 . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Sn1 C52 3.826(8) . . no
Sn2 Sn5 3.9439(8) . . no
Sn2 N21 3.903(6) . . no
Sn2 N22 3.672(5) . . no
Sn3 C61 3.928(8) . . no
Sn3 C130 3.806(11) . 1_655 no
Sn3 C133 3.801(10) . . no
Sn3 C134 3.895(11) . . no
Sn4 C90 3.803(8) . . no
Sn4 C91 3.652(10) . . no
Sn4 Sn7 3.9316(7) . . no
Sn5 Sn2 3.9439(8) . . no
Sn5 C118 3.695(8) . . no
Sn5 C113 3.948(7) . . no
Sn6 C11 3.757(8) . . no
Sn6 C10 3.891(8) . . no
Sn6 C12 3.863(8) . . no
Sn7 N12 3.694(6) . . no
Sn7 Br3 3.8544(9) . . no
Sn7 Sn4 3.9316(7) . . no
Sn1 H13D 3.1900 . 1_545 no
Sn1 H88A 3.4800 . . no
Sn1 H52A 2.9300 . . no
Sn2 H10H 3.4300 . . no
Sn2 H11C 3.4400 . . no
Sn3 H13M 3.4900 . . no
Sn3 H19A 3.4500 . . no
Sn3 H13B 3.4700 . 1_655 no
Sn3 H61A 3.0900 . . no
Sn4 H37A 3.5000 . . no
Sn4 H91A 3.5400 . . no
Sn4 H31A 3.4100 . . no
Sn4 H64A 3.5100 . . no
Sn5 H43C 3.5500 . . no
Sn5 H49A 3.3000 . . no
Sn5 H11G 3.4900 . . no
Sn5 H58A 3.3000 . . no
Sn6 H10A 3.4300 . . no
Sn6 H71C 3.4300 . . no
Sn7 H66B 3.4400 . . no
Sn7 H97A 3.3600 . . no
Sn8 H2A 3.2400 . . no
Sn8 H10T 3.4900 . . no
Br1 Si16 3.932(4) . . no
Br1 N36 3.447(6) . . no
Br1 N37 3.539(5) . . no
Br1 C107 3.576(8) . . no
Br1 C120 3.547(13) . . no
Br1 Li1 2.529(12) . . no
Br2 N36 3.530(6) . . no
Br2 Li7 3.687(12) . . no
Br3 N29 3.516(7) . . no
Br3 Sn7 3.8544(9) . . no
Br3 N9 3.586(6) . . no
Br3 N10 3.591(6) . . no
Br3 N12 3.500(6) . . no
Br3 N33 3.595(6) . . no
Br4 Li4 2.542(12) . . no
Br4 Si4 3.996(2) . . no
Br4 N8 3.451(6) . . no
Br4 N9 3.405(6) . . no
Br4 C19 3.711(8) . . no
Br4 C97 3.541(9) . . no
Br1 H12D 2.7400 . . no
Br4 H12Q 3.1600 . 1_655 no
Br4 H19A 2.8700 . . no
Si1 Si2 3.032(3) . . no
Si3 Si4 3.016(4) . . no
Si4 C24 3.984(8) . . no
Si4 C25 3.881(8) . . no
Si5 Si6 3.067(3) . . no
Si7 Si8 3.040(3) . . no
Si9 Si10 3.060(4) . . no
Si10 C79 3.774(12) . . no
Si10 C78 3.959(10) . . no
Si11 Si12 3.038(3) . . no
Si13 Si14 3.033(5) . . no
Si14 C109 3.945(11) . . no
Si14 C108 3.888(8) . . no
Si15 Si16 3.028(5) . . no
Si1 H10B 3.2800 . . no
Si1 H11C 3.3900 . . no
Si2 H10N 3.3800 . . no
Si3 H17A 3.0900 . . no
Si4 H21A 3.2600 . . no
Si5 H29C 3.3700 . . no
Si6 H64A 3.4800 . . no
Si6 H34A 3.2400 . . no
Si7 H41B 3.3000 . . no
Si7 H49A 3.4500 . . no
Si8 H46B 3.2600 . . no
Si9 H72C 3.4500 . . no
Si10 H79B 2.9100 . . no
Si10 H76A 3.4100 . . no
Si10 H76C 3.4100 . . no
Si11 H97A 3.4600 . . no
Si11 H67C 3.2400 . . no
Si12 H69A 3.1900 . . no
Si13 H3B 3.4400 . . no
Si13 H1C 3.3400 . . no
Si14 H6A 3.0400 . . no
Si14 H7A 3.3500 . . no
Si15 H12F 3.1200 . . no
Si15 H88A 3.5000 . . no
Si15 H87A 3.4000 . 2_557 no
Si16 H12L 3.4400 . . no
N1 N5 3.134(10) . . no
N1 N40 3.090(8) . . no
N2 Si2 3.710(7) . . no
N2 N3 3.188(10) . . no
N3 C104 2.998(12) . . no
N3 N2 3.188(10) . . no
N3 N4 3.284(8) . . no
N3 C105 2.992(10) . . no
N3 C106 2.961(13) . . no
N4 N3 3.284(8) . . no
N4 Si2 3.753(6) . . no
N4 C103 3.104(10) . . no
N5 N40 3.211(9) . . no
N5 N1 3.134(10) . . no
N6 N39 3.279(9) . . no
N7 C20 2.981(12) . . no
N7 C21 2.993(12) . . no
N7 C22 2.979(12) . . no
N7 N8 3.202(8) . . no
N8 Li4 3.022(12) . . no
N8 Si4 3.782(6) . . no
N8 N7 3.202(8) . . no
N8 Br4 3.451(6) . . no
N8 C19 3.236(11) . . no
N9 Br3 3.586(6) . . no
N9 Br4 3.405(6) . . no
N10 Br3 3.591(6) . . no
N12 N16 3.164(8) . . no
N12 Br3 3.500(6) . . no
N12 Sn7 3.694(6) . . no
N13 N15 3.258(8) . . no
N13 Si6 3.772(6) . . no
N13 N14 3.266(7) . . no
N13 C31 3.160(10) . . no
N14 C33 2.998(10) . . no
N14 N13 3.266(7) . . no
N14 C34 3.022(10) . . no
N14 N15 3.228(8) . . no
N14 C32 2.960(10) . . no
N15 Si6 3.776(7) . . no
N15 N13 3.258(8) . . no
N15 N14 3.228(8) . . no
N16 N12 3.164(8) . . no
N16 N24 3.100(8) . . no
N17 N18 3.145(8) . . no
N18 N22 3.202(8) . . no
N18 N17 3.145(8) . . no
N19 N20 3.261(8) . . no
N19 N21 3.214(8) . . no
N19 Si8 3.742(6) . . no
N19 C43 3.271(10) . . no
N20 C44 2.990(11) . . no
N20 N21 3.167(9) . . no
N20 N19 3.261(8) . . no
N20 C45 2.952(10) . . no
N20 C46 3.007(10) . . no
N21 Sn2 3.903(6) . . no
N21 N20 3.167(9) . . no
N21 Si8 3.626(6) . . no
N21 N19 3.214(8) . . no
N21 C43 3.229(11) . . no
N22 Sn2 3.672(5) . . no
N22 N18 3.202(8) . . no
N24 N16 3.100(8) . . no
N25 N33 3.271(10) . . no
N25 N29 3.050(10) . . no
N26 N27 3.227(10) . . no
N26 N28 3.205(11) . . no
N26 C71 3.286(13) . . no
N26 Si10 3.789(8) . . no
N27 C74 3.014(13) . . no
N27 N26 3.227(10) . . no
N27 N28 3.298(11) . . no
N27 C75 2.980(14) . . no
N27 C76 3.029(17) . . no
N28 C71 3.402(14) . . no
N28 Si10 3.740(8) . . no
N28 N26 3.205(11) . . no
N28 N27 3.298(11) . . no
N29 N25 3.050(10) . . no
N29 Br3 3.516(7) . . no
N29 N33 3.165(8) . . no
N30 N32 3.265(8) . . no
N30 Si12 3.628(6) . . no
N30 N31 3.205(8) . . no
N31 C69 3.002(10) . . no
N31 C68 2.970(11) . . no
N31 N30 3.205(8) . . no
N31 N32 3.254(8) . . no
N31 C70 2.974(11) . . no
N32 C66 3.093(10) . . no
N32 Si12 3.770(6) . . no
N32 N31 3.254(8) . . no
N32 N30 3.265(8) . . no
N33 N29 3.165(8) . . no
N33 Br3 3.595(6) . . no
N33 N25 3.271(10) . . no
N34 N38 3.218(10) . . no
N36 Br1 3.447(6) . . no
N36 Br2 3.530(6) . . no
N36 C120 3.448(15) . . no
N37 N44 3.136(11) . . no
N37 Br1 3.539(5) . . no
N37 Li1 2.964(15) . . no
N38 N34 3.218(10) . . no
N39 N6 3.279(9) . . no
N40 N5 3.211(9) . . no
N40 N1 3.090(8) . . no
N41 C2 3.346(15) . . no
N41 N43 3.243(9) . . no
N41 Si14 3.771(6) . . no
N41 N42 3.274(10) . . no
N42 C6 3.02(3) . . no
N42 C5 2.92(3) . . no
N42 N41 3.274(10) . . no
N42 C4 2.96(3) . . no
N42 C9 3.05(3) . . no
N42 C7 2.98(3) . . no
N42 N43 3.161(10) . . no
N42 C8 3.04(3) . . no
N43 N42 3.161(10) . . no
N43 C2 3.132(16) . . no
N43 N41 3.243(9) . . no
N43 Si14 3.661(8) . . no
N44 C123 2.985(14) . . no
N44 C124 2.996(13) . . no
N44 C122 3.002(14) . . no
N44 N37 3.136(11) . . no
N2 H10H 2.8400 . . no
N4 H10H 2.7700 . . no
N4 H10J 2.7400 . . no
N8 H19A 2.8400 . . no
N10 H11D 2.9100 . . no
N11 H55A 2.6100 . . no
N13 H31C 2.6600 . . no
N15 H31A 2.6900 . . no
N18 H43A 2.8200 . . no
N19 H43A 2.6000 . . no
N21 H43C 2.5000 . . no
N22 H43C 2.8600 . . no
N23 H40A 2.8100 . . no
N26 H71A 2.8600 . . no
N27 H79B 2.8900 . . no
N28 H71C 2.5700 . . no
N29 H66B 2.9000 . . no
N29 H71C 2.6300 . . no
N30 H66B 2.8300 . . no
N32 H66A 2.7500 . . no
N32 H66B 2.7200 . . no
N36 H12B 2.8200 . . no
N37 H12B 2.9100 . . no
N41 H2A 2.4700 . . no
N43 H2A 2.8600 . . no
N43 H2C 2.7300 . . no
C1 C6 3.19(4) . . no
C2 N43 3.132(16) . . no
C2 C108 3.515(16) . . no
C2 N41 3.346(15) . . no
C2 C144 3.58(2) . 2_666 no
C3 C7 3.49(4) . . no
C6 C1 3.19(4) . . no
C7 C3 3.49(4) . . no
C10 Sn6 3.891(8) . . no
C11 Sn6 3.757(8) . . no
C12 Sn6 3.863(8) . . no
C17 C20 3.599(16) . . no
C18 C21 3.577(17) . . no
C19 C24 3.345(12) . . no
C19 Br4 3.711(8) . . no
C19 N8 3.236(11) . . no
C20 C17 3.599(16) . . no
