#------------------------------------------------------------------------------
#$Date: 2017-04-04 05:15:46 +0200 (mar 04 de abr de 2017) $
#$Revision: 194721 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/26/7042633.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_7042633
loop_
_publ_author_name
'Geitner, Felix'
'Klein, Wilhelm'
'Fässler, Thomas F'
_publ_section_title
;
 On the Formation of the Intermetalloid Cluster [AgSn18]7-- - The
 Reactivity of Coinage Metal NHC Compounds towards [Sn9]4--
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT00754J
_journal_year                    2017
_chemical_formula_moiety
'C27 H36 Ag N2 Sn9, 3(C18 H36 K N2 O6), 24(H3 N)'
_chemical_formula_sum            'C81 H216 Ag K3 N32 O18 Sn9'
_chemical_formula_weight         3220.23
_chemical_properties_physical    ', Air-sensitive,Moisture-sensitive'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-01-28 deposited with the CCDC.
2017-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.003(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   57.9254(15)
_cell_length_b                   16.7406(3)
_cell_length_c                   31.1204(8)
_cell_measurement_reflns_used    37763
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.8577
_cell_measurement_theta_min      2.8561
_cell_volume                     27349.6(13)
_computing_cell_refinement
; 
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_data_collection
; 
 CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_data_reduction
; 
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16.0238
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Xcalibur 3'
_diffrn_measurement_method       'ω and π scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0830
_diffrn_reflns_av_unetI/netI     0.1113
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       71
_diffrn_reflns_limit_h_min       -67
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            147792
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.241
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.919
_exptl_absorpt_coefficient_mu    1.907
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 

 Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_description       block
_exptl_crystal_F_000             12992
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: ammonia'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.451
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.821
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1290
_refine_ls_number_reflns         26868
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.826
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0322P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0698
_refine_ls_wR_factor_ref         0.0759
_reflns_number_gt                15206
_reflns_number_total             26868
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00754j2.cif
_cod_data_source_block           FSG-51
_cod_database_code               7042633
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Sn1 Sn 0.42387(2) 0.39897(2) 0.37056(2) 0.03165(10) Uani 1 1 d . . .
Sn2 Sn 0.37493(2) 0.38818(2) 0.37779(2) 0.02766(10) Uani 1 1 d . . .
Sn3 Sn 0.40154(2) 0.23716(2) 0.35691(2) 0.03068(10) Uani 1 1 d . . .
Sn4 Sn 0.40919(2) 0.33162(2) 0.27476(2) 0.03062(10) Uani 1 1 d . . .
Sn5 Sn 0.38330(2) 0.48629(2) 0.29448(2) 0.02822(10) Uani 1 1 d . . .
Sn6 Sn 0.33370(2) 0.42059(2) 0.28478(2) 0.02512(9) Uani 1 1 d . . .
Sn7 Sn 0.34560(2) 0.24844(2) 0.32492(2) 0.02397(9) Uani 1 1 d . . .
Sn8 Sn 0.36898(2) 0.20966(2) 0.25478(2) 0.02902(10) Uani 1 1 d . . .
Sn9 Sn 0.35640(2) 0.38180(2) 0.21297(2) 0.02872(10) Uani 1 1 d . . .
Ag Ag 0.31987(2) 0.28262(2) 0.22542(2) 0.02596(10) Uani 1 1 d . . .
N1 N 0.26474(7) 0.2003(2) 0.18234(14) 0.0186(10) Uani 1 1 d . . .
C1 C 0.28218(9) 0.2450(3) 0.17436(17) 0.0188(12) Uani 1 1 d . . .
N2 N 0.27045(8) 0.2582(2) 0.12670(15) 0.0220(10) Uani 1 1 d . . .
C2 C 0.24654(9) 0.2220(3) 0.10626(19) 0.0256(13) Uani 1 1 d . . .
H2 H 0.2349 0.2229 0.0737 0.031 Uiso 1 1 calc R U .
C3 C 0.24327(10) 0.1857(3) 0.14169(18) 0.0246(13) Uani 1 1 d . . .
H3 H 0.2288 0.1555 0.1391 0.029 Uiso 1 1 calc R U .
C4 C 0.26795(10) 0.1716(3) 0.22888(18) 0.0219(12) Uani 1 1 d . . .
C5 C 0.28271(10) 0.1042(3) 0.24758(19) 0.0273(13) Uani 1 1 d . . .
C6 C 0.28385(10) 0.0748(3) 0.2899(2) 0.0307(14) Uani 1 1 d . . .
H6 H 0.2934 0.0279 0.3033 0.037 Uiso 1 1 calc R U .
C7 C 0.27121(11) 0.1133(4) 0.3127(2) 0.0354(15) Uani 1 1 d . . .
H7 H 0.2722 0.0927 0.3419 0.042 Uiso 1 1 calc R U .
C8 C 0.25724(11) 0.1804(3) 0.29408(19) 0.0322(14) Uani 1 1 d . . .
H8 H 0.2487 0.2055 0.3107 0.039 Uiso 1 1 calc R U .
C9 C 0.25500(10) 0.2135(3) 0.25145(19) 0.0261(13) Uani 1 1 d . . .
C10 C 0.29666(10) 0.0623(3) 0.2213(2) 0.0299(14) Uani 1 1 d . . .
H10 H 0.3021 0.1047 0.2049 0.036 Uiso 1 1 calc R U .
C11 C 0.32036(11) 0.0192(4) 0.2543(2) 0.0439(17) Uani 1 1 d . . .
H11A H 0.3158 -0.0228 0.2712 0.066 Uiso 1 1 calc R U .
H11B H 0.3320 0.0571 0.2772 0.066 Uiso 1 1 calc R U .
H11C H 0.3288 -0.0049 0.2359 0.066 Uiso 1 1 calc R U .
C12 C 0.27906(11) 0.0061(4) 0.1835(2) 0.0470(18) Uani 1 1 d . . .
H12A H 0.2731 -0.0358 0.1984 0.070 Uiso 1 1 calc R U .
H12B H 0.2883 -0.0183 0.1667 0.070 Uiso 1 1 calc R U .
H12C H 0.2644 0.0361 0.1610 0.070 Uiso 1 1 calc R U .
C13 C 0.24084(10) 0.2894(3) 0.2321(2) 0.0284(13) Uani 1 1 d . . .
H13 H 0.2350 0.2886 0.1969 0.034 Uiso 1 1 calc R U .
C14 C 0.21747(10) 0.2989(4) 0.2417(2) 0.0429(17) Uani 1 1 d . . .
H14A H 0.2227 0.3069 0.2757 0.064 Uiso 1 1 calc R U .
H14B H 0.2070 0.2506 0.2314 0.064 Uiso 1 1 calc R U .
H14C H 0.2076 0.3451 0.2242 0.064 Uiso 1 1 calc R U .
C15 C 0.25849(11) 0.3610(3) 0.2515(2) 0.0449(17) Uani 1 1 d . . .
H15A H 0.2630 0.3669 0.2854 0.067 Uiso 1 1 calc R U .
H15B H 0.2498 0.4095 0.2347 0.067 Uiso 1 1 calc R U .
H15C H 0.2740 0.3527 0.2468 0.067 Uiso 1 1 calc R U .
C16 C 0.28121(9) 0.3041(3) 0.10044(18) 0.0223(13) Uani 1 1 d . . .
C17 C 0.29044(10) 0.2634(3) 0.07267(19) 0.0264(13) Uani 1 1 d . . .
C18 C 0.30079(11) 0.3101(4) 0.0474(2) 0.0365(15) Uani 1 1 d . . .
H18 H 0.3074 0.2844 0.0278 0.044 Uiso 1 1 calc R U .
C19 C 0.30147(10) 0.3911(4) 0.0506(2) 0.0348(15) Uani 1 1 d . . .
H19 H 0.3084 0.4213 0.0329 0.042 Uiso 1 1 calc R U .
C20 C 0.29222(10) 0.4302(3) 0.07937(19) 0.0298(14) Uani 1 1 d . . .
H20 H 0.2931 0.4868 0.0816 0.036 Uiso 1 1 calc R U .
C21 C 0.28179(9) 0.3876(3) 0.10481(18) 0.0254(13) Uani 1 1 d . . .
C22 C 0.29154(11) 0.1731(3) 0.0709(2) 0.0355(15) Uani 1 1 d . . .
H22 H 0.2803 0.1514 0.0853 0.043 Uiso 1 1 calc R U .
C23 C 0.28164(13) 0.1411(4) 0.0204(2) 0.0524(19) Uani 1 1 d . . .