C21 C18 3.577(17) . . no
C24 C136 3.552(15) . . no
C24 Si4 3.984(8) . . no
C24 C19 3.345(12) . . no
C25 Si4 3.881(8) . . no
C25 C135 3.594(17) . . no
C30 C34 3.587(11) . . no
C31 N13 3.160(10) . . no
C34 C30 3.587(11) . . no
C35 C43 3.488(11) . . no
C35 C94 3.553(11) . . no
C35 C89 3.585(10) . . no
C36 C94 3.520(12) . . no
C36 C89 3.588(11) . . no
C37 C93 3.526(13) . . no
C39 C39 3.463(11) . 2_657 no
C42 C46 3.373(12) . . no
C43 C35 3.488(11) . . no
C43 N21 3.229(11) . . no
C43 N19 3.271(10) . . no
C46 C42 3.373(12) . . no
C52 Sn1 3.826(8) . . no
C54 C115 3.450(10) . . no
C61 Sn3 3.928(8) . . no
C65 C97 3.549(12) . . no
C66 N32 3.093(10) . . no
C66 C90 3.378(11) . . no
C71 N28 3.402(14) . . no
C71 C78 3.458(15) . . no
C71 N26 3.286(13) . . no
C73 C76 3.392(17) . . no
C76 C73 3.392(17) . . no
C78 Si10 3.959(10) . . no
C78 C71 3.458(15) . . no
C79 Si10 3.774(12) . . no
C85 C94 3.555(15) . . no
C89 C36 3.588(11) . . no
C89 C35 3.585(10) . . no
C90 Sn4 3.803(8) . . no
C90 C66 3.378(11) . . no
C91 Sn4 3.652(10) . . no
C93 C37 3.526(13) . . no
C94 C36 3.520(12) . . no
C94 C85 3.555(15) . . no
C94 C35 3.553(11) . . no
C97 Br4 3.541(9) . . no
C97 C65 3.549(12) . . no
C1 H6A 2.7300 . . no
C1 H6C 2.9900 . . no
C101 C106 3.599(14) . . no
C102 C112 3.564(12) . . no
C102 C105 3.528(13) . . no
C3 H4A 3.0800 . . no
C3 H7A 2.9800 . . no
C103 C113 3.484(11) . . no
C103 N4 3.104(10) . . no
C105 C102 3.528(13) . . no
C6 H1C 2.4000 . . no
C106 C101 3.599(14) . . no
C107 Br1 3.576(8) . . no
C7 H3B 2.8400 . . no
C108 C2 3.515(16) . . no
C108 Si14 3.888(8) . . no
C8 H79A 2.7900 . . no
C109 Si14 3.945(11) . . no
C9 H10T 2.9100 . . no
C10 H13N 2.9300 . 2_666 no
C12 H3A 2.8700 . . no
C12 H75B 2.9600 . . no
C112 C102 3.564(12) . . no
C13 H14G 3.0100 . 2_666 no
C113 Sn5 3.948(7) . . no
C113 C103 3.484(11) . . no
C14 H13N 3.0700 . 2_666 no
C15 H13N 2.9100 . 2_666 no
C115 C54 3.450(10) . . no
C17 H21A 3.0500 . . no
C17 H20A 2.9100 . . no
C118 Sn5 3.695(8) . . no
C19 H15A 3.0100 . . no
C20 H25A 2.9700 . . no
C120 N36 3.448(15) . . no
C120 Br1 3.547(13) . . no
C21 H18C 2.9400 . . no
C21 H11B 2.8600 . 1_665 no
C121 C122 3.28(2) . . no
C21 H17A 3.0100 . . no
C122 C121 3.28(2) . . no
C23 H15A 3.0900 . . no
C24 H19B 2.7000 . . no
C25 H19B 2.9600 . . no
C29 H34A 2.9200 . . no
C130 Sn3 3.806(11) . 1_455 no
C32 H64A 2.9700 . . no
C32 H70B 2.9600 . 2_767 no
C133 Sn3 3.801(10) . . no
C33 H51A 3.0900 . 2_657 no
C34 H29C 2.9400 . . no
C34 H30B 2.9100 . . no
C134 Sn3 3.895(11) . . no
C135 C25 3.594(17) . . no
C136 C24 3.552(15) . . no
C37 H30A 2.8900 . . no
C39 H39A 2.9600 . 2_657 no
C41 H12J 3.0700 . 1_655 no
C42 H46B 3.0900 . . no
C42 H46A 3.0200 . . no
C44 H58A 2.8400 . . no
C144 C2 3.58(2) . 2_666 no
C46 H42C 2.6800 . . no
C50 H38A 3.0600 . 2_657 no
C51 H38A 3.0100 . 2_657 no
C52 H38A 3.0500 . 2_657 no
C53 H43A 3.0700 . . no
C55 H13J 3.0300 . . no
C56 H13J 2.9800 . . no
C59 H31C 2.9400 . . no
C60 H55A 2.9900 . . no
C61 H13B 3.0200 . 1_655 no
C64 H29A 3.0600 . . no
C67 H68A 2.9300 . . no
C69 H65B 2.8900 . . no
C73 H76A 2.8200 . . no
C73 H79B 2.6700 . . no
C74 H10A 2.8500 . . no
C74 H14H 3.0900 . . no
C75 H4B 2.9300 . . no
C76 H73B 2.8800 . . no
C78 H71A 2.7300 . . no
C79 H73A 2.9100 . . no
C79 H71A 3.0800 . . no
C82 H12B 2.9900 . . no
C85 H94A 2.9000 . . no
C87 H12I 2.8800 . 2_557 no
C88 H12I 2.9400 . 2_557 no
C90 H66A 2.6700 . . no
C91 H66A 2.9000 . . no
C94 H85A 3.0000 . . no
C96 H65A 2.8600 . . no
C97 H65A 2.9900 . . no
C98 H46C 2.8500 . 1_565 no
C99 H46C 2.9700 . 1_565 no
C99 H45B 3.0600 . 1_565 no
C100 H72A 3.0900 . . no
C101 H10Q 2.9100 . . no
C102 H10O 3.0900 . . no
C105 H10F 2.7900 . . no
C106 H27A 3.0400 . 2_656 no
C108 H2C 2.8300 . . no
C109 H1A 2.9700 . . no
C112 H10E 2.9100 . . no
C113 H10J 2.7800 . . no
C115 H13J 3.0400 . . no
C116 H10D 3.0300 . 2_656 no
C117 H14D 3.0400 . 1_545 no
C120 H82A 2.7000 . . no
C121 H12J 2.8100 . . no
C122 H87A 2.9300 . 2_557 no
C122 H12F 2.9400 . . no
C122 H12E 2.9600 . . no
C123 H41B 3.0200 . 1_455 no
C125 H34C 3.0900 . 2_667 no
C130 H34C 2.9300 . 2_667 no
C132 H8B 3.0400 . 1_655 no
C133 H8B 2.9700 . 1_655 no
C134 H4C 2.9800 . 1_655 no
C137 H11D 3.1000 . . no
C138 H22C 3.0800 . . no
C138 H75A 3.0100 . 1_655 no
C138 H8B 3.0500 . 1_655 no
C139 H28A 3.0500 . 2_666 no
C141 H45C 3.1000 . 1_565 no
C143 H2B 3.0500 . 2_666 no
C143 H11F 3.0500 . 1_565 no
C144 H2B 2.9700 . 2_666 no
C144 H28A 2.8600 . 2_666 no
Li7 Br2 3.687(12) . . no
H1A C109 2.9700 . . no
H1A H2C 2.5700 . . no
H1C C6 2.4000 . . no
H1C Si13 3.3400 . . no
H1C H6A 1.9600 . . no
H1C H6C 2.1500 . . no
H2A N43 2.8600 . . no
H2A Sn8 3.2400 . . no
H2A N41 2.4700 . . no
H2B C144 2.9700 . 2_666 no
H2B C143 3.0500 . 2_666 no
H2C H1A 2.5700 . . no
H2C C108 2.8300 . . no
H2C N43 2.7300 . . no
H3A H12A 2.3700 . . no
H3A C12 2.8700 . . no
H3B H7A 2.1900 . . no
H3B Si13 3.4400 . . no
H3B C7 2.8400 . . no
H3B H4A 2.5300 . . no
H3B H6A 2.5600 . . no
H4A C3 3.0800 . . no
H4A H17A 2.4600 . 2_666 no
H4A H3B 2.5300 . . no
H4B H8C 1.7500 . . no
H4B C75 2.9300 . . no
H4B H75A 2.5700 . . no
H4B H8B 2.3800 . . no
H4C C134 2.9800 . 1_455 no
H4C H8B 2.4100 . . no
H5B H9B 1.8500 . . no
H6A H3B 2.5600 . . no
H6A Si14 3.0400 . . no
H6A C1 2.7300 . . no
H6A H1C 1.9600 . . no
H6A H7A 1.3900 . . no
H6A H7C 2.4300 . . no
H6B H9B 1.9900 . . no
H6B H7A 1.8900 . . no
H6B H7C 1.6600 . . no
H6C C1 2.9900 . . no
H6C H1C 2.1500 . . no
H7A H6B 1.8900 . . no
H7A H3B 2.1900 . . no
H7A H6A 1.3900 . . no
H7A Si14 3.3500 . . no
H7A C3 2.9800 . . no
H7C H6B 1.6600 . . no
H7C H6A 2.4300 . . no
H8B C133 2.9700 . 1_455 no
H8B H4C 2.4100 . . no
H8B C132 3.0400 . 1_455 no
H8B C138 3.0500 . 1_455 no
H8B H4B 2.3800 . . no
H8B H13L 2.4900 . 1_455 no
H8C H79A 2.3100 . . no
H8C H4B 1.7500 . . no
H9B H5B 1.8500 . . no
H9B H6B 1.9900 . . no
H9C H10T 2.3900 . . no
H10A H74A 2.4600 . . no
H10A Sn6 3.4300 . . no
H10A C74 2.8500 . . no
H10A H74C 2.4600 . . no
H10B H10N 2.4500 . . no
H10B Si1 3.2800 . . no
H10C H10Q 2.5100 . . no
H10D C116 3.0300 . 2_656 no
H10E C112 2.9100 . . no
H10F H10O 2.2800 . . no
H10F C105 2.7900 . . no
H10H Sn2 3.4300 . . no
H10H N4 2.7700 . . no
H10H N2 2.8400 . . no
H10I H14D 2.4100 . 2_666 no
H10J C113 2.7800 . . no
H10J N4 2.7400 . . no
H10M H76C 2.5600 . 1_545 no
H10N Si2 3.3800 . . no
H10N H10B 2.4500 . . no
H10O C102 3.0900 . . no
H10O H10F 2.2800 . . no
H10Q H27A 2.5100 . 2_656 no
H10Q C101 2.9100 . . no
H10Q H10C 2.5100 . . no
H10S H45C 2.5200 . . no
H10T Sn8 3.4900 . . no
H10T C9 2.9100 . . no
H10T H9C 2.3900 . . no
H11B H21C 2.5800 . 1_445 no
H11B H21B 2.5700 . 1_445 no
H11B C21 2.8600 . 1_445 no
H11C Si1 3.3900 . . no
H11C Sn2 3.4400 . . no
H11D H13J 2.4500 . . no
H11D N10 2.9100 . . no
H11D C137 3.1000 . . no