H23A H 0.2641 0.1590 0.0023 0.079 Uiso 1 1 calc R U .
H23B H 0.2822 0.0825 0.0212 0.079 Uiso 1 1 calc R U .
H23C H 0.2923 0.1611 0.0054 0.079 Uiso 1 1 calc R U .
C24 C 0.31802(13) 0.1438(4) 0.1001(2) 0.062(2) Uani 1 1 d . . .
H24A H 0.3242 0.1658 0.1322 0.093 Uiso 1 1 calc R U .
H24B H 0.3293 0.1611 0.0856 0.093 Uiso 1 1 calc R U .
H24C H 0.3180 0.0854 0.1016 0.093 Uiso 1 1 calc R U .
C25 C 0.27066(10) 0.4290(3) 0.1352(2) 0.0322(14) Uani 1 1 d . . .
H25 H 0.2744 0.3949 0.1638 0.039 Uiso 1 1 calc R U .
C26 C 0.24178(11) 0.4365(4) 0.1090(2) 0.0488(18) Uani 1 1 d . . .
H26A H 0.2348 0.4549 0.1310 0.073 Uiso 1 1 calc R U .
H26B H 0.2345 0.3843 0.0961 0.073 Uiso 1 1 calc R U .
H26C H 0.2375 0.4750 0.0831 0.073 Uiso 1 1 calc R U .
C27 C 0.28220(11) 0.5113(3) 0.1527(2) 0.0361(15) Uani 1 1 d . . .
H27A H 0.3008 0.5067 0.1691 0.054 Uiso 1 1 calc R U .
H27B H 0.2756 0.5326 0.1746 0.054 Uiso 1 1 calc R U .
H27C H 0.2777 0.5475 0.1256 0.054 Uiso 1 1 calc R U .
K1 K 0.18695(2) 0.18523(7) 0.47162(4) 0.0302(3) Uani 1 1 d . . .
N3 N 0.19395(9) 0.1160(3) 0.56615(16) 0.0341(12) Uani 1 1 d . . .
N4 N 0.18227(8) 0.2546(3) 0.37835(16) 0.0309(11) Uani 1 1 d . . .
O1 O 0.23520(7) 0.1127(2) 0.53238(13) 0.0326(9) Uani 1 1 d . . .
O2 O 0.22663(6) 0.1637(2) 0.44060(13) 0.0320(10) Uani 1 1 d . . .
O3 O 0.14832(7) 0.1282(2) 0.38627(13) 0.0308(9) Uani 1 1 d . . .
O4 O 0.15849(7) 0.0497(2) 0.47401(14) 0.0347(10) Uani 1 1 d . . .
O5 O 0.18254(7) 0.2834(2) 0.53966(13) 0.0351(10) Uani 1 1 d . . .
O6 O 0.18314(7) 0.3556(2) 0.45784(14) 0.0347(10) Uani 1 1 d . . .
C28 C 0.22060(11) 0.0938(4) 0.5930(2) 0.0474(18) Uani 1 1 d . . .
H28A H 0.2218 0.0564 0.6185 0.057 Uiso 1 1 calc R U .
H28B H 0.2304 0.1423 0.6082 0.057 Uiso 1 1 calc R U .
C29 C 0.23277(12) 0.0552(4) 0.5637(2) 0.0477(18) Uani 1 1 d . . .
H29A H 0.2498 0.0340 0.5848 0.057 Uiso 1 1 calc R U .
H29B H 0.2221 0.0100 0.5453 0.057 Uiso 1 1 calc R U .
C30 C 0.24910(10) 0.0816(3) 0.5080(2) 0.0347(15) Uani 1 1 d . . .
H30A H 0.2403 0.0338 0.4897 0.042 Uiso 1 1 calc R U .
H30B H 0.2663 0.0652 0.5312 0.042 Uiso 1 1 calc R U .
C31 C 0.25144(10) 0.1419(4) 0.4756(2) 0.0365(16) Uani 1 1 d . . .
H31A H 0.2602 0.1898 0.4939 0.044 Uiso 1 1 calc R U .
H31B H 0.2618 0.1202 0.4598 0.044 Uiso 1 1 calc R U .
C32 C 0.22788(10) 0.2178(4) 0.4064(2) 0.0341(15) Uani 1 1 d . . .
H32A H 0.2406 0.1989 0.3952 0.041 Uiso 1 1 calc R U .
H32B H 0.2332 0.2712 0.4209 0.041 Uiso 1 1 calc R U .
C33 C 0.20226(10) 0.2231(4) 0.3658(2) 0.0336(15) Uani 1 1 d . . .
H33A H 0.2035 0.2577 0.3411 0.040 Uiso 1 1 calc R U .
H33B H 0.1972 0.1691 0.3520 0.040 Uiso 1 1 calc R U .
C34 C 0.15687(10) 0.2319(3) 0.34167(19) 0.0332(15) Uani 1 1 d . . .
H34A H 0.1561 0.2442 0.3100 0.040 Uiso 1 1 calc R U .
H34B H 0.1437 0.2643 0.3459 0.040 Uiso 1 1 calc R U .
C35 C 0.15099(11) 0.1448(4) 0.3436(2) 0.0381(16) Uani 1 1 d . . .
H35A H 0.1350 0.1309 0.3159 0.046 Uiso 1 1 calc R U .
H35B H 0.1649 0.1119 0.3424 0.046 Uiso 1 1 calc R U .
C36 C 0.14331(10) 0.0456(3) 0.3903(2) 0.0317(14) Uani 1 1 d . . .
H36A H 0.1586 0.0135 0.3953 0.038 Uiso 1 1 calc R U .
H36B H 0.1291 0.0272 0.3607 0.038 Uiso 1 1 calc R U .
C37 C 0.13651(10) 0.0342(3) 0.4308(2) 0.0367(15) Uani 1 1 d . . .
H37A H 0.1226 0.0711 0.4278 0.044 Uiso 1 1 calc R U .
H37B H 0.1306 -0.0212 0.4308 0.044 Uiso 1 1 calc R U .
C38 C 0.15292(11) 0.0516(4) 0.5145(2) 0.0356(15) Uani 1 1 d . . .
H38A H 0.1414 0.0069 0.5130 0.043 Uiso 1 1 calc R U .
H38B H 0.1443 0.1024 0.5152 0.043 Uiso 1 1 calc R U .
C39 C 0.17751(11) 0.0444(4) 0.5582(2) 0.0396(16) Uani 1 1 d . . .
H39A H 0.1737 0.0365 0.5861 0.047 Uiso 1 1 calc R U .
H39B H 0.1869 -0.0032 0.5553 0.047 Uiso 1 1 calc R U .
C40 C 0.18644(11) 0.1756(4) 0.5920(2) 0.0396(16) Uani 1 1 d . . .
H40A H 0.1941 0.1609 0.6260 0.048 Uiso 1 1 calc R U .
H40B H 0.1677 0.1737 0.5807 0.048 Uiso 1 1 calc R U .
C41 C 0.19398(11) 0.2589(4) 0.5875(2) 0.0413(16) Uani 1 1 d . . .
H41A H 0.1886 0.2950 0.6068 0.050 Uiso 1 1 calc R U .
H41B H 0.2127 0.2622 0.5996 0.050 Uiso 1 1 calc R U .
C42 C 0.18361(12) 0.3672(3) 0.5351(2) 0.0385(16) Uani 1 1 d . . .
H42A H 0.2016 0.3848 0.5479 0.046 Uiso 1 1 calc R U .
H42B H 0.1754 0.3940 0.5533 0.046 Uiso 1 1 calc R U .
C43 C 0.17014(12) 0.3898(4) 0.4836(2) 0.0435(17) Uani 1 1 d . . .
H43A H 0.1524 0.3701 0.4705 0.052 Uiso 1 1 calc R U .
H43B H 0.1697 0.4486 0.4804 0.052 Uiso 1 1 calc R U .
C44 C 0.17086(12) 0.3785(3) 0.4095(2) 0.0406(16) Uani 1 1 d . . .
H44A H 0.1709 0.4374 0.4069 0.049 Uiso 1 1 calc R U .
H44B H 0.1529 0.3602 0.3958 0.049 Uiso 1 1 calc R U .
C45 C 0.18438(12) 0.3425(3) 0.3828(2) 0.0412(16) Uani 1 1 d . . .
H45A H 0.1775 0.3661 0.3506 0.049 Uiso 1 1 calc R U .
H45B H 0.2026 0.3570 0.3989 0.049 Uiso 1 1 calc R U .