H11F H14D 2.4000 . 1_545 no
H11F C143 3.0500 . 1_545 no
H11G Sn5 3.4900 . . no
H12A H3A 2.3700 . . no
H12B H82A 2.0300 . . no
H12B C82 2.9900 . . no
H12B N37 2.9100 . . no
H12B N36 2.8200 . . no
H12C H82A 2.5700 . . no
H12D Br1 2.7400 . . no
H12E H12J 2.5500 . . no
H12E C122 2.9600 . . no
H12F C122 2.9400 . . no
H12F H12J 2.3200 . . no
H12F H12L 2.5800 . . no
H12F Si15 3.1200 . . no
H12I H87A 2.2600 . 2_557 no
H12I C87 2.8800 . 2_557 no
H12I C88 2.9400 . 2_557 no
H12I H88A 2.4200 . 2_557 no
H12J C121 2.8100 . . no
H12J H12F 2.3200 . . no
H12J C41 3.0700 . 1_455 no
H12J H12E 2.5500 . . no
H12L H12F 2.5800 . . no
H12L Si16 3.4400 . . no
H12L H44C 2.4000 . 1_455 no
H12L H41B 2.5800 . 1_455 no
H12P H88A 2.5000 . . no
H12Q Br4 3.1600 . 1_455 no
H12Q H13E 2.3500 . . no
H12R H13C 2.5100 . . no
H13B C61 3.0200 . 1_455 no
H13B Sn3 3.4700 . 1_455 no
H13C H12R 2.5100 . . no
H13D Sn1 3.1900 . 1_565 no
H13E H12Q 2.3500 . . no
H13F H13L 2.5400 . . no
H13G H20C 2.5500 . 2_766 no
H13G H13K 2.4000 . . no
H13J H11D 2.4500 . . no
H13J C55 3.0300 . . no
H13J C56 2.9800 . . no
H13J C115 3.0400 . . no
H13K H75A 2.3100 . 1_655 no
H13K H13G 2.4000 . . no
H13L H8B 2.4900 . 1_655 no
H13L H13F 2.5400 . . no
H13M H61A 2.5200 . . no
H13M Sn3 3.4900 . . no
H13N C15 2.9100 . 2_666 no
H13N H14G 2.4500 . . no
H13N C10 2.9300 . 2_666 no
H13N C14 3.0700 . 2_666 no
H14B H99A 2.5500 . . no
H14B H14F 2.3600 . . no
H14C H44A 2.5300 . 1_565 no
H14D H10I 2.4100 . 2_666 no
H14D C117 3.0400 . 1_565 no
H14D H11F 2.4000 . 1_565 no
H14E H28A 2.5000 . 2_666 no
H14F H14B 2.3600 . . no
H14F H19C 2.5100 . . no
H14G C13 3.0100 . 2_666 no
H14G H13N 2.4500 . . no
H14H H74C 2.5700 . . no
H14H C74 3.0900 . . no
H15A C19 3.0100 . . no
H15A C23 3.0900 . . no
H15A H19B 2.5300 . . no
H17A H21A 2.2900 . . no
H17A H4A 2.4600 . 2_666 no
H17A Si3 3.0900 . . no
H17A H20A 2.4900 . . no
H17A C21 3.0100 . . no
H18C C21 2.9400 . . no
H18C H21A 2.6000 . . no
H18C H21C 2.5700 . . no
H19A Br4 2.8700 . . no
H19A Sn3 3.4500 . . no
H19A N8 2.8400 . . no
H19B C24 2.7000 . . no
H19B C25 2.9600 . . no
H19B H15A 2.5300 . . no
H19C H14F 2.5100 . . no
H20A H17A 2.4900 . . no
H20A C17 2.9100 . . no
H20C H13G 2.5500 . 2_766 no
H21A C17 3.0500 . . no
H21A H17A 2.2900 . . no
H21A Si4 3.2600 . . no
H21A H18C 2.6000 . . no
H21B H11B 2.5700 . 1_665 no
H21C H18C 2.5700 . . no
H21C H11B 2.5800 . 1_665 no
H22C C138 3.0800 . . no
H25A C20 2.9700 . . no
H27A C106 3.0400 . 2_656 no
H27A H10Q 2.5100 . 2_656 no
H28A H14E 2.5000 . 2_666 no
H28A C139 3.0500 . 2_666 no
H28A C144 2.8600 . 2_666 no
H29A C64 3.0600 . . no
H29A H64A 2.5000 . . no
H29C C34 2.9400 . . no
H29C H34A 2.1300 . . no
H29C Si5 3.3700 . . no
H29C H69C 2.5600 . 2_767 no
H30A C37 2.8900 . . no
H30B H34B 2.3600 . . no
H30B C34 2.9100 . . no
H31A Sn4 3.4100 . . no
H31A N15 2.6900 . . no
H31C N13 2.6600 . . no
H31C C59 2.9400 . . no
H32A H70B 2.5400 . 2_767 no
H32A H64A 2.5000 . . no
H32B H70B 2.5900 . 2_767 no
H33A H51A 2.4400 . 2_657 no
H33A H37A 2.5500 . . no
H34A Si6 3.2400 . . no
H34A C29 2.9200 . . no
H34A H29C 2.1300 . . no
H34B H51A 2.5400 . 2_657 no
H34B H30B 2.3600 . . no
H34C C125 3.0900 . 2_667 no
H34C C130 2.9300 . 2_667 no
H37A Sn4 3.5000 . . no
H37A H33A 2.5500 . . no
H38A C52 3.0500 . 2_657 no
H38A C50 3.0600 . 2_657 no
H38A C51 3.0100 . 2_657 no
H39A C39 2.9600 . 2_657 no
H40A N23 2.8100 . . no
H41B H46B 2.5500 . . no
H41B Si7 3.3000 . . no
H41B H12L 2.5800 . 1_655 no
H41B C123 3.0200 . 1_655 no
H42C C46 2.6800 . . no
H42C H46B 2.3400 . . no
H42C H46A 2.3100 . . no
H43A N19 2.6000 . . no
H43A N18 2.8200 . . no
H43A C53 3.0700 . . no
H43C N21 2.5000 . . no
H43C Sn5 3.5500 . . no
H43C N22 2.8600 . . no
H44A H58A 2.4000 . . no
H44A H14C 2.5300 . 1_545 no
H44C H12L 2.4000 . 1_655 no
H45A H49A 2.4900 . . no
H45B C99 3.0600 . 1_545 no
H45C C141 3.1000 . 1_545 no
H45C H10S 2.5200 . . no
H46A H42C 2.3100 . . no
H46A C42 3.0200 . . no
H46B C42 3.0900 . . no
H46B Si8 3.2600 . . no
H46B H41B 2.5500 . . no
H46B H42C 2.3400 . . no
H46C C98 2.8500 . 1_545 no
H46C C99 2.9700 . 1_545 no
H49A H45A 2.4900 . . no
H49A Si7 3.4500 . . no
H49A Sn5 3.3000 . . no
H51A H33A 2.4400 . 2_657 no
H51A H34B 2.5400 . 2_657 no
H51A C33 3.0900 . 2_657 no
H52A Sn1 2.9300 . . no
H55A N11 2.6100 . . no
H55A C60 2.9900 . . no
H58A C44 2.8400 . . no
H58A H44A 2.4000 . . no
H58A Sn5 3.3000 . . no
H61A Sn3 3.0900 . . no
H61A H13M 2.5200 . . no
H64A Sn4 3.5100 . . no
H64A H32A 2.5000 . . no
H64A H29A 2.5000 . . no
H64A Si6 3.4800 . . no
H64A C32 2.9700 . . no
H65A C96 2.8600 . . no
H65A C97 2.9900 . . no
H65B C69 2.8900 . . no
H65B H69A 2.4800 . . no
H65B H86A 2.4400 . 2_667 no
H66A C90 2.6700 . . no
H66A C91 2.9000 . . no
H66A N32 2.7500 . . no
H66A H66C 2.5700 . 2_667 no
H66B N29 2.9000 . . no
H66B Sn7 3.4400 . . no
H66B H71C 2.5300 . . no
H66B N30 2.8300 . . no
H66B N32 2.7200 . . no
H66C H66A 2.5700 . 2_667 no
H67A H68A 2.5900 . . no
H67C Si11 3.2400 . . no
H67C H68A 2.5700 . . no
H67C H69A 2.3900 . . no
H68A H67C 2.5700 . . no
H68A H67A 2.5900 . . no
H68A C67 2.9300 . . no
H69A H86A 2.5000 . 2_667 no
H69A Si12 3.1900 . . no
H69A H65B 2.4800 . . no
H69A H67C 2.3900 . . no
H69C H29C 2.5600 . 2_767 no
H70B C32 2.9600 . 2_767 no
H70B H32A 2.5400 . 2_767 no
H70B H32B 2.5900 . 2_767 no
H71A H79B 2.5900 . . no
H71A N26 2.8600 . . no
H71A C78 2.7300 . . no
H71A C79 3.0800 . . no
H71C N28 2.5700 . . no
H71C N29 2.6300 . . no
H71C Sn6 3.4300 . . no
H71C H66B 2.5300 . . no
H72A C100 3.0900 . . no
H72C H76C 2.5300 . . no
H72C Si9 3.4500 . . no
H73A C79 2.9100 . . no
H73A H79B 1.9900 . . no
H73B C76 2.8800 . . no
H73B H76A 2.3100 . . no
H74A H10A 2.4600 . . no
H74C H14H 2.5700 . . no
H74C H10A 2.4600 . . no
H75A H13K 2.3100 . 1_455 no
H75A C138 3.0100 . 1_455 no
H75A H4B 2.5700 . . no
H75B C12 2.9600 . . no
H76A Si10 3.4100 . . no
H76A C73 2.8200 . . no
H76A H73B 2.3100 . . no
H76C H10M 2.5600 . 1_565 no
H76C Si10 3.4100 . . no
H76C H72C 2.5300 . . no
H79A C8 2.7900 . . no
H79A H8C 2.3100 . . no
H79B H73A 1.9900 . . no
H79B Si10 2.9100 . . no
H79B N27 2.8900 . . no
H79B C73 2.6700 . . no
H79B H71A 2.5900 . . no
H82A H12B 2.0300 . . no
H82A H12C 2.5700 . . no
H82A C120 2.7000 . . no
H85A C94 3.0000 . . no
H85A H94A 2.5400 . . no
H86A H69A 2.5000 . 2_667 no
H86A H65B 2.4400 . 2_667 no
H87A Si15 3.4000 . 2_557 no
H87A C122 2.9300 . 2_557 no
H87A H12I 2.2600 . 2_557 no
H88A H12I 2.4200 . 2_557 no
H88A Sn1 3.4800 . . no
H88A Si15 3.5000 . . no
H88A H12P 2.5000 . . no
H91A Sn4 3.5400 . . no
H94A H85A 2.5400 . . no
H94A C85 2.9000 . . no
H97A Sn7 3.3600 . . no
H97A Si11 3.4600 . . no
H99A H14B 2.5500 . . no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C2 H2A N41 0.9600 2.4700 3.346(15) 152.00 . yes
C120 H12D Br1 0.9600 2.7400 3.547(13) 142.00 . yes