K2 K 0.10498(2) 0.32924(7) 0.05524(4) 0.0317(3) Uani 1 1 d . . .
N5 N 0.05220(9) 0.2776(3) 0.03919(18) 0.0401(13) Uani 1 1 d . . .
N6 N 0.15910(9) 0.3798(3) 0.07344(17) 0.0354(12) Uani 1 1 d . . .
O7 O 0.07718(8) 0.4209(2) 0.09381(14) 0.0434(11) Uani 1 1 d . . .
O8 O 0.12959(8) 0.4538(2) 0.12178(15) 0.0469(12) Uani 1 1 d . . .
O9 O 0.14621(7) 0.2176(2) 0.09110(13) 0.0341(10) Uani 1 1 d . . .
O10 O 0.09742(8) 0.1800(2) 0.08859(14) 0.0406(11) Uani 1 1 d . . .
O11 O 0.06886(7) 0.2994(2) -0.03761(13) 0.0344(10) Uani 1 1 d . . .
O12 O 0.11640(7) 0.3715(2) -0.02101(13) 0.0335(10) Uani 1 1 d . . .
C46 C 0.03980(12) 0.3446(4) 0.0514(2) 0.0483(18) Uani 1 1 d . . .
H46A H 0.0239 0.3250 0.0523 0.058 Uiso 1 1 calc R U .
H46B H 0.0350 0.3850 0.0258 0.058 Uiso 1 1 calc R U .
C47 C 0.05553(12) 0.3845(4) 0.0974(2) 0.0496(18) Uani 1 1 d . . .
H47A H 0.0453 0.4257 0.1044 0.060 Uiso 1 1 calc R U .
H47B H 0.0613 0.3448 0.1234 0.060 Uiso 1 1 calc R U .
C48 C 0.09317(14) 0.4617(5) 0.1371(3) 0.069(2) Uani 1 1 d . . .
H48A H 0.1016 0.4224 0.1628 0.083 Uiso 1 1 calc R U .
H48B H 0.0828 0.4980 0.1468 0.083 Uiso 1 1 calc R U .
C49 C 0.11252(13) 0.5079(4) 0.1284(3) 0.064(2) Uani 1 1 d . . .
H49A H 0.1042 0.5416 0.0998 0.077 Uiso 1 1 calc R U .
H49B H 0.1220 0.5432 0.1558 0.077 Uiso 1 1 calc R U .
C50 C 0.14813(12) 0.4950(4) 0.1116(2) 0.0469(18) Uani 1 1 d . . .
H50A H 0.1561 0.5374 0.1355 0.056 Uiso 1 1 calc R U .
H50B H 0.1399 0.5205 0.0800 0.056 Uiso 1 1 calc R U .
C51 C 0.16808(11) 0.4368(4) 0.1124(2) 0.0437(17) Uani 1 1 d . . .
H51A H 0.1825 0.4671 0.1115 0.052 Uiso 1 1 calc R U .
H51B H 0.1745 0.4070 0.1427 0.052 Uiso 1 1 calc R U .
C52 C 0.17594(11) 0.3094(4) 0.0856(2) 0.0431(17) Uani 1 1 d . . .
H52A H 0.1938 0.3275 0.1020 0.052 Uiso 1 1 calc R U .
H52B H 0.1740 0.2825 0.0559 0.052 Uiso 1 1 calc R U .
C53 C 0.17068(11) 0.2508(4) 0.1162(2) 0.0441(17) Uani 1 1 d . . .
H53A H 0.1837 0.2079 0.1258 0.053 Uiso 1 1 calc R U .
H53B H 0.1716 0.2777 0.1452 0.053 Uiso 1 1 calc R U .
C54 C 0.14210(12) 0.1533(4) 0.1178(2) 0.0453(17) Uani 1 1 d . . .
H54A H 0.1441 0.1732 0.1491 0.054 Uiso 1 1 calc R U .
H54B H 0.1549 0.1107 0.1230 0.054 Uiso 1 1 calc R U .
C55 C 0.11587(11) 0.1207(3) 0.0910(2) 0.0399(16) Uani 1 1 d . . .
H55A H 0.1134 0.1056 0.0585 0.048 Uiso 1 1 calc R U .
H55B H 0.1136 0.0722 0.1070 0.048 Uiso 1 1 calc R U .
C56 C 0.07266(12) 0.1467(4) 0.0702(2) 0.0459(18) Uani 1 1 d . . .
H56A H 0.0723 0.1006 0.0898 0.055 Uiso 1 1 calc R U .
H56B H 0.0679 0.1276 0.0375 0.055 Uiso 1 1 calc R U .
C57 C 0.05400(12) 0.2086(4) 0.0702(3) 0.0498(18) Uani 1 1 d . . .
H57A H 0.0370 0.1836 0.0596 0.060 Uiso 1 1 calc R U .
H57B H 0.0591 0.2279 0.1030 0.060 Uiso 1 1 calc R U .
C58 C 0.03808(11) 0.2545(4) -0.0111(2) 0.0460(17) Uani 1 1 d . . .
H58A H 0.0196 0.2549 -0.0193 0.055 Uiso 1 1 calc R U .
H58B H 0.0429 0.1993 -0.0154 0.055 Uiso 1 1 calc R U .
C59 C 0.04312(11) 0.3085(4) -0.0444(2) 0.0437(17) Uani 1 1 d . . .
H59A H 0.0315 0.2951 -0.0775 0.052 Uiso 1 1 calc R U .
H59B H 0.0400 0.3647 -0.0384 0.052 Uiso 1 1 calc R U .
C60 C 0.07363(11) 0.3416(4) -0.0724(2) 0.0398(16) Uani 1 1 d . . .
H60A H 0.0699 0.3990 -0.0710 0.048 Uiso 1 1 calc R U .
H60B H 0.0622 0.3215 -0.1043 0.048 Uiso 1 1 calc R U .
C61 C 0.10081(11) 0.3316(4) -0.0647(2) 0.0396(16) Uani 1 1 d . . .
H61A H 0.1053 0.2743 -0.0627 0.047 Uiso 1 1 calc R U .
H61B H 0.1035 0.3556 -0.0914 0.047 Uiso 1 1 calc R U .
C62 C 0.14200(11) 0.3736(4) -0.0151(2) 0.0423(17) Uani 1 1 d . . .
H62A H 0.1431 0.4009 -0.0424 0.051 Uiso 1 1 calc R U .
H62B H 0.1486 0.3185 -0.0133 0.051 Uiso 1 1 calc R U .
C63 C 0.15783(11) 0.4187(4) 0.0308(2) 0.0415(16) Uani 1 1 d . . .
H63A H 0.1754 0.4253 0.0335 0.050 Uiso 1 1 calc R U .
H63B H 0.1505 0.4727 0.0289 0.050 Uiso 1 1 calc R U .
K3 K 0.03660(2) 0.10004(7) 0.36546(4) 0.0309(3) Uani 1 1 d . . .
N7 N 0.04821(9) -0.0747(3) 0.35896(16) 0.0317(12) Uani 1 1 d . . .
N8 N 0.02491(8) 0.2746(3) 0.37284(16) 0.0300(11) Uani 1 1 d . . .
O13 O -0.00276(7) -0.0147(2) 0.34313(13) 0.0366(10) Uani 1 1 d . . .
O14 O -0.01523(7) 0.1497(2) 0.33600(13) 0.0337(10) Uani 1 1 d . . .
O15 O 0.05613(7) 0.1774(2) 0.45359(13) 0.0351(10) Uani 1 1 d . . .
O16 O 0.07328(7) 0.0195(2) 0.44639(13) 0.0363(10) Uani 1 1 d . . .
O17 O 0.05965(7) 0.0546(2) 0.30557(13) 0.0341(10) Uani 1 1 d . . .
O18 O 0.05501(7) 0.2175(2) 0.32222(13) 0.0353(10) Uani 1 1 d . . .
C64 C 0.02625(11) -0.1231(4) 0.3533(2) 0.0425(16) Uani 1 1 d . . .
H64A H 0.0267 -0.1332 0.3850 0.051 Uiso 1 1 calc R U .
H64B H 0.0276 -0.1753 0.3397 0.051 Uiso 1 1 calc R U .
C65 C 0.00116(11) -0.0863(4) 0.3225(2) 0.0423(17) Uani 1 1 d . . .
H65A H 0.0006 -0.0743 0.2910 0.051 Uiso 1 1 calc R U .
H65B H -0.0127 -0.1245 0.3181 0.051 Uiso 1 1 calc R U .
C66 C -0.02804(10) 0.0147(4) 0.3183(2) 0.0427(17) Uani 1 1 d . . .
H66A H -0.0404 -0.0256 0.3191 0.051 Uiso 1 1 calc R U .
H66B H -0.0316 0.0246 0.2847 0.051 Uiso 1 1 calc R U .
C67 C -0.03096(11) 0.0892(4) 0.3405(2) 0.0436(17) Uani 1 1 d . . .
H67A H -0.0490 0.1067 0.3252 0.052 Uiso 1 1 calc R U .
H67B H -0.0264 0.0796 0.3745 0.052 Uiso 1 1 calc R U .
C68 C -0.01883(10) 0.2231(4) 0.3536(2) 0.0395(16) Uani 1 1 d . . .
H68A H -0.0143 0.2181 0.3879 0.047 Uiso 1 1 calc R U .
H68B H -0.0370 0.2386 0.3374 0.047 Uiso 1 1 calc R U .
C69 C -0.00286(11) 0.2859(4) 0.3460(2) 0.0385(16) Uani 1 1 d . . .
H69A H -0.0069 0.2880 0.3117 0.046 Uiso 1 1 calc R U .
H69B H -0.0076 0.3382 0.3548 0.046 Uiso 1 1 calc R U .
C70 C 0.03249(11) 0.2965(4) 0.4222(2) 0.0388(16) Uani 1 1 d . . .
H70A H 0.0192 0.2780 0.4321 0.047 Uiso 1 1 calc R U .
H70B H 0.0333 0.3555 0.4249 0.047 Uiso 1 1 calc R U .
C71 C 0.05761(10) 0.2626(3) 0.4554(2) 0.0358(15) Uani 1 1 d . . .
H71A H 0.0711 0.2809 0.4462 0.043 Uiso 1 1 calc R U .
H71B H 0.0619 0.2812 0.4881 0.043 Uiso 1 1 calc R U .
C72 C 0.07869(11) 0.1423(4) 0.4887(2) 0.0392(16) Uani 1 1 d . . .
H72A H 0.0823 0.1653 0.5202 0.047 Uiso 1 1 calc R U .
H72B H 0.0934 0.1538 0.4812 0.047 Uiso 1 1 calc R U .
C73 C 0.07505(12) 0.0542(4) 0.4896(2) 0.0403(16) Uani 1 1 d . . .
H73A H 0.0896 0.0304 0.5167 0.048 Uiso 1 1 calc R U .
H73B H 0.0593 0.0428 0.4936 0.048 Uiso 1 1 calc R U .
C74 C 0.07088(12) -0.0651(3) 0.4464(2) 0.0415(16) Uani 1 1 d . . .
H74A H 0.0550 -0.0795 0.4491 0.050 Uiso 1 1 calc R U .
H74B H 0.0854 -0.0879 0.4740 0.050 Uiso 1 1 calc R U .
C75 C 0.07043(11) -0.0991(3) 0.4021(2) 0.0402(16) Uani 1 1 d . . .
H75A H 0.0861 -0.0824 0.3992 0.048 Uiso 1 1 calc R U .
H75B H 0.0706 -0.1581 0.4044 0.048 Uiso 1 1 calc R U .
C76 C 0.05377(11) -0.0846(3) 0.3173(2) 0.0400(16) Uani 1 1 d . . .
H76A H 0.0375 -0.0828 0.2884 0.048 Uiso 1 1 calc R U .
H76B H 0.0614 -0.1380 0.3188 0.048 Uiso 1 1 calc R U .
C77 C 0.07158(11) -0.0221(3) 0.3132(2) 0.0391(16) Uani 1 1 d . . .
H77A H 0.0876 -0.0212 0.3426 0.047 Uiso 1 1 calc R U .
H77B H 0.0758 -0.0354 0.2864 0.047 Uiso 1 1 calc R U .
C78 C 0.07535(12) 0.1138(3) 0.2987(2) 0.0413(16) Uani 1 1 d . . .
H78A H 0.0806 0.0964 0.2737 0.050 Uiso 1 1 calc R U .
H78B H 0.0909 0.1220 0.3284 0.050 Uiso 1 1 calc R U .
C79 C 0.06051(13) 0.1895(4) 0.2842(2) 0.0449(17) Uani 1 1 d . . .
H79A H 0.0705 0.2303 0.2763 0.054 Uiso 1 1 calc R U .
H79B H 0.0444 0.1801 0.2557 0.054 Uiso 1 1 calc R U .
C80 C 0.03986(11) 0.2885(3) 0.3093(2) 0.0370(15) Uani 1 1 d . . .
H80A H 0.0224 0.2758 0.2856 0.044 Uiso 1 1 calc R U .
H80B H 0.0474 0.3277 0.2950 0.044 Uiso 1 1 calc R U .
C81 C 0.03898(11) 0.3229(3) 0.3528(2) 0.0367(15) Uani 1 1 d . . .
H81A H 0.0566 0.3298 0.3772 0.044 Uiso 1 1 calc R U .
H81B H 0.0311 0.3765 0.3452 0.044 Uiso 1 1 calc R U .
N9 N 0.0000 0.1039(7) 0.2500 0.144(5) Uani 1 2 d S T P
H9D H -0.0007 0.1545 0.2389 0.215 Uiso 0.5 1 d R U P
H9E H -0.0160 0.0875 0.2445 0.215 Uiso 0.5 1 d R U P
H9F H 0.0066 0.0707 0.2349 0.215 Uiso 0.5 1 d R U P
N10 N -0.00269(13) 0.0371(4) 0.5505(2) 0.104(3) Uani 1 1 d . . .
H10A H -0.0034 0.0367 0.5792 0.157 Uiso 1 1 d R U .
H10B H -0.0139 0.0738 0.5313 0.157 Uiso 1 1 d R U .
H10C H 0.0134 0.0500 0.5545 0.157 Uiso 1 1 d R U .
N11 N 0.02107(11) 0.1814(4) 0.5101(2) 0.087(2) Uani 1 1 d . . .
H11D H 0.0347 0.2034 0.5346 0.130 Uiso 1 1 d R U .
H11E H 0.0090 0.2194 0.4963 0.130 Uiso 1 1 d R U .
H11F H 0.0262 0.1613 0.4884 0.130 Uiso 1 1 d R U .
N12 N 0.03223(13) 0.3716(4) 0.5474(3) 0.109(3) Uani 1 1 d . . .
H12D H 0.0432 0.3413 0.5402 0.163 Uiso 1 1 d R U .
H12E H 0.0365 0.3680 0.5790 0.163 Uiso 1 1 d R U .
H12F H 0.0333 0.4234 0.5396 0.163 Uiso 1 1 d R U .
N13 N 0.06826(19) 0.4794(5) 0.4985(3) 0.157(4) Uani 1 1 d . U .
H13A H 0.0526 0.4981 0.4787 0.235 Uiso 1 1 d R U .
H13B H 0.0765 0.5167 0.5211 0.235 Uiso 1 1 d R U .
H13C H 0.0665 0.4336 0.5125 0.235 Uiso 1 1 d R U .
N14 N 0.10157(14) 0.4465(4) 0.4394(3) 0.129(3) Uani 1 1 d . U .
H14D H 0.0906 0.4155 0.4153 0.194 Uiso 1 1 d R U .
H14E H 0.1060 0.4901 0.4270 0.194 Uiso 1 1 d R U .
H14F H 0.0939 0.4625 0.4580 0.194 Uiso 1 1 d R U .
N15 N 0.12404(11) 0.3211(4) 0.5334(2) 0.0734(19) Uani 1 1 d . . .
H15D H 0.1330 0.2870 0.5235 0.110 Uiso 1 1 d R U .
H15E H 0.1115 0.2936 0.5375 0.110 Uiso 1 1 d R U .
H15F H 0.1347 0.3436 0.5615 0.110 Uiso 1 1 d R U .
N16 N 0.11470(13) 0.2518(4) 0.4166(3) 0.102(3) Uani 1 1 d . . .
H16A H 0.1068 0.2513 0.4365 0.153 Uiso 1 1 d R U .
H16B H 0.1099 0.2079 0.3976 0.153 Uiso 1 1 d R U .
H16C H 0.1102 0.2966 0.3985 0.153 Uiso 1 1 d R U .
N17 N 0.10182(15) 0.3829(6) 0.3356(3) 0.175(5) Uani 1 1 d . . .
H17A H 0.1154 0.4025 0.3316 0.262 Uiso 1 1 d R U .