C19 H19A Br4 0.9600 2.8700 3.711(8) 147.00 . yes
C43 H43A N19 0.9600 2.6000 3.271(10) 127.00 . yes
C43 H43C N21 0.9600 2.5000 3.229(11) 133.00 . yes
C55 H55A N11 0.9300 2.6100 3.468(10) 153.00 . yes
C71 H71C N28 0.9600 2.5700 3.402(14) 145.00 . yes
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
_geom_torsion_publ_flag
Si15 Sn1 Br1 Li1 131.6(3) . . . . no
N37 Sn1 Br1 Li1 22.6(3) . . . . no
N44 Sn1 Br1 Li1 114.0(4) . . . . no
N44 Sn1 N37 C83 59.6(7) . . . . no
N44 Sn1 Si15 C123 88.1(6) . . . . no
Br1 Sn1 Si15 C124 149.9(3) . . . . no
N37 Sn1 Si15 C124 -108.0(4) . . . . no
N44 Sn1 Si15 C124 -174.4(6) . . . . no
N37 Sn1 N44 Si16 72.8(5) . . . . no
N44 Sn1 Si15 C122 -74.1(6) . . . . no
Br1 Sn1 Si15 C123 52.4(4) . . . . no
N37 Sn1 Si15 C123 154.5(4) . . . . no
Br1 Sn1 Si15 N44 -35.7(4) . . . . no
N37 Sn1 Si15 N44 66.4(5) . . . . no
Br1 Sn1 Si15 C122 -109.8(4) . . . . no
N37 Sn1 Si15 C122 -7.7(5) . . . . no
Br1 Sn1 N37 N36 -7.1(6) . . . . no
Si15 Sn1 N37 N36 -137.4(6) . . . . no
N44 Sn1 N37 N36 -109.9(6) . . . . no
Si15 Sn1 N37 C83 32.0(7) . . . . no
N37 Sn1 N44 Si15 -117.6(4) . . . . no
Br1 Sn1 N44 Si16 -17.5(5) . . . . no
Si15 Sn1 N44 Si16 -169.7(9) . . . . no
Br1 Sn1 N37 C83 162.3(7) . . . . no
Br1 Sn1 N44 Si15 152.2(3) . . . . no
N2 Sn2 Si1 C105 -5.1(5) . . . . no
N4 Sn2 N3 Si2 -41.7(5) . . . . no
N4 Sn2 Si1 C104 150.6(5) . . . . no
N4 Sn2 Si1 C105 -110.4(5) . . . . no
N2 Sn2 Si1 C106 154.0(4) . . . . no
N2 Sn2 N3 Si2 51.3(5) . . . . no
N3 Sn2 Si1 C104 -159.9(7) . . . . no
N4 Sn2 Si1 N3 -49.5(5) . . . . no
Si1 Sn2 N4 N5 159.7(4) . . . . no
N3 Sn2 Si1 C105 -60.9(7) . . . . no
N2 Sn2 N3 Si1 -129.3(4) . . . . no
N4 Sn2 N3 Si1 137.7(4) . . . . no
Si1 Sn2 N3 Si2 -179.4(9) . . . . no
N2 Sn2 Si1 C104 -104.1(5) . . . . no
N3 Sn2 Si1 C106 98.1(6) . . . . no
N4 Sn2 Si1 C106 48.6(4) . . . . no
N3 Sn2 N4 C113 -61.6(6) . . . . no
N2 Sn2 N4 N5 44.2(4) . . . . no
N3 Sn2 N4 N5 136.9(5) . . . . no
Si1 Sn2 N4 C113 -38.8(6) . . . . no
N2 Sn2 N4 C113 -154.3(5) . . . . no
N2 Sn2 Si1 N3 55.8(5) . . . . no
N4 Sn2 N2 N1 -41.8(5) . . . . no
Si1 Sn2 N2 C107 37.9(6) . . . . no
N4 Sn2 N2 C107 159.9(6) . . . . no
N3 Sn2 N2 N1 -138.9(5) . . . . no
N3 Sn2 N2 C107 62.7(6) . . . . no
Si1 Sn2 N2 N1 -163.7(5) . . . . no
N8 Sn3 Si3 C22 -139.1(4) . . . . no
Br4 Sn3 Si3 C22 118.8(3) . . . . no
N8 Sn3 Si3 C21 122.8(6) . . . . no
N7 Sn3 Si3 C22 166.3(5) . . . . no
Si3 Sn3 N7 Si4 -172.3(6) . . . . no
N8 Sn3 Br4 Li4 40.2(3) . . . . no
Br4 Sn3 N7 Si4 -31.2(4) . . . . no
Si3 Sn3 N8 C24 15.0(7) . . . . no
Si3 Sn3 Br4 Li4 155.6(3) . . . . no
Br4 Sn3 N8 N9 -38.7(5) . . . . no
Br4 Sn3 Si3 N7 -47.5(3) . . . . no
N8 Sn3 Si3 N7 54.6(4) . . . . no
N8 Sn3 N7 Si4 56.6(4) . . . . no
Br4 Sn3 N8 C24 140.3(7) . . . . no
N8 Sn3 Si3 C20 -38.8(5) . . . . no
N7 Sn3 Si3 C21 68.2(6) . . . . no
N7 Sn3 N8 C24 39.0(7) . . . . no
Br4 Sn3 N7 Si3 141.1(3) . . . . no
N8 Sn3 N7 Si3 -131.1(3) . . . . no
Si3 Sn3 N8 N9 -164.0(5) . . . . no
N7 Sn3 N8 N9 -140.0(5) . . . . no
Br4 Sn3 Si3 C20 -140.9(4) . . . . no
N7 Sn3 Si3 C20 -93.3(5) . . . . no
Br4 Sn3 Si3 C21 20.7(5) . . . . no
N7 Sn3 Br4 Li4 133.6(3) . . . . no
Si5 Sn4 N13 C59 -38.4(6) . . . . no
N14 Sn4 N13 C59 -64.1(6) . . . . no
N13 Sn4 N14 Si5 132.4(3) . . . . no
N14 Sn4 N13 N12 150.9(5) . . . . no
N15 Sn4 N13 N12 54.6(5) . . . . no
N15 Sn4 N14 Si6 48.8(4) . . . . no
N13 Sn4 N15 N16 -38.2(5) . . . . no
N15 Sn4 Si5 C34 22.1(6) . . . . no
N14 Sn4 Si5 C34 -31.0(7) . . . . no
Si5 Sn4 N15 C36 35.8(7) . . . . no
N13 Sn4 N15 C36 157.8(6) . . . . no
Si5 Sn4 N13 N12 176.5(4) . . . . no
N13 Sn4 Si5 N14 -55.3(4) . . . . no
N15 Sn4 Si5 N14 53.1(4) . . . . no
N13 Sn4 Si5 C32 59.4(3) . . . . no
N13 Sn4 N14 Si6 -44.7(4) . . . . no
N14 Sn4 Si5 C32 114.7(4) . . . . no
N15 Sn4 Si5 C32 167.8(3) . . . . no
N15 Sn4 N14 Si5 -134.1(3) . . . . no
Si5 Sn4 N14 Si6 -177.0(6) . . . . no
N13 Sn4 Si5 C33 164.1(3) . . . . no
Si5 Sn4 N15 N16 -160.2(4) . . . . no
N14 Sn4 Si5 C33 -140.6(4) . . . . no
N13 Sn4 Si5 C34 -86.2(6) . . . . no
N14 Sn4 N15 N16 -135.4(5) . . . . no
N15 Sn4 Si5 C33 -87.6(3) . . . . no
N15 Sn4 N13 C59 -160.4(6) . . . . no
N14 Sn4 N15 C36 60.6(6) . . . . no
N20 Sn5 Si7 C46 47.7(6) . . . . no
N21 Sn5 Si7 C45 100.5(3) . . . . no
N21 Sn5 N19 N18 -34.3(5) . . . . no
Si7 Sn5 N19 N18 -151.9(4) . . . . no
N20 Sn5 N21 N22 141.3(5) . . . . no
N21 Sn5 Si7 N20 -50.4(4) . . . . no
N20 Sn5 N19 C53 62.3(6) . . . . no
N19 Sn5 N20 Si7 -132.4(3) . . . . no
N20 Sn5 N19 N18 -128.0(5) . . . . no
N21 Sn5 N20 Si8 -46.7(4) . . . . no
N19 Sn5 Si7 C46 102.3(5) . . . . no
N19 Sn5 Si7 C45 -154.6(3) . . . . no
N20 Sn5 Si7 C45 150.8(4) . . . . no
Si7 Sn5 N19 C53 38.5(6) . . . . no
N19 Sn5 Si7 C44 -51.8(3) . . . . no
Si7 Sn5 N21 C48 -51.4(5) . . . . no
N19 Sn5 N21 C48 -171.1(5) . . . . no
N20 Sn5 N21 C48 -73.7(5) . . . . no
N19 Sn5 N20 Si8 45.9(4) . . . . no
N19 Sn5 Si7 N20 54.6(4) . . . . no
N20 Sn5 Si7 C44 -106.4(4) . . . . no
N21 Sn5 N20 Si7 135.0(3) . . . . no
N21 Sn5 Si7 C46 -2.7(5) . . . . no
N21 Sn5 N19 C53 156.1(5) . . . . no
Si7 Sn5 N20 Si8 178.3(6) . . . . no
N19 Sn5 N21 N22 43.9(5) . . . . no
N21 Sn5 Si7 C44 -156.8(3) . . . . no
Si7 Sn5 N21 N22 163.6(4) . . . . no
N28 Sn6 N26 C78 136.0(9) . . . . no
N27 Sn6 N28 C95 -68.8(7) . . . . no
N28 Sn6 Si9 C76 -74.6(11) . . . . no
N26 Sn6 Si9 C76 30.4(11) . . . . no
N27 Sn6 Si9 C76 -17.7(11) . . . . no
Si9 Sn6 N28 C95 -42.7(7) . . . . no
N28 Sn6 Si9 C75 170.0(4) . . . . no
Si9 Sn6 N26 C78 16.7(10) . . . . no
N27 Sn6 N26 C78 39.6(10) . . . . no
N26 Sn6 Si9 C75 -85.0(4) . . . . no
Si9 Sn6 N26 N25 -166.5(5) . . . . no
N27 Sn6 N26 N25 -143.5(6) . . . . no
N26 Sn6 N27 Si10 50.5(5) . . . . no
N28 Sn6 N26 N25 -47.1(6) . . . . no
N28 Sn6 N27 Si10 -40.2(5) . . . . no
N26 Sn6 N28 C95 -164.3(7) . . . . no
Si9 Sn6 N27 Si10 -170.7(8) . . . . no
N27 Sn6 N28 N29 120.3(6) . . . . no
Si9 Sn6 N28 N29 146.4(6) . . . . no
N28 Sn6 Si9 C74 64.1(4) . . . . no
N27 Sn6 Si9 C75 -133.2(5) . . . . no
N27 Sn6 Si9 C74 121.0(5) . . . . no
N28 Sn6 Si9 N27 -56.9(4) . . . . no
N28 Sn6 N27 Si9 130.5(3) . . . . no
N26 Sn6 N28 N29 24.7(6) . . . . no
N26 Sn6 N27 Si9 -138.8(4) . . . . no
N26 Sn6 Si9 C74 169.1(4) . . . . no
N26 Sn6 Si9 N27 48.1(4) . . . . no
N30 Sn7 Si11 N31 55.7(3) . . . . no
N32 Sn7 Si11 C68 45.8(4) . . . . no
Si11 Sn7 N30 N29 -151.3(5) . . . . no
N32 Sn7 Si11 N31 -47.1(4) . . . . no
Si11 Sn7 N32 C90 -34.4(7) . . . . no
N30 Sn7 N32 N33 49.9(5) . . . . no
N32 Sn7 N31 Si12 -46.8(4) . . . . no
N31 Sn7 Si11 C69 -67.7(6) . . . . no
N31 Sn7 N32 N33 142.2(5) . . . . no
N30 Sn7 Si11 C69 -12.0(5) . . . . no
N31 Sn7 Si11 C68 92.9(5) . . . . no
N30 Sn7 N32 C90 -148.6(6) . . . . no
N31 Sn7 N32 C90 -56.2(7) . . . . no
N32 Sn7 N31 Si11 139.7(3) . . . . no
N32 Sn7 N30 C96 165.3(6) . . . . no