H17B H 0.0892 0.4202 0.3264 0.262 Uiso 1 1 d R U .
H17C H 0.0960 0.3380 0.3178 0.262 Uiso 1 1 d R U .
N18 N 0.05984(15) 0.3979(5) 0.2245(3) 0.127(3) Uani 1 1 d . U .
H18A H 0.0448 0.3721 0.2081 0.190 Uiso 1 1 d R U .
H18B H 0.0728 0.3617 0.2351 0.190 Uiso 1 1 d R U .
H18C H 0.0625 0.4338 0.2052 0.190 Uiso 1 1 d R U .
N19 N 0.09594(11) 0.2288(4) 0.2036(3) 0.104(3) Uani 1 1 d . . .
H19A H 0.0957 0.1764 0.2110 0.156 Uiso 1 1 d R U .
H19B H 0.1099 0.2386 0.1981 0.156 Uiso 1 1 d R U .
H19C H 0.0816 0.2408 0.1771 0.156 Uiso 1 1 d R U .
N20 N 0.14830(12) 0.3278(4) 0.2166(3) 0.099(3) Uani 1 1 d . U .
H20A H 0.1423 0.3669 0.2295 0.148 Uiso 1 1 d R U .
H20B H 0.1477 0.2801 0.2301 0.148 Uiso 1 1 d R U .
H20C H 0.1385 0.3252 0.1848 0.148 Uiso 1 1 d R U .
N21 N 0.17193(10) 0.1470(3) 0.24424(17) 0.0484(14) Uani 1 1 d . . .
H21A H 0.1765 0.1970 0.2395 0.073 Uiso 1 1 d R U .
H21B H 0.1567 0.1339 0.2201 0.073 Uiso 1 1 d R U .
H21C H 0.1840 0.1114 0.2452 0.073 Uiso 1 1 d R U .
N22 N 0.21298(9) 0.0596(3) 0.18630(18) 0.0486(15) Uani 1 1 d . . .
H22A H 0.2055 0.0858 0.1581 0.073 Uiso 1 1 d R U .
H22B H 0.2188 0.0958 0.2104 0.073 Uiso 1 1 d R U .
H22C H 0.2014 0.0268 0.1899 0.073 Uiso 1 1 d R U .
N23 N 0.12407(14) 0.4613(5) 0.2724(3) 0.126(3) Uani 1 1 d . . .
H23D H 0.1126 0.4857 0.2458 0.188 Uiso 1 1 d R U .
H23E H 0.1260 0.4095 0.2658 0.188 Uiso 1 1 d R U .
H23F H 0.1393 0.4870 0.2825 0.188 Uiso 1 1 d R U .
N24 N 0.11595(19) 0.5938(7) 0.3428(3) 0.197(5) Uani 1 1 d . U .
H24D H 0.1151 0.5682 0.3164 0.296 Uiso 1 1 d R U .
H24E H 0.1027 0.6285 0.3348 0.296 Uiso 1 1 d R U .
H24F H 0.1152 0.5573 0.3638 0.296 Uiso 1 1 d R U .
N25 N 0.05818(17) 0.5172(5) 0.3261(3) 0.163(4) Uani 1 1 d . . .
H25A H 0.0475 0.5491 0.3331 0.244 Uiso 1 1 d R U .
H25B H 0.0562 0.4656 0.3331 0.244 Uiso 1 1 d R U .
H25C H 0.0544 0.5214 0.2947 0.244 Uiso 1 1 d R U .
N26 N 0.0566(3) 0.6991(9) 0.2868(5) 0.316(9) Uiso 1 1 d . . .
H26D H 0.0410 0.6834 0.2652 0.474 Uiso 1 1 d R U .
H26E H 0.0599 0.6768 0.3155 0.474 Uiso 1 1 d R U .
H26F H 0.0687 0.6830 0.2772 0.474 Uiso 1 1 d R U .
N27 N 0.06224(13) 0.5854(4) 0.2007(3) 0.101(3) Uani 1 1 d . . .
H27D H 0.0786 0.5714 0.2076 0.151 Uiso 1 1 d R U .
H27E H 0.0529 0.5846 0.1688 0.151 Uiso 1 1 d R U .
H27F H 0.0556 0.5502 0.2147 0.151 Uiso 1 1 d R U .
N28 N 0.01979(10) 0.7482(4) 0.1260(2) 0.076(2) Uani 1 1 d . . .
H28C H 0.0217 0.7003 0.1141 0.114 Uiso 1 1 d R U .
H28D H 0.0313 0.7521 0.1568 0.114 Uiso 1 1 d R U .
H28E H 0.0224 0.7884 0.1089 0.114 Uiso 1 1 d R U .
N29 N -0.0017(3) 0.6477(10) 0.1861(6) 0.365(10) Uiso 1 1 d . . .
H29C H 0.0060 0.6964 0.1926 0.548 Uiso 1 1 d R U .
H29D H 0.0019 0.6211 0.2137 0.548 Uiso 1 1 d R U .
H29E H -0.0189 0.6543 0.1703 0.548 Uiso 1 1 d R U .
N30 N 0.12662(12) 0.8124(4) 0.3846(2) 0.081(2) Uani 1 1 d . . .
H30C H 0.1262 0.8424 0.3598 0.122 Uiso 1 1 d R U .
H30D H 0.1331 0.7633 0.3836 0.122 Uiso 1 1 d R U .
H30E H 0.1367 0.8370 0.4123 0.122 Uiso 1 1 d R U .
N31 N 0.15428(12) 0.8395(3) 0.4995(2) 0.075(2) Uani 1 1 d . . .
H31C H 0.1599 0.8848 0.4908 0.112 Uiso 1 1 d R U .
H31D H 0.1370 0.8380 0.4849 0.112 Uiso 1 1 d R U .
H31E H 0.1607 0.7960 0.4908 0.112 Uiso 1 1 d R U .
N32 N 0.0054(2) 0.5076(7) 0.4246(4) 0.236(6) Uiso 1 1 d . . .
H32C H 0.0041 0.5427 0.4014 0.355 Uiso 1 1 d R U .
H32D H -0.0029 0.5276 0.4415 0.355 Uiso 1 1 d R U .
H32E H -0.0018 0.4602 0.4113 0.355 Uiso 1 1 d R U .
N33 N 0.0106(4) 0.4600(11) 0.2409(7) 0.171(9) Uiso 0.5 1 d . . P
H33C H -0.0036 0.4429 0.2437 0.257 Uiso 0.5 1 d R U P
H33D H 0.0188 0.4173 0.2356 0.257 Uiso 0.5 1 d R U P
H33E H 0.0061 0.4946 0.2161 0.257 Uiso 0.5 1 d R U P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
Sn5 Sn1 Sn2 67.810(14) .
Sn5 Sn1 Sn3 100.874(15) .
Sn2 Sn1 Sn3 64.995(13) .
Sn5 Sn1 Sn4 65.427(14) .
Sn2 Sn1 Sn4 100.247(15) .
Sn3 Sn1 Sn4 65.383(14) .
Sn6 Sn2 Sn1 108.865(16) .
Sn6 Sn2 Sn7 63.753(13) .
Sn1 Sn2 Sn7 110.626(16) .
Sn6 Sn2 Sn3 102.115(15) .
Sn1 Sn2 Sn3 57.673(13) .
Sn7 Sn2 Sn3 57.875(12) .
Sn6 Sn2 Sn5 56.957(12) .
Sn1 Sn2 Sn5 55.853(13) .
Sn7 Sn2 Sn5 101.492(14) .
Sn3 Sn2 Sn5 89.432(14) .
Sn1 Sn3 Sn7 109.857(16) .
Sn1 Sn3 Sn8 109.743(17) .
Sn7 Sn3 Sn8 62.651(13) .
Sn1 Sn3 Sn2 57.332(12) .
Sn7 Sn3 Sn2 57.373(12) .
Sn8 Sn3 Sn2 101.496(15) .
Sn1 Sn3 Sn4 57.345(13) .
Sn7 Sn3 Sn4 101.612(15) .
Sn8 Sn3 Sn4 57.287(13) .
Sn2 Sn3 Sn4 90.758(14) .
Sn1 Sn4 Sn8 109.898(17) .
Sn1 Sn4 Sn9 108.929(16) .
Sn8 Sn4 Sn9 63.550(13) .
Sn1 Sn4 Sn5 56.827(13) .
Sn8 Sn4 Sn5 102.053(15) .
Sn9 Sn4 Sn5 56.833(13) .
Sn1 Sn4 Sn3 57.272(13) .
Sn8 Sn4 Sn3 57.529(13) .
Sn9 Sn4 Sn3 101.872(15) .
Sn5 Sn4 Sn3 90.709(14) .
Sn1 Sn5 Sn9 110.719(17) .
Sn1 Sn5 Sn6 107.988(16) .
Sn9 Sn5 Sn6 63.463(13) .
Sn1 Sn5 Sn4 57.746(13) .
Sn9 Sn5 Sn4 57.874(13) .
Sn6 Sn5 Sn4 101.171(15) .
Sn1 Sn5 Sn2 56.338(12) .
Sn9 Sn5 Sn2 100.581(14) .
Sn6 Sn5 Sn2 55.529(12) .
Sn4 Sn5 Sn2 89.093(14) .
Ag Sn6 Sn2 112.303(17) .
Ag Sn6 Sn5 111.127(16) .
Sn2 Sn6 Sn5 67.515(14) .
Ag Sn6 Sn7 57.459(13) .
Sn2 Sn6 Sn7 58.579(12) .
Sn5 Sn6 Sn7 105.217(15) .
Ag Sn6 Sn9 56.815(13) .
Sn2 Sn6 Sn9 104.898(15) .
Sn5 Sn6 Sn9 57.630(12) .
Sn7 Sn6 Sn9 90.342(14) .
Ag Sn6 Sn8 40.247(11) .
Sn2 Sn6 Sn8 78.553(12) .
Sn5 Sn6 Sn8 78.555(12) .
Sn7 Sn6 Sn8 44.860(10) .
Sn9 Sn6 Sn8 45.487(10) .
Ag Sn7 Sn2 110.959(16) .
Ag Sn7 Sn3 111.733(16) .
Sn2 Sn7 Sn3 64.751(14) .
Ag Sn7 Sn8 57.426(13) .
Sn2 Sn7 Sn8 103.889(15) .
Sn3 Sn7 Sn8 58.687(13) .
Ag Sn7 Sn6 56.929(13) .
Sn2 Sn7 Sn6 57.668(13) .
Sn3 Sn7 Sn6 102.689(15) .
Sn8 Sn7 Sn6 89.991(14) .
Ag Sn7 Sn9 39.391(11) .
Sn2 Sn7 Sn9 78.358(12) .
Sn3 Sn7 Sn9 78.309(12) .
Sn8 Sn7 Sn9 45.145(10) .
Sn6 Sn7 Sn9 44.852(10) .
Ag Sn8 Sn4 111.089(17) .
Ag Sn8 Sn3 111.794(17) .
Sn4 Sn8 Sn3 65.184(14) .
Ag Sn8 Sn7 57.515(13) .
Sn4 Sn8 Sn7 104.364(15) .
Sn3 Sn8 Sn7 58.663(13) .
Ag Sn8 Sn9 56.500(13) .
Sn4 Sn8 Sn9 58.295(13) .
Sn3 Sn8 Sn9 103.546(15) .
Sn7 Sn8 Sn9 90.334(14) .
Ag Sn8 Sn6 40.007(11) .
Sn4 Sn8 Sn6 78.192(12) .
Sn3 Sn8 Sn6 77.816(12) .
Sn7 Sn8 Sn6 45.149(10) .
Sn9 Sn8 Sn6 45.190(10) .
Ag Sn9 Sn5 112.640(17) .
Ag Sn9 Sn4 111.675(17) .
Sn5 Sn9 Sn4 65.293(14) .
Ag Sn9 Sn6 57.151(13) .
Sn5 Sn9 Sn6 58.907(13) .
Sn4 Sn9 Sn6 103.121(15) .
Ag Sn9 Sn8 57.271(13) .
Sn5 Sn9 Sn8 104.206(16) .
Sn4 Sn9 Sn8 58.155(13) .
Sn6 Sn9 Sn8 89.322(14) .
Ag Sn9 Sn7 39.854(11) .
Sn5 Sn9 Sn7 79.564(12) .
Sn4 Sn9 Sn7 78.191(12) .
Sn6 Sn9 Sn7 44.807(10) .
Sn8 Sn9 Sn7 44.521(10) .
C1 Ag Sn9 130.03(13) .
C1 Ag Sn6 128.78(13) .
Sn9 Ag Sn6 66.034(14) .
C1 Ag Sn8 131.46(13) .
Sn9 Ag Sn8 66.228(14) .
Sn6 Ag Sn8 99.746(16) .
C1 Ag Sn7 129.19(13) .
Sn9 Ag Sn7 100.755(16) .
Sn6 Ag Sn7 65.612(14) .
Sn8 Ag Sn7 65.059(14) .
C1 N1 C3 112.6(4) .
C1 N1 C4 124.6(4) .
C3 N1 C4 122.8(4) .
N1 C1 N2 102.8(4) .
N1 C1 Ag 128.1(3) .
N2 C1 Ag 129.1(4) .
C1 N2 C2 111.6(4) .
C1 N2 C16 124.6(4) .
C2 N2 C16 123.9(4) .
C3 C2 N2 106.3(5) .
C3 C2 H2 126.9 .
N2 C2 H2 126.9 .
C2 C3 N1 106.8(4) .
C2 C3 H3 126.6 .
N1 C3 H3 126.6 .
C5 C4 C9 123.9(5) .
C5 C4 N1 118.8(5) .
C9 C4 N1 117.3(5) .
C6 C5 C4 117.6(5) .
C6 C5 C10 121.3(5) .
C4 C5 C10 121.1(5) .
C7 C6 C5 120.3(5) .
C7 C6 H6 119.9 .
C5 C6 H6 119.9 .
C8 C7 C6 121.0(5) .
C8 C7 H7 119.5 .
C6 C7 H7 119.5 .
C7 C8 C9 122.2(5) .
C7 C8 H8 118.9 .
C9 C8 H8 118.9 .
C8 C9 C4 115.0(5) .
C8 C9 C13 122.4(5) .
C4 C9 C13 122.6(5) .
C11 C10 C12 110.6(5) .
C11 C10 C5 112.9(5) .
C12 C10 C5 111.3(4) .
C11 C10 H10 107.2 .
C12 C10 H10 107.2 .
C5 C10 H10 107.2 .
C10 C11 H11A 109.5 .
C10 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
C10 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
C10 C12 H12A 109.5 .
C10 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C10 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C9 C13 C14 113.2(5) .
C9 C13 C15 110.3(4) .
C14 C13 C15 110.2(5) .
C9 C13 H13 107.6 .
C14 C13 H13 107.6 .
C15 C13 H13 107.6 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C13 C15 H15A 109.5 .
C13 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C13 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C17 C16 C21 123.7(5) .
C17 C16 N2 118.0(5) .
C21 C16 N2 118.3(5) .
C16 C17 C18 116.5(5) .
C16 C17 C22 123.4(5) .
C18 C17 C22 119.9(5) .
C19 C18 C17 121.2(6) .
C19 C18 H18 119.4 .
C17 C18 H18 119.4 .
C18 C19 C20 120.7(5) .
C18 C19 H19 119.7 .
C20 C19 H19 119.7 .
C21 C20 C19 120.6(5) .
C21 C20 H20 119.7 .
C19 C20 H20 119.7 .
C20 C21 C16 117.2(5) .
C20 C21 C25 121.7(5) .
C16 C21 C25 121.1(5) .
C24 C22 C17 110.7(5) .
C24 C22 C23 110.7(5) .
C17 C22 C23 112.6(5) .
C24 C22 H22 107.5 .
C17 C22 H22 107.5 .
C23 C22 H22 107.5 .
C22 C23 H23A 109.5 .
C22 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
C22 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C22 C24 H24A 109.5 .
C22 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C22 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C21 C25 C26 111.2(5) .
C21 C25 C27 113.4(5) .
C26 C25 C27 109.4(5) .
C21 C25 H25 107.5 .
C26 C25 H25 107.5 .
C27 C25 H25 107.5 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C25 C27 H27A 109.5 .
C25 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C25 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
O5 K1 O3 128.81(11) .
O5 K1 O4 102.28(12) .
O3 K1 O4 60.87(11) .
O5 K1 O2 132.57(11) .
O3 K1 O2 94.02(11) .
O4 K1 O2 117.88(11) .
O5 K1 O6 60.06(11) .
O3 K1 O6 102.40(11) .
O4 K1 O6 142.29(11) .
O2 K1 O6 95.54(11) .
O5 K1 O1 97.16(11) .
O3 K1 O1 129.46(11) .
O4 K1 O1 93.37(11) .