N31 Sn7 N30 C96 68.7(6) . . . . no
N30 Sn7 Si11 C68 148.6(4) . . . . no
N30 Sn7 N31 Si12 44.2(4) . . . . no
Si11 Sn7 N30 C96 44.2(6) . . . . no
Si11 Sn7 N32 N33 164.0(4) . . . . no
N32 Sn7 Si11 C70 147.8(3) . . . . no
N32 Sn7 N30 N29 -30.1(6) . . . . no
Si11 Sn7 N31 Si12 173.6(6) . . . . no
N30 Sn7 N31 Si11 -129.4(3) . . . . no
N30 Sn7 Si11 C70 -109.4(3) . . . . no
N31 Sn7 N30 N29 -126.7(6) . . . . no
N31 Sn7 Si11 C70 -165.1(4) . . . . no
N32 Sn7 Si11 C69 -114.8(5) . . . . no
N41 Sn8 Si13 C6 91.0(19) . . . . no
N42 Sn8 N41 N40 -143.4(5) . . . . no
N42 Sn8 Si13 C6 38.6(19) . . . . no
N43 Sn8 Si13 C5 100.8(12) . . . . no
N42 Sn8 N41 C11 64.9(6) . . . . no
N43 Sn8 N41 N40 -51.2(5) . . . . no
N42 Sn8 Si13 C5 151.6(13) . . . . no
Si13 Sn8 N41 C11 41.1(6) . . . . no
Si13 Sn8 N41 N40 -167.1(4) . . . . no
N41 Sn8 Si13 C5 -156.0(12) . . . . no
N42 Sn8 Si13 C4 -100.5(10) . . . . no
N43 Sn8 Si13 C9 50.9(11) . . . . no
N43 Sn8 Si13 C6 -12.2(19) . . . . no
N42 Sn8 Si13 C7 -76.2(17) . . . . no
N41 Sn8 N42 Si14 42.7(4) . . . . no
N41 Sn8 N43 N1 36.1(6) . . . . no
Si13 Sn8 N43 C108 -27.7(8) . . . . no
N41 Sn8 N42 Si13 -134.9(3) . . . . no
N42 Sn8 Si13 C9 101.6(11) . . . . no
N41 Sn8 Si13 C4 -48.1(10) . . . . no
N41 Sn8 Si13 C7 -23.7(16) . . . . no
Si13 Sn8 N43 N1 156.4(6) . . . . no
N41 Sn8 Si13 C8 -113.8(10) . . . . no
N43 Sn8 N42 Si13 134.3(4) . . . . no
N41 Sn8 Si13 C9 154.0(10) . . . . no
N41 Sn8 N43 C108 -148.0(7) . . . . no
N43 Sn8 Si13 C4 -151.3(10) . . . . no
N43 Sn8 N41 C11 157.1(6) . . . . no
N42 Sn8 Si13 C8 -166.2(10) . . . . no
Si13 Sn8 N42 Si14 177.6(7) . . . . no
N42 Sn8 N43 C108 -50.7(7) . . . . no
N43 Sn8 Si13 C8 143.1(10) . . . . no
N43 Sn8 Si13 N42 -50.7(4) . . . . no
N43 Sn8 Si13 C7 -126.9(16) . . . . no
N42 Sn8 N43 N1 133.4(6) . . . . no
N41 Sn8 Si13 N42 52.4(4) . . . . no
N43 Sn8 N42 Si14 -48.1(4) . . . . no
Sn1 Br1 Li1 Br2 -141.9(6) . . . . no
Sn1 Br1 Li1 N23 89.3(5) . . . . no
Sn1 Br1 Li1 N36 -31.3(4) . . . . no
Li2 Br2 Li8 N35 127.8(7) . . . . no
Li5 Br2 Li1 N36 115.8(5) . . . . no
Li8 Br2 Li5 N17 -16.6(6) . . . . no
Li1 Br2 Li8 N34 126.8(7) . . . . no
Li2 Br2 Li1 N23 98.0(6) . . . . no
Li5 Br2 Li8 N34 44.0(7) . . . . no
Li8 Br2 Li1 Br1 117.9(7) . . . . no
Li5 Br2 Li2 N5 1.1(6) . . . . no
Li1 Br2 Li8 N35 -1.2(7) . . . . no
Li1 Br2 Li8 N38 -121.4(6) . . . . no
Li8 Br2 Li5 N18 -136.4(7) . . . . no
Li8 Br2 Li5 N22 104.4(5) . . . . no
Li5 Br2 Li1 N23 -7.3(5) . . . . no
Li2 Br2 Li1 N36 -138.9(5) . . . . no
Li2 Br2 Li8 N34 -104.1(9) . . . . no
Li5 Br2 Li8 N38 155.9(6) . . . . no
Li2 Br2 Li8 N38 7.7(11) . . . . no
Li2 Br2 Li5 N18 23.4(8) . . . . no
Li1 Br2 Li5 N22 18.6(5) . . . . no
Li1 Br2 Li5 N17 -102.5(5) . . . . no
Li1 Br2 Li5 N18 137.7(8) . . . . no
Li8 Br2 Li2 N5 149.3(7) . . . . no
Li5 Br2 Li2 N1 111.1(6) . . . . no
Li8 Br2 Li1 N23 -114.5(6) . . . . no
Li8 Br2 Li1 N36 8.6(6) . . . . no
Li2 Br2 Li5 N17 143.3(5) . . . . no
Li1 Br2 Li2 N1 20.4(7) . . . . no
Li5 Br2 Li1 Br1 -134.9(7) . . . . no
Li1 Br2 Li2 N40 140.4(7) . . . . no
Li2 Br2 Li5 N22 -95.7(5) . . . . no
Li2 Br2 Li1 Br1 -29.6(8) . . . . no
Li5 Br2 Li8 N35 -84.0(7) . . . . no
Li8 Br2 Li2 N1 -100.6(8) . . . . no
Li8 Br2 Li2 N40 19.3(13) . . . . no
Li5 Br2 Li2 N40 -129.0(8) . . . . no
Li1 Br2 Li2 N5 -89.6(6) . . . . no
Li4 Br3 Li7 N33 -79.8(7) . . . . no
Li4 Br3 Li7 N29 24.0(9) . . . . no
Li4 Br3 Li7 N25 136.3(8) . . . . no
Li3 Br3 Li6 N12 113.9(5) . . . . no
Li6 Br3 Li3 N39 146.5(5) . . . . no
Li3 Br3 Li6 N24 -6.0(7) . . . . no
Li6 Br3 Li3 N10 -93.1(5) . . . . no
Li6 Br3 Li4 N9 121.0(5) . . . . no
Li3 Br3 Li6 N16 -130.3(7) . . . . no
Li6 Br3 Li4 N11 -13.4(5) . . . . no
Li7 Br3 Li4 Br4 -22.4(9) . . . . no
Li3 Br3 Li7 N33 148.7(5) . . . . no
Li7 Br3 Li6 N24 127.6(6) . . . . no
Li7 Br3 Li4 N11 98.5(7) . . . . no
Li7 Br3 Li3 N10 139.2(5) . . . . no
Li6 Br3 Li7 N29 125.9(5) . . . . no
Li7 Br3 Li4 N9 -127.1(6) . . . . no
Li3 Br3 Li7 N25 4.7(11) . . . . no
Li6 Br3 Li7 N33 22.1(6) . . . . no
Li4 Br3 Li3 N39 -132.4(5) . . . . no
Li7 Br3 Li3 N6 -98.4(7) . . . . no
Li6 Br3 Li7 N25 -121.9(10) . . . . no
Li7 Br3 Li3 N39 18.8(7) . . . . no
Li3 Br3 Li4 N11 -121.5(5) . . . . no
Li6 Br3 Li4 Br4 -134.3(6) . . . . no
Li3 Br3 Li7 N29 -107.5(5) . . . . no
Li7 Br3 Li6 N16 3.3(8) . . . . no
Li4 Br3 Li6 N24 -91.9(6) . . . . no
Li6 Br3 Li3 N6 29.3(8) . . . . no
Li7 Br3 Li6 N12 -112.5(5) . . . . no
Li4 Br3 Li6 N16 143.8(7) . . . . no
Li4 Br3 Li3 N10 -12.0(5) . . . . no
Li3 Br3 Li4 N9 12.9(5) . . . . no
Li4 Br3 Li3 N6 110.5(7) . . . . no
Li4 Br3 Li6 N12 28.0(5) . . . . no
Li3 Br3 Li4 Br4 117.6(6) . . . . no
Sn3 Br4 Li4 Br3 -147.8(5) . . . . no
Sn3 Br4 Li4 N11 89.6(4) . . . . no
Sn3 Br4 Li4 N9 -39.6(4) . . . . no
C106 Si1 N3 Sn2 -97.3(5) . . . . no
Sn2 Si1 N3 Si2 179.4(8) . . . . no
C105 Si1 N3 Sn2 140.7(5) . . . . no
C105 Si1 N3 Si2 -39.9(7) . . . . no
C104 Si1 N3 Si2 -159.5(6) . . . . no
C104 Si1 N3 Sn2 21.0(7) . . . . no
C106 Si1 N3 Si2 82.2(6) . . . . no
C102 Si2 N3 Si1 74.3(6) . . . . no
C101 Si2 N3 Si1 -45.0(7) . . . . no
C103 Si2 N3 Sn2 13.7(7) . . . . no
C103 Si2 N3 Si1 -165.6(5) . . . . no
C102 Si2 N3 Sn2 -106.4(6) . . . . no
C101 Si2 N3 Sn2 134.4(5) . . . . no
C22 Si3 N7 Sn3 -14.3(5) . . . . no
Sn3 Si3 N7 Si4 172.7(6) . . . . no
C21 Si3 N7 Si4 39.4(6) . . . . no
C20 Si3 N7 Sn3 103.8(4) . . . . no
C21 Si3 N7 Sn3 -133.3(4) . . . . no
C20 Si3 N7 Si4 -83.5(5) . . . . no
C22 Si3 N7 Si4 158.4(4) . . . . no
C17 Si4 N7 Sn3 -145.9(4) . . . . no
C17 Si4 N7 Si3 42.4(5) . . . . no
C18 Si4 N7 Sn3 92.7(5) . . . . no
C19 Si4 N7 Si3 159.5(4) . . . . no
C18 Si4 N7 Si3 -79.0(5) . . . . no
C19 Si4 N7 Sn3 -28.7(5) . . . . no
C32 Si5 N14 Sn4 -74.3(4) . . . . no
Sn4 Si5 N14 Si6 177.2(6) . . . . no
C33 Si5 N14 Sn4 42.4(4) . . . . no
C34 Si5 N14 Si6 -19.3(6) . . . . no
C33 Si5 N14 Si6 -140.4(4) . . . . no
C32 Si5 N14 Si6 102.8(5) . . . . no
C34 Si5 N14 Sn4 163.5(4) . . . . no
C29 Si6 N14 Sn4 126.5(4) . . . . no
C30 Si6 N14 Sn4 -112.5(4) . . . . no
C31 Si6 N14 Sn4 8.6(6) . . . . no
C29 Si6 N14 Si5 -50.1(5) . . . . no
C31 Si6 N14 Si5 -168.0(4) . . . . no
C30 Si6 N14 Si5 70.9(5) . . . . no
C44 Si7 N20 Si8 -91.1(5) . . . . no
C45 Si7 N20 Si8 150.7(4) . . . . no
C45 Si7 N20 Sn5 -31.0(4) . . . . no
C46 Si7 N20 Si8 30.1(6) . . . . no
C44 Si7 N20 Sn5 87.2(4) . . . . no
C46 Si7 N20 Sn5 -151.6(4) . . . . no
Sn5 Si7 N20 Si8 -178.3(6) . . . . no
C42 Si8 N20 Sn5 118.1(5) . . . . no
C43 Si8 N20 Sn5 -1.4(5) . . . . no
C41 Si8 N20 Si7 56.4(5) . . . . no
C43 Si8 N20 Si7 176.7(4) . . . . no
C42 Si8 N20 Si7 -63.8(5) . . . . no
C41 Si8 N20 Sn5 -121.7(4) . . . . no
C75 Si9 N27 Si10 -137.8(6) . . . . no
C75 Si9 N27 Sn6 51.1(6) . . . . no
C74 Si9 N27 Si10 103.9(6) . . . . no
C74 Si9 N27 Sn6 -67.2(5) . . . . no
C76 Si9 N27 Sn6 171.5(6) . . . . no