O2 K1 O1 58.51(11) .
O6 K1 O1 120.30(11) .
O5 K1 N3 60.20(12) .
O3 K1 N3 120.88(12) .
O4 K1 N3 60.42(12) .
O2 K1 N3 118.83(12) .
O6 K1 N3 119.65(12) .
O1 K1 N3 60.59(11) .
O5 K1 N4 120.25(13) .
O3 K1 N4 60.88(11) .
O4 K1 N4 121.09(12) .
O2 K1 N4 59.04(12) .
O6 K1 N4 60.49(11) .
O1 K1 N4 117.19(12) .
N3 K1 N4 177.67(13) .
C28 N3 C40 110.4(5) .
C28 N3 C39 109.8(5) .
C40 N3 C39 108.9(4) .
C28 N3 K1 109.2(3) .
C40 N3 K1 109.0(3) .
C39 N3 K1 109.6(3) .
C33 N4 C45 109.9(4) .
C33 N4 C34 109.9(4) .
C45 N4 C34 110.1(5) .
C33 N4 K1 110.8(3) .
C45 N4 K1 108.7(3) .
C34 N4 K1 107.3(3) .
C30 O1 C29 111.2(4) .
C30 O1 K1 114.5(3) .
C29 O1 K1 112.6(3) .
C32 O2 C31 112.2(4) .
C32 O2 K1 118.2(3) .
C31 O2 K1 117.6(3) .
C35 O3 C36 112.1(4) .
C35 O3 K1 117.1(3) .
C36 O3 K1 110.8(3) .
C38 O4 C37 113.0(4) .
C38 O4 K1 111.0(3) .
C37 O4 K1 114.7(3) .
C41 O5 C42 112.0(4) .
C41 O5 K1 118.6(3) .
C42 O5 K1 119.2(3) .
C44 O6 C43 109.9(4) .
C44 O6 K1 113.4(3) .
C43 O6 K1 109.7(3) .
N3 C28 C29 114.4(5) .
N3 C28 H28A 108.7 .
C29 C28 H28A 108.7 .
N3 C28 H28B 108.7 .
C29 C28 H28B 108.7 .
H28A C28 H28B 107.6 .
O1 C29 C28 109.3(5) .
O1 C29 H29A 109.8 .
C28 C29 H29A 109.8 .
O1 C29 H29B 109.8 .
C28 C29 H29B 109.8 .
H29A C29 H29B 108.3 .
O1 C30 C31 110.5(5) .
O1 C30 H30A 109.5 .
C31 C30 H30A 109.5 .
O1 C30 H30B 109.5 .
C31 C30 H30B 109.5 .
H30A C30 H30B 108.1 .
O2 C31 C30 109.9(4) .
O2 C31 H31A 109.7 .
C30 C31 H31A 109.7 .
O2 C31 H31B 109.7 .
C30 C31 H31B 109.7 .
H31A C31 H31B 108.2 .
O2 C32 C33 108.9(4) .
O2 C32 H32A 109.9 .
C33 C32 H32A 109.9 .
O2 C32 H32B 109.9 .
C33 C32 H32B 109.9 .
H32A C32 H32B 108.3 .
N4 C33 C32 114.2(5) .
N4 C33 H33A 108.7 .
C32 C33 H33A 108.7 .
N4 C33 H33B 108.7 .
C32 C33 H33B 108.7 .
H33A C33 H33B 107.6 .
N4 C34 C35 112.7(5) .
N4 C34 H34A 109.0 .
C35 C34 H34A 109.0 .
N4 C34 H34B 109.0 .
C35 C34 H34B 109.0 .
H34A C34 H34B 107.8 .
O3 C35 C34 109.9(4) .
O3 C35 H35A 109.7 .
C34 C35 H35A 109.7 .
O3 C35 H35B 109.7 .
C34 C35 H35B 109.7 .
H35A C35 H35B 108.2 .
O3 C36 C37 109.6(4) .
O3 C36 H36A 109.7 .
C37 C36 H36A 109.7 .
O3 C36 H36B 109.7 .
C37 C36 H36B 109.7 .
H36A C36 H36B 108.2 .
O4 C37 C36 109.0(4) .
O4 C37 H37A 109.9 .
C36 C37 H37A 109.9 .
O4 C37 H37B 109.9 .
C36 C37 H37B 109.9 .
H37A C37 H37B 108.3 .
O4 C38 C39 108.5(4) .
O4 C38 H38A 110.0 .
C39 C38 H38A 110.0 .
O4 C38 H38B 110.0 .
C39 C38 H38B 110.0 .
H38A C38 H38B 108.4 .
N3 C39 C38 112.4(5) .
N3 C39 H39A 109.1 .
C38 C39 H39A 109.1 .
N3 C39 H39B 109.1 .
C38 C39 H39B 109.1 .
H39A C39 H39B 107.9 .
N3 C40 C41 114.9(5) .
N3 C40 H40A 108.5 .
C41 C40 H40A 108.5 .
N3 C40 H40B 108.5 .
C41 C40 H40B 108.5 .
H40A C40 H40B 107.5 .
O5 C41 C40 110.3(5) .
O5 C41 H41A 109.6 .
C40 C41 H41A 109.6 .
O5 C41 H41B 109.6 .
C40 C41 H41B 109.6 .
H41A C41 H41B 108.1 .
O5 C42 C43 109.4(5) .
O5 C42 H42A 109.8 .
C43 C42 H42A 109.8 .
O5 C42 H42B 109.8 .
C43 C42 H42B 109.8 .
H42A C42 H42B 108.2 .
O6 C43 C42 109.7(5) .
O6 C43 H43A 109.7 .
C42 C43 H43A 109.7 .
O6 C43 H43B 109.7 .
C42 C43 H43B 109.7 .
H43A C43 H43B 108.2 .
O6 C44 C45 109.7(5) .
O6 C44 H44A 109.7 .
C45 C44 H44A 109.7 .
O6 C44 H44B 109.7 .
C45 C44 H44B 109.7 .
H44A C44 H44B 108.2 .
N4 C45 C44 114.4(5) .
N4 C45 H45A 108.7 .
C44 C45 H45A 108.7 .
N4 C45 H45B 108.7 .
C44 C45 H45B 108.7 .
H45A C45 H45B 107.6 .
O11 K2 O10 93.28(12) .
O11 K2 O12 60.93(11) .
O10 K2 O12 131.67(12) .
O11 K2 O7 102.89(12) .
O10 K2 O7 96.89(12) .
O12 K2 O7 126.89(12) .
O11 K2 O8 143.38(13) .
O10 K2 O8 119.27(13) .
O12 K2 O8 101.82(12) .
O7 K2 O8 59.76(12) .
O11 K2 O9 114.93(11) .
O10 K2 O9 60.66(11) .
O12 K2 O9 92.19(11) .
O7 K2 O9 135.96(12) .
O8 K2 O9 96.64(12) .
O11 K2 N5 60.96(12) .
O10 K2 N5 59.98(13) .
O12 K2 N5 121.16(13) .
O7 K2 N5 60.42(13) .
O8 K2 N5 119.37(13) .
O9 K2 N5 119.93(13) .
O11 K2 N6 119.98(12) .
O10 K2 N6 119.02(13) .
O12 K2 N6 59.88(12) .
O7 K2 N6 119.54(13) .
O8 K2 N6 60.40(12) .
O9 K2 N6 59.19(11) .
N5 K2 N6 178.84(14) .
C46 N5 C58 111.2(5) .
C46 N5 C57 109.6(5) .
C58 N5 C57 110.0(5) .
C46 N5 K2 108.2(3) .
C58 N5 K2 108.6(3) .
C57 N5 K2 109.2(4) .
C63 N6 C51 109.2(5) .
C63 N6 C52 111.4(5) .
C51 N6 C52 110.3(5) .
C63 N6 K2 107.6(3) .
C51 N6 K2 108.2(3) .
C52 N6 K2 110.0(3) .
C47 O7 C48 111.3(5) .
C47 O7 K2 118.2(3) .
C48 O7 K2 113.3(3) .
C49 O8 C50 111.2(5) .
C49 O8 K2 114.0(3) .
C50 O8 K2 112.7(3) .
C53 O9 C54 110.3(4) .
C53 O9 K2 115.8(3) .
C54 O9 K2 113.5(3) .
C56 O10 C55 110.7(4) .
C56 O10 K2 119.4(3) .
C55 O10 K2 113.9(3) .
C60 O11 C59 111.4(4) .
C60 O11 K2 113.5(3) .