C76 Si9 N27 Si10 -17.4(8) . . . . no
Sn6 Si9 N27 Si10 171.2(7) . . . . no
C72 Si10 N27 Sn6 107.4(5) . . . . no
C72 Si10 N27 Si9 -62.1(7) . . . . no
C71 Si10 N27 Si9 178.2(6) . . . . no
C73 Si10 N27 Sn6 -132.3(5) . . . . no
C71 Si10 N27 Sn6 -12.3(7) . . . . no
C73 Si10 N27 Si9 58.2(6) . . . . no
C70 Si11 N31 Sn7 15.5(5) . . . . no
C69 Si11 N31 Sn7 134.3(4) . . . . no
Sn7 Si11 N31 Si12 -173.9(6) . . . . no
C68 Si11 N31 Sn7 -103.8(4) . . . . no
C70 Si11 N31 Si12 -158.5(4) . . . . no
C68 Si11 N31 Si12 82.3(5) . . . . no
C69 Si11 N31 Si12 -39.6(5) . . . . no
C67 Si12 N31 Si11 -44.0(5) . . . . no
C65 Si12 N31 Sn7 -95.2(4) . . . . no
C65 Si12 N31 Si11 77.9(5) . . . . no
C67 Si12 N31 Sn7 143.0(4) . . . . no
C66 Si12 N31 Si11 -162.9(4) . . . . no
C66 Si12 N31 Sn7 24.1(5) . . . . no
C4 Si13 N42 Si14 -85.7(10) . . . . no
C5 Si13 N42 Si14 151.6(13) . . . . no
Sn8 Si13 N42 Si14 -177.8(6) . . . . no
C7 Si13 N42 Sn8 131.1(13) . . . . no
C4 Si13 C5 C8 -33(2) . . . . no
C6 Si13 C5 C8 -144(2) . . . . no
C9 Si13 C7 C4 141(2) . . . . no
C6 Si13 N42 Sn8 -157.1(12) . . . . no
C7 Si13 C5 C8 -71(3) . . . . no
C6 Si13 N42 Si14 25.1(13) . . . . no
N42 Si13 C5 C8 89(2) . . . . no
C8 Si13 C4 C7 -145(3) . . . . no
C9 Si13 C4 C7 -59(3) . . . . no
C8 Si13 N42 Si14 -164.3(10) . . . . no
C9 Si13 N42 Si14 88.4(12) . . . . no
Sn8 Si13 C7 C4 -42(3) . . . . no
C8 Si13 N42 Sn8 13.5(10) . . . . no
C7 Si13 N42 Si14 -46.7(13) . . . . no
C9 Si13 C8 C5 11(2) . . . . no
C6 Si13 C7 C4 174(3) . . . . no
C8 Si13 C7 C4 35(3) . . . . no
C5 Si13 C7 C4 76(3) . . . . no
C9 Si13 C5 C8 -167(3) . . . . no
C4 Si13 N42 Sn8 92.0(10) . . . . no
C9 Si13 N42 Sn8 -93.8(12) . . . . no
Sn8 Si13 C5 C8 70.8(18) . . . . no
C6 Si13 C8 C5 60(3) . . . . no
C5 Si13 C4 C7 -123(2) . . . . no
C5 Si13 N42 Sn8 -30.6(14) . . . . no
N42 Si13 C7 C4 -84(2) . . . . no
C6 Si13 C4 C7 -5(3) . . . . no
N42 Si13 C4 C7 113(2) . . . . no
C7 Si13 C8 C5 127(2) . . . . no
N42 Si13 C8 C5 -106(2) . . . . no
C4 Si13 C8 C5 147(2) . . . . no
Sn8 Si13 C8 C5 -98(2) . . . . no
Sn8 Si13 C4 C7 152(2) . . . . no
C1 Si14 N42 Sn8 125.5(6) . . . . no
C1 Si14 N42 Si13 -57.1(7) . . . . no
C2 Si14 N42 Si13 -175.5(6) . . . . no
C3 Si14 N42 Sn8 -114.0(6) . . . . no
C2 Si14 N42 Sn8 7.1(7) . . . . no
C3 Si14 N42 Si13 63.4(7) . . . . no
C123 Si15 N44 Si16 60.2(7) . . . . no
C124 Si15 N44 Sn1 5.8(6) . . . . no
C124 Si15 N44 Si16 176.0(5) . . . . no
C122 Si15 N44 Si16 -64.3(7) . . . . no
C123 Si15 N44 Sn1 -109.9(5) . . . . no
Sn1 Si15 N44 Si16 170.1(8) . . . . no
C122 Si15 N44 Sn1 125.6(5) . . . . no
C120 Si16 N44 Si15 154.5(6) . . . . no
C120 Si16 N44 Sn1 -36.7(8) . . . . no
C121 Si16 N44 Si15 28.9(9) . . . . no
C119 Si16 N44 Sn1 82.5(7) . . . . no
C119 Si16 N44 Si15 -86.3(7) . . . . no
C121 Si16 N44 Sn1 -162.3(7) . . . . no
Li2 N1 N2 C107 167.1(7) . . . . no
N2 N1 N43 Sn8 178.9(5) . . . . no
Li2 N1 N2 Sn2 5.2(9) . . . . no
N43 N1 N2 C107 -2.4(8) . . . . no
N43 N1 Li2 N5 -158.6(6) . . . . no
Li2 N1 N43 C108 -167.6(7) . . . . no
N43 N1 Li2 N40 -47.0(9) . . . . no
N2 N1 Li2 Br2 -80.9(8) . . . . no
N2 N1 Li2 N40 144.7(6) . . . . no
Li2 N1 N43 Sn8 9.0(10) . . . . no
N2 N1 N43 C108 2.3(8) . . . . no
N43 N1 Li2 Br2 87.5(7) . . . . no
N2 N1 Li2 N5 33.1(9) . . . . no
N43 N1 N2 Sn2 -164.3(5) . . . . no
Sn2 N2 C107 C108 162.8(5) . . . . no
N1 N2 C107 C108 1.6(8) . . . . no
N1 N2 C107 C112 -178.9(8) . . . . no
Sn2 N2 C107 C112 -17.6(12) . . . . no
Sn2 N4 C113 C118 16.7(10) . . . . no
N5 N4 C113 C114 -0.3(6) . . . . no
Sn2 N4 C113 C114 -163.2(4) . . . . no
C113 N4 N5 Li2 -179.2(7) . . . . no
C113 N4 N5 N6 0.8(7) . . . . no
Sn2 N4 N5 N6 166.6(4) . . . . no
N5 N4 C113 C118 179.6(7) . . . . no
Sn2 N4 N5 Li2 -13.4(9) . . . . no
Li2 N5 N6 C114 179.1(6) . . . . no
N6 N5 Li2 N40 44.4(8) . . . . no
N4 N5 N6 Li3 176.0(6) . . . . no
N4 N5 Li2 Br2 84.9(8) . . . . no
N6 N5 Li2 Br2 -95.1(6) . . . . no
N4 N5 N6 C114 -0.9(7) . . . . no
Li2 N5 N6 Li3 -4.0(9) . . . . no
N4 N5 Li2 N1 -28.9(10) . . . . no
N6 N5 Li2 N1 151.2(5) . . . . no
N4 N5 Li2 N40 -135.6(6) . . . . no
N5 N6 Li3 N39 -35.7(8) . . . . no
C114 N6 Li3 Br3 -104.3(8) . . . . no
N5 N6 Li3 N10 -162.9(6) . . . . no
N5 N6 Li3 Br3 79.7(8) . . . . no
N5 N6 C114 C113 0.7(6) . . . . no
N5 N6 C114 C115 -177.8(7) . . . . no
Li3 N6 C114 C113 -175.6(7) . . . . no
Li3 N6 C114 C115 5.9(11) . . . . no
C114 N6 Li3 N10 13.1(11) . . . . no
C114 N6 Li3 N39 140.3(6) . . . . no
C24 N8 N9 N10 -0.2(8) . . . . no
C24 N8 N9 Li4 -169.0(7) . . . . no
Sn3 N8 C24 C23 -178.8(5) . . . . no
N9 N8 C24 C23 0.3(8) . . . . no
N9 N8 C24 C25 177.9(9) . . . . no
Sn3 N8 C24 C25 -1.2(14) . . . . no
Sn3 N8 N9 Li4 10.3(9) . . . . no
Sn3 N8 N9 N10 179.1(4) . . . . no
N8 N9 Li4 Br3 154.8(6) . . . . no
N8 N9 N10 C23 0.0(8) . . . . no
N8 N9 N10 Li3 -166.0(6) . . . . no
N8 N9 Li4 N11 -83.3(9) . . . . no
N10 N9 Li4 Br3 -12.8(8) . . . . no
N10 N9 Li4 N11 109.1(8) . . . . no
N8 N9 Li4 Br4 26.9(8) . . . . no
Li4 N9 N10 Li3 3.2(9) . . . . no
Li4 N9 N10 C23 169.1(6) . . . . no
N10 N9 Li4 Br4 -140.7(5) . . . . no
C23 N10 Li3 N6 80.4(10) . . . . no
N9 N10 Li3 Br3 8.3(8) . . . . no
N9 N10 C23 C28 -176.7(9) . . . . no
N9 N10 Li3 N39 120.3(7) . . . . no
Li3 N10 C23 C28 -12.1(14) . . . . no
C23 N10 Li3 N39 -42.1(11) . . . . no
N9 N10 Li3 N6 -117.3(7) . . . . no
C23 N10 Li3 Br3 -154.1(6) . . . . no
N9 N10 C23 C24 0.2(8) . . . . no
Li3 N10 C23 C24 164.7(7) . . . . no
C60 N11 Li4 N9 79.7(11) . . . . no
Li4 N11 C60 C61 -34.8(14) . . . . no
Li4 N11 C60 C59 147.7(7) . . . . no
N12 N11 C60 C61 177.7(8) . . . . no
Li4 N11 N12 Li6 44.3(8) . . . . no
C60 N11 N12 N13 -0.6(8) . . . . no
N12 N11 Li4 N9 -133.2(7) . . . . no
C60 N11 N12 Li6 -158.9(6) . . . . no
C60 N11 Li4 Br4 -26.5(10) . . . . no
N12 N11 C60 C59 0.1(8) . . . . no
N12 N11 Li4 Br4 120.6(5) . . . . no
N12 N11 Li4 Br3 -13.7(7) . . . . no
Li4 N11 N12 N13 -157.5(5) . . . . no
C60 N11 Li4 Br3 -160.8(7) . . . . no
N13 N12 Li6 N24 -85.6(7) . . . . no
N11 N12 Li6 Br3 -54.1(7) . . . . no
Li6 N12 N13 Sn4 -51.9(8) . . . . no
N11 N12 Li6 N16 174.7(6) . . . . no
N11 N12 Li6 N24 69.2(8) . . . . no
Li6 N12 N13 C59 157.4(7) . . . . no
N11 N12 N13 Sn4 151.6(4) . . . . no
N11 N12 N13 C59 0.9(8) . . . . no
N13 N12 Li6 Br3 151.2(5) . . . . no
N13 N12 Li6 N16 19.9(9) . . . . no
N12 N13 C59 C60 -0.8(8) . . . . no
N12 N13 C59 C64 -179.5(8) . . . . no
Sn4 N13 C59 C64 32.2(12) . . . . no
Sn4 N13 C59 C60 -149.1(5) . . . . no
Sn4 N15 C36 C35 164.4(5) . . . . no
C36 N15 N16 N17 0.1(8) . . . . no
Sn4 N15 N16 N17 -166.8(4) . . . . no
N16 N15 C36 C35 -1.3(8) . . . . no
C36 N15 N16 Li6 -171.6(7) . . . . no
Sn4 N15 N16 Li6 21.5(10) . . . . no
Sn4 N15 C36 C37 -14.8(12) . . . . no
N16 N15 C36 C37 179.5(8) . . . . no
N17 N16 Li6 N24 -59.6(7) . . . . no
N15 N16 N17 Li5 -158.2(6) . . . . no
N15 N16 Li6 N12 -2.8(10) . . . . no
Li6 N16 N17 C35 174.3(6) . . . . no
N15 N16 Li6 N24 111.6(7) . . . . no
N15 N16 N17 C35 1.2(8) . . . . no
N17 N16 Li6 N12 -174.0(6) . . . . no
N17 N16 Li6 Br3 71.5(8) . . . . no
N15 N16 Li6 Br3 -117.3(8) . . . . no
Li6 N16 N17 Li5 14.9(9) . . . . no
N16 N17 C35 C40 179.6(7) . . . . no
Li5 N17 C35 C40 -23.5(13) . . . . no
N16 N17 Li5 N22 147.2(6) . . . . no
C35 N17 Li5 Br2 105.1(7) . . . . no
N16 N17 Li5 Br2 -100.3(6) . . . . no
C35 N17 Li5 N18 -115.7(7) . . . . no
N16 N17 C35 C36 -2.0(8) . . . . no
C35 N17 Li5 N22 -7.4(11) . . . . no
Li5 N17 C35 C36 155.0(7) . . . . no
N16 N17 Li5 N18 38.9(8) . . . . no
N19 N18 Li5 N22 -6.7(8) . . . . no
N19 N18 Li5 N17 112.1(7) . . . . no
Li5 N18 N24 C54 167.2(5) . . . . no
N24 N18 Li5 N22 -169.9(5) . . . . no
N19 N18 N24 C54 1.0(7) . . . . no
N24 N18 Li5 N17 -51.2(7) . . . . no
N19 N18 N24 Li6 -160.0(5) . . . . no
N19 N18 Li5 Br2 -126.2(7) . . . . no
Li5 N18 N19 Sn5 23.5(9) . . . . no
N24 N18 N19 Sn5 -172.2(4) . . . . no
Li5 N18 N19 C53 -165.6(6) . . . . no
N24 N18 Li5 Br2 70.5(9) . . . . no
Li5 N18 N24 Li6 6.1(8) . . . . no
N24 N18 N19 C53 -1.3(7) . . . . no
N18 N19 C53 C58 -179.4(8) . . . . no
Sn5 N19 C53 C54 172.5(4) . . . . no
N18 N19 C53 C54 1.0(7) . . . . no
Sn5 N19 C53 C58 -7.9(12) . . . . no
N22 N21 C48 C49 178.9(7) . . . . no
Sn5 N21 C48 C47 -150.7(5) . . . . no
Sn5 N21 N22 N23 149.5(4) . . . . no
Sn5 N21 C48 C49 28.7(9) . . . . no
C48 N21 N22 Li5 167.4(6) . . . . no
Sn5 N21 N22 Li5 -43.7(8) . . . . no
C48 N21 N22 N23 0.5(7) . . . . no
N22 N21 C48 C47 -0.5(7) . . . . no
N23 N22 Li5 N18 -176.3(5) . . . . no
N21 N22 N23 Li1 -157.9(6) . . . . no
N21 N22 Li5 Br2 156.6(5) . . . . no
Li5 N22 N23 C47 -168.4(6) . . . . no
N23 N22 Li5 Br2 -37.6(7) . . . . no
N21 N22 Li5 N18 18.0(8) . . . . no
N23 N22 Li5 N17 76.2(8) . . . . no
N21 N22 N23 C47 -0.4(7) . . . . no
Li5 N22 N23 Li1 34.1(8) . . . . no
N21 N22 Li5 N17 -89.6(8) . . . . no
C47 N23 Li1 Br2 -164.1(6) . . . . no
N22 N23 Li1 Br2 -13.7(8) . . . . no
C47 N23 Li1 N36 83.3(10) . . . . no
N22 N23 Li1 N36 -126.3(6) . . . . no
Li1 N23 C47 C48 152.1(7) . . . . no
N22 N23 C47 C48 0.1(8) . . . . no
N22 N23 Li1 Br1 127.0(5) . . . . no
C47 N23 Li1 Br1 -23.4(10) . . . . no
Li1 N23 C47 C52 -26.7(14) . . . . no
N22 N23 C47 C52 -178.7(8) . . . . no
N18 N24 C54 C53 -0.3(7) . . . . no
C54 N24 Li6 Br3 113.6(7) . . . . no
N18 N24 Li6 Br3 -90.6(7) . . . . no
N18 N24 C54 C55 179.6(7) . . . . no
C54 N24 Li6 N16 -109.1(7) . . . . no
N18 N24 Li6 N16 46.6(7) . . . . no
C54 N24 Li6 N12 -0.6(9) . . . . no
Li6 N24 C54 C53 157.4(6) . . . . no
Li6 N24 C54 C55 -22.7(11) . . . . no
N18 N24 Li6 N12 155.2(5) . . . . no
N38 N25 Li7 Br3 115.2(10) . . . . no
N38 N25 N26 Sn6 -177.9(5) . . . . no
N38 N25 Li7 N33 -27.5(9) . . . . no
N26 N25 Li7 N33 132.5(8) . . . . no
Li7 N25 N26 C78 -160.9(9) . . . . no
Li7 N25 N38 C77 163.4(8) . . . . no
N26 N25 N38 Li8 174.7(7) . . . . no
N26 N25 Li7 Br3 -84.8(12) . . . . no
N38 N25 Li7 N29 -132.1(6) . . . . no
N26 N25 N38 C77 -0.1(10) . . . . no
Li7 N25 N38 Li8 -21.7(9) . . . . no
N26 N25 Li7 N29 27.9(10) . . . . no
N38 N25 N26 C78 -0.3(10) . . . . no
Li7 N25 N26 Sn6 21.5(11) . . . . no
Sn6 N26 C78 C77 177.8(7) . . . . no
N25 N26 C78 C77 0.5(11) . . . . no
N25 N26 C78 C79 -179.5(12) . . . . no
Sn6 N26 C78 C79 -2.2(19) . . . . no
N29 N28 C95 C96 -0.7(9) . . . . no
Sn6 N28 N29 N30 173.8(5) . . . . no
Sn6 N28 N29 Li7 22.1(10) . . . . no
Sn6 N28 C95 C100 4.3(14) . . . . no
C95 N28 N29 N30 1.5(8) . . . . no
N29 N28 C95 C100 176.6(9) . . . . no
Sn6 N28 C95 C96 -173.0(5) . . . . no
C95 N28 N29 Li7 -150.2(8) . . . . no
Li7 N29 N30 Sn7 -15.4(9) . . . . no
N30 N29 Li7 Br3 -55.3(7) . . . . no
N28 N29 N30 C96 -1.7(8) . . . . no
N30 N29 Li7 N33 49.2(9) . . . . no
N28 N29 Li7 N25 -51.3(9) . . . . no
N28 N29 N30 Sn7 -168.1(5) . . . . no
N28 N29 Li7 N33 -161.7(7) . . . . no
Li7 N29 N30 C96 151.0(7) . . . . no
N28 N29 Li7 Br3 93.8(8) . . . . no
N30 N29 Li7 N25 159.6(6) . . . . no
Sn7 N30 C96 C97 -12.6(12) . . . . no
N29 N30 C96 C97 -179.5(9) . . . . no
N29 N30 C96 C95 1.2(9) . . . . no
Sn7 N30 C96 C95 168.2(5) . . . . no
C90 N32 N33 N34 -1.9(8) . . . . no
Sn7 N32 C90 C89 -161.5(5) . . . . no
N33 N32 C90 C89 1.9(8) . . . . no
Sn7 N32 N33 Li7 -22.3(9) . . . . no
N33 N32 C90 C91 -178.2(9) . . . . no
Sn7 N32 C90 C91 18.4(13) . . . . no
Sn7 N32 N33 N34 163.6(4) . . . . no
C90 N32 N33 Li7 172.3(7) . . . . no
N32 N33 Li7 N29 -29.2(11) . . . . no
N34 N33 Li7 N29 144.3(6) . . . . no
N32 N33 Li7 Br3 71.8(8) . . . . no
Li7 N33 N34 C89 -173.5(7) . . . . no
N34 N33 Li7 Br3 -114.7(6) . . . . no
N32 N33 N34 C89 1.0(8) . . . . no
N32 N33 N34 Li8 173.9(7) . . . . no
N34 N33 Li7 N25 43.0(9) . . . . no
N32 N33 Li7 N25 -130.5(7) . . . . no
Li7 N33 N34 Li8 -0.6(10) . . . . no
N33 N34 Li8 Br2 62.5(8) . . . . no
Li8 N34 C89 C90 -169.9(9) . . . . no
C89 N34 Li8 Br2 -127.7(9) . . . . no
N33 N34 Li8 N35 -177.6(7) . . . . no
N33 N34 C89 C90 0.2(9) . . . . no
Li8 N34 C89 C94 10.5(16) . . . . no
C89 N34 Li8 N35 -7.9(16) . . . . no
N33 N34 C89 C94 -179.4(9) . . . . no
C89 N34 Li8 N38 122.1(9) . . . . no
N33 N34 Li8 N38 -47.7(9) . . . . no
C84 N35 Li8 N34 58.0(14) . . . . no
N36 N35 C84 C83 1.2(10) . . . . no
C84 N35 Li8 Br2 -175.8(8) . . . . no
Li8 N35 C84 C83 166.5(9) . . . . no
N36 N35 C84 C85 179.2(10) . . . . no
C84 N35 N36 N37 0.3(9) . . . . no
N36 N35 Li8 N38 97.4(10) . . . . no
Li8 N35 N36 N37 -166.9(8) . . . . no
C84 N35 Li8 N38 -66.3(13) . . . . no
N36 N35 Li8 Br2 -12.0(10) . . . . no
N36 N35 Li8 N34 -138.3(8) . . . . no
Li8 N35 N36 Li1 24.1(11) . . . . no
C84 N35 N36 Li1 -168.7(7) . . . . no
Li8 N35 C84 C85 -15.5(17) . . . . no
N35 N36 Li1 Br2 -21.9(9) . . . . no
N35 N36 Li1 N23 94.7(8) . . . . no
N37 N36 Li1 Br1 37.6(8) . . . . no
Li1 N36 N37 C83 167.7(7) . . . . no
N35 N36 Li1 Br1 -154.5(6) . . . . no
N37 N36 Li1 Br2 170.2(5) . . . . no
N35 N36 N37 Sn1 169.7(5) . . . . no
N35 N36 N37 C83 -1.7(9) . . . . no
Li1 N36 N37 Sn1 -21.0(9) . . . . no
N37 N36 Li1 N23 -73.2(9) . . . . no
Sn1 N37 C83 C84 -168.5(6) . . . . no
Sn1 N37 C83 C88 11.1(15) . . . . no
N36 N37 C83 C88 -178.0(10) . . . . no
N36 N37 C83 C84 2.4(9) . . . . no
N25 N38 C77 C82 -176.1(12) . . . . no
N25 N38 Li8 N34 63.5(9) . . . . no
N25 N38 Li8 Br2 -55.9(8) . . . . no
N25 N38 C77 C78 0.5(11) . . . . no
C77 N38 Li8 N34 -123.7(11) . . . . no
N25 N38 Li8 N35 -165.7(7) . . . . no
Li8 N38 C77 C82 11(2) . . . . no
Li8 N38 C77 C78 -172.8(10) . . . . no
C77 N38 Li8 Br2 116.9(11) . . . . no
C77 N38 Li8 N35 7.1(16) . . . . no
N40 N39 Li3 Br3 -87.5(6) . . . . no
C10 N39 Li3 Br3 94.1(8) . . . . no
Li3 N39 N40 Li2 3.4(9) . . . . no
C10 N39 N40 Li2 -177.8(6) . . . . no
N40 N39 Li3 N6 36.3(8) . . . . no
N40 N39 C10 C15 177.6(8) . . . . no
Li3 N39 N40 N41 -177.7(6) . . . . no
Li3 N39 C10 C15 -3.9(14) . . . . no
C10 N39 N40 N41 1.2(7) . . . . no
C10 N39 Li3 N6 -142.2(7) . . . . no
Li3 N39 C10 C11 176.8(7) . . . . no
N40 N39 C10 C11 -1.8(8) . . . . no
C10 N39 Li3 N10 -17.1(12) . . . . no
N40 N39 Li3 N10 161.3(6) . . . . no
N39 N40 N41 C11 0.0(7) . . . . no
N41 N40 Li2 N1 29.9(9) . . . . no
Li2 N40 N41 C11 178.8(7) . . . . no
N39 N40 Li2 N5 -44.0(8) . . . . no
N39 N40 N41 Sn8 -157.8(4) . . . . no
N39 N40 Li2 Br2 86.1(9) . . . . no
Li2 N40 N41 Sn8 21.0(8) . . . . no
N41 N40 Li2 N5 137.2(6) . . . . no
N41 N40 Li2 Br2 -92.7(9) . . . . no
N39 N40 Li2 N1 -151.3(6) . . . . no
Sn8 N41 C11 C12 -25.1(12) . . . . no
N40 N41 C11 C12 -179.1(8) . . . . no
Sn8 N41 C11 C10 153.0(5) . . . . no
N40 N41 C11 C10 -1.1(8) . . . . no
N1 N43 C108 C107 -1.2(9) . . . . no
Sn8 N43 C108 C107 -177.6(6) . . . . no
N1 N43 C108 C109 178.1(10) . . . . no
Sn8 N43 C108 C109 1.7(14) . . . . no
N39 C10 C15 C14 -178.6(8) . . . . no
C15 C10 C11 C12 0.7(12) . . . . no
N39 C10 C11 C12 -179.9(7) . . . . no
C11 C10 C15 C14 0.7(12) . . . . no
C15 C10 C11 N41 -177.6(7) . . . . no
N39 C10 C11 N41 1.8(9) . . . . no
N41 C11 C12 C13 176.5(8) . . . . no
C10 C11 C12 C13 -1.3(12) . . . . no
C11 C12 C13 C14 0.4(12) . . . . no
C12 C13 C14 C15 1.0(14) . . . . no
C13 C14 C15 C10 -1.6(13) . . . . no
N10 C23 C28 C27 176.7(9) . . . . no
C28 C23 C24 N8 177.0(8) . . . . no
C24 C23 C28 C27 0.1(14) . . . . no
C28 C23 C24 C25 -0.9(13) . . . . no
N10 C23 C24 N8 -0.3(9) . . . . no
N10 C23 C24 C25 -178.2(8) . . . . no
N8 C24 C25 C26 -176.7(9) . . . . no
C23 C24 C25 C26 0.6(13) . . . . no
C24 C25 C26 C27 0.4(15) . . . . no
C25 C26 C27 C28 -1.2(17) . . . . no
C26 C27 C28 C23 0.9(16) . . . . no
N17 C35 C40 C39 178.3(8) . . . . no
C36 C35 C40 C39 0.0(11) . . . . no
C40 C35 C36 C37 0.0(11) . . . . no
N17 C35 C36 C37 -178.7(7) . . . . no
C40 C35 C36 N15 -179.4(6) . . . . no
N17 C35 C36 N15 2.0(8) . . . . no
C35 C36 C37 C38 0.5(11) . . . . no
N15 C36 C37 C38 179.6(8) . . . . no
C36 C37 C38 C39 -0.9(12) . . . . no
C37 C38 C39 C40 0.9(13) . . . . no
C38 C39 C40 C35 -0.5(12) . . . . no
C52 C47 C48 N21 179.2(7) . . . . no
N23 C47 C52 C51 177.8(8) . . . . no
N23 C47 C48 C49 -179.2(6) . . . . no
C48 C47 C52 C51 -0.9(11) . . . . no
N23 C47 C48 N21 0.3(8) . . . . no
C52 C47 C48 C49 -0.2(11) . . . . no
N21 C48 C49 C50 -178.0(7) . . . . no
C47 C48 C49 C50 1.3(11) . . . . no
C48 C49 C50 C51 -1.2(12) . . . . no
C49 C50 C51 C52 0.1(12) . . . . no
C50 C51 C52 C47 1.0(12) . . . . no
N19 C53 C54 N24 -0.4(7) . . . . no
C58 C53 C54 N24 179.9(7) . . . . no
N19 C53 C58 C57 179.9(8) . . . . no
C58 C53 C54 C55 0.0(11) . . . . no
N19 C53 C54 C55 179.7(6) . . . . no
C54 C53 C58 C57 -0.6(12) . . . . no
C53 C54 C55 C56 0.0(10) . . . . no
N24 C54 C55 C56 -179.9(7) . . . . no
C54 C55 C56 C57 0.5(12) . . . . no
C55 C56 C57 C58 -1.0(13) . . . . no
C56 C57 C58 C53 1.0(12) . . . . no
C64 C59 C60 C61 1.4(12) . . . . no
N13 C59 C60 N11 0.4(8) . . . . no
C64 C59 C60 N11 179.3(7) . . . . no
C60 C59 C64 C63 -0.7(12) . . . . no
N13 C59 C60 C61 -177.5(7) . . . . no
N13 C59 C64 C63 177.8(8) . . . . no
N11 C60 C61 C62 -178.3(8) . . . . no
C59 C60 C61 C62 -0.9(12) . . . . no
C60 C61 C62 C63 -0.2(13) . . . . no
C61 C62 C63 C64 0.9(14) . . . . no
C62 C63 C64 C59 -0.4(13) . . . . no
N38 C77 C78 C79 179.4(11) . . . . no
N38 C77 C82 C81 178.8(12) . . . . no
C82 C77 C78 N26 176.3(11) . . . . no
N38 C77 C78 N26 -0.6(13) . . . . no
C78 C77 C82 C81 2.7(19) . . . . no
C82 C77 C78 C79 -3.8(19) . . . . no
C77 C78 C79 C80 2.3(19) . . . . no
N26 C78 C79 C80 -177.7(12) . . . . no
C78 C79 C80 C81 0(2) . . . . no
C79 C80 C81 C82 -1(2) . . . . no
C80 C81 C82 C77 0(2) . . . . no
C84 C83 C88 C87 -0.5(15) . . . . no
N37 C83 C84 C85 179.6(9) . . . . no
N37 C83 C88 C87 180.0(10) . . . . no
C88 C83 C84 C85 -0.1(15) . . . . no
N37 C83 C84 N35 -2.2(10) . . . . no
C88 C83 C84 N35 178.1(9) . . . . no
N35 C84 C85 C86 -177.7(10) . . . . no
C83 C84 C85 C86 0.0(16) . . . . no
C84 C85 C86 C87 0.7(17) . . . . no
C85 C86 C87 C88 -1.3(19) . . . . no
C86 C87 C88 C83 1.1(17) . . . . no
C90 C89 C94 C93 1.2(13) . . . . no
N34 C89 C90 C91 178.8(8) . . . . no
C94 C89 C90 N32 178.4(8) . . . . no
N34 C89 C94 C93 -179.2(9) . . . . no
N34 C89 C90 N32 -1.4(9) . . . . no
C94 C89 C90 C91 -1.5(13) . . . . no
N32 C90 C91 C92 -179.9(9) . . . . no
C89 C90 C91 C92 -0.1(13) . . . . no
C90 C91 C92 C93 2.0(14) . . . . no
C91 C92 C93 C94 -2.4(16) . . . . no
C92 C93 C94 C89 0.7(14) . . . . no
N28 C95 C96 N30 -0.3(9) . . . . no
C100 C95 C96 C97 2.7(13) . . . . no
N28 C95 C96 C97 -179.7(7) . . . . no
C100 C95 C96 N30 -177.9(8) . . . . no
C96 C95 C100 C99 -0.1(13) . . . . no
N28 C95 C100 C99 -177.0(9) . . . . no
N30 C96 C97 C98 177.2(8) . . . . no
C95 C96 C97 C98 -3.6(12) . . . . no
C96 C97 C98 C99 2.1(13) . . . . no
C97 C98 C99 C100 0.5(15) . . . . no
C98 C99 C100 C95 -1.5(14) . . . . no
C108 C107 C112 C111 -2.1(12) . . . . no
C112 C107 C108 N43 -179.8(7) . . . . no
C112 C107 C108 C109 0.8(13) . . . . no
N2 C107 C112 C111 178.4(8) . . . . no
N2 C107 C108 N43 -0.2(9) . . . . no
N2 C107 C108 C109 -179.7(8) . . . . no
N43 C108 C109 C110 -178.4(10) . . . . no
C107 C108 C109 C110 0.9(14) . . . . no
C108 C109 C110 C111 -1.1(15) . . . . no
C109 C110 C111 C112 -0.4(15) . . . . no
C110 C111 C112 C107 1.9(12) . . . . no
C114 C113 C118 C117 1.3(10) . . . . no
C118 C113 C114 N6 179.9(6) . . . . no
C118 C113 C114 C115 -1.5(9) . . . . no
N4 C113 C118 C117 -178.6(7) . . . . no
N4 C113 C114 C115 178.4(6) . . . . no
N4 C113 C114 N6 -0.2(6) . . . . no
N6 C114 C115 C116 178.8(7) . . . . no
C113 C114 C115 C116 0.5(10) . . . . no
C114 C115 C116 C117 0.6(11) . . . . no
C115 C116 C117 C118 -0.8(13) . . . . no
C116 C117 C118 C113 -0.2(12) . . . . no
C130 C125 C126 C127 0.0(17) . . . . no
C130 C125 C126 C131 -178.5(11) . . . . no
C126 C125 C130 C129 -0.6(16) . . . . no
C125 C126 C127 C128 1.3(16) . . . . no
C131 C126 C127 C128 179.9(10) . . . . no
C126 C127 C128 C129 -2.1(16) . . . . no
C127 C128 C129 C130 1.5(16) . . . . no
C128 C129 C130 C125 -0.2(16) . . . . no
C137 C132 C133 C134 1.7(16) . . . . no
C137 C132 C133 C138 179.2(10) . . . . no
C133 C132 C137 C136 -2.5(18) . . . . no
C132 C133 C134 C135 -1.0(17) . . . . no
C138 C133 C134 C135 -178.5(11) . . . . no
C133 C134 C135 C136 1.0(19) . . . . no
C134 C135 C136 C137 -1.7(19) . . . . no
C135 C136 C137 C132 2.4(18) . . . . no
C144 C139 C140 C141 -6(2) . . . . no
C144 C139 C140 C145 179.3(14) . . . . no
C140 C139 C144 C143 0(2) . . . . no
C139 C140 C141 C142 4(3) . . . . no
C145 C140 C141 C142 178.9(19) . . . . no
C140 C141 C142 C143 4(4) . . . . no
C141 C142 C143 C144 -9(3) . . . . no
C142 C143 C144 C139 8(3) . . . . no