C59 O11 K2 114.3(3) .
C62 O12 C61 109.8(4) .
C62 O12 K2 120.3(3) .
C61 O12 K2 113.8(3) .
N5 C46 C47 115.1(5) .
N5 C46 H46A 108.5 .
C47 C46 H46A 108.5 .
N5 C46 H46B 108.5 .
C47 C46 H46B 108.5 .
H46A C46 H46B 107.5 .
O7 C47 C46 108.2(5) .
O7 C47 H47A 110.1 .
C46 C47 H47A 110.1 .
O7 C47 H47B 110.1 .
C46 C47 H47B 110.1 .
H47A C47 H47B 108.4 .
O7 C48 C49 108.3(6) .
O7 C48 H48A 110.0 .
C49 C48 H48A 110.0 .
O7 C48 H48B 110.0 .
C49 C48 H48B 110.0 .
H48A C48 H48B 108.4 .
O8 C49 C48 108.8(6) .
O8 C49 H49A 109.9 .
C48 C49 H49A 109.9 .
O8 C49 H49B 109.9 .
C48 C49 H49B 109.9 .
H49A C49 H49B 108.3 .
O8 C50 C51 109.3(5) .
O8 C50 H50A 109.8 .
C51 C50 H50A 109.8 .
O8 C50 H50B 109.8 .
C51 C50 H50B 109.8 .
H50A C50 H50B 108.3 .
N6 C51 C50 114.2(5) .
N6 C51 H51A 108.7 .
C50 C51 H51A 108.7 .
N6 C51 H51B 108.7 .
C50 C51 H51B 108.7 .
H51A C51 H51B 107.6 .
N6 C52 C53 113.5(5) .
N6 C52 H52A 108.9 .
C53 C52 H52A 108.9 .
N6 C52 H52B 108.9 .
C53 C52 H52B 108.9 .
H52A C52 H52B 107.7 .
O9 C53 C52 109.6(5) .
O9 C53 H53A 109.8 .
C52 C53 H53A 109.8 .
O9 C53 H53B 109.8 .
C52 C53 H53B 109.8 .
H53A C53 H53B 108.2 .
O9 C54 C55 109.2(5) .
O9 C54 H54A 109.8 .
C55 C54 H54A 109.8 .
O9 C54 H54B 109.8 .
C55 C54 H54B 109.8 .
H54A C54 H54B 108.3 .
O10 C55 C54 109.5(5) .
O10 C55 H55A 109.8 .
C54 C55 H55A 109.8 .
O10 C55 H55B 109.8 .
C54 C55 H55B 109.8 .
H55A C55 H55B 108.2 .
O10 C56 C57 109.7(5) .
O10 C56 H56A 109.7 .
C57 C56 H56A 109.7 .
O10 C56 H56B 109.7 .
C57 C56 H56B 109.7 .
H56A C56 H56B 108.2 .
N5 C57 C56 113.0(5) .
N5 C57 H57A 109.0 .
C56 C57 H57A 109.0 .
N5 C57 H57B 109.0 .
C56 C57 H57B 109.0 .
H57A C57 H57B 107.8 .
N5 C58 C59 113.2(5) .
N5 C58 H58A 108.9 .
C59 C58 H58A 108.9 .
N5 C58 H58B 108.9 .
C59 C58 H58B 108.9 .
H58A C58 H58B 107.8 .
O11 C59 C58 109.4(5) .
O11 C59 H59A 109.8 .
C58 C59 H59A 109.8 .
O11 C59 H59B 109.8 .
C58 C59 H59B 109.8 .
H59A C59 H59B 108.2 .
O11 C60 C61 110.7(5) .
O11 C60 H60A 109.5 .
C61 C60 H60A 109.5 .
O11 C60 H60B 109.5 .
C61 C60 H60B 109.5 .
H60A C60 H60B 108.1 .
O12 C61 C60 107.3(4) .
O12 C61 H61A 110.3 .
C60 C61 H61A 110.3 .
O12 C61 H61B 110.3 .
C60 C61 H61B 110.3 .
H61A C61 H61B 108.5 .
O12 C62 C63 108.3(5) .
O12 C62 H62A 110.0 .
C63 C62 H62A 110.0 .
O12 C62 H62B 110.0 .
C63 C62 H62B 110.0 .
H62A C62 H62B 108.4 .
N6 C63 C62 114.2(5) .
N6 C63 H63A 108.7 .
C62 C63 H63A 108.7 .
N6 C63 H63B 108.7 .
C62 C63 H63B 108.7 .
H63A C63 H63B 107.6 .
O15 K3 O17 131.59(11) .
O15 K3 O18 93.83(12) .
O17 K3 O18 59.61(11) .
O15 K3 O13 120.23(12) .
O17 K3 O13 102.23(12) .
O18 K3 O13 141.18(12) .
O15 K3 O16 60.86(11) .
O17 K3 O16 94.13(11) .
O18 K3 O16 117.23(11) .
O13 K3 O16 96.77(12) .
O15 K3 O14 96.55(11) .
O17 K3 O14 126.28(12) .
O18 K3 O14 101.57(11) .
O13 K3 O14 59.52(11) .
O16 K3 O14 135.02(12) .
O15 K3 N7 120.19(12) .
O17 K3 N7 60.94(12) .
O18 K3 N7 119.99(12) .
O13 K3 N7 60.47(12) .
O16 K3 N7 59.94(12) .
O14 K3 N7 119.40(12) .
O15 K3 N8 59.39(12) .
O17 K3 N8 119.59(12) .
O18 K3 N8 60.51(12) .
O13 K3 N8 119.34(12) .
O16 K3 N8 119.69(12) .
O14 K3 N8 60.49(11) .
N7 K3 N8 179.45(13) .
O15 K3 N9 149.4(2) .
O17 K3 N9 63.42(10) .
O18 K3 N9 70.60(17) .
O13 K3 N9 70.58(17) .
O16 K3 N9 149.6(2) .
O14 K3 N9 62.85(10) .
N7 K3 N9 90.3(2) .
N8 K3 N9 90.1(2) .
C64 N7 C76 109.7(5) .
C64 N7 C75 109.8(5) .
C76 N7 C75 109.9(4) .
C64 N7 K3 109.8(3) .
C76 N7 K3 107.8(3) .
C75 N7 K3 109.9(3) .
C70 N8 C81 109.7(5) .
C70 N8 C69 109.6(4) .
C81 N8 C69 111.0(4) .
C70 N8 K3 110.2(3) .
C81 N8 K3 108.6(3) .
C69 N8 K3 107.7(3) .
C65 O13 C66 111.7(4) .
C65 O13 K3 114.6(3) .
C66 O13 K3 115.8(3) .
C68 O14 C67 112.6(4) .
C68 O14 K3 116.1(3) .
C67 O14 K3 113.2(3) .
C71 O15 C72 111.2(4) .
C71 O15 K3 119.5(3) .
C72 O15 K3 114.7(3) .
C74 O16 C73 111.9(4) .
C74 O16 K3 115.7(3) .
C73 O16 K3 111.7(3) .
C78 O17 C77 110.8(4) .
C78 O17 K3 115.1(3) .
C77 O17 K3 117.6(3) .
C79 O18 C80 111.4(4) .
C79 O18 K3 115.3(3) .
C80 O18 K3 113.6(3) .
N7 C64 C65 114.3(5) .
N7 C64 H64A 108.7 .
C65 C64 H64A 108.7 .
N7 C64 H64B 108.7 .
C65 C64 H64B 108.7 .
H64A C64 H64B 107.6 .
O13 C65 C64 110.8(5) .
O13 C65 H65A 109.5 .
C64 C65 H65A 109.5 .
O13 C65 H65B 109.5 .
C64 C65 H65B 109.5 .
H65A C65 H65B 108.1 .
O13 C66 C67 109.5(5) .
O13 C66 H66A 109.8 .
C67 C66 H66A 109.8 .
O13 C66 H66B 109.8 .
C67 C66 H66B 109.8 .
H66A C66 H66B 108.2 .
O14 C67 C66 110.9(5) .
O14 C67 H67A 109.5 .
C66 C67 H67A 109.5 .
O14 C67 H67B 109.5 .
C66 C67 H67B 109.5 .
H67A C67 H67B 108.1 .
O14 C68 C69 110.8(5) .
O14 C68 H68A 109.5 .
C69 C68 H68A 109.5 .
O14 C68 H68B 109.5 .
C69 C68 H68B 109.5 .
H68A C68 H68B 108.1 .
N8 C69 C68 115.0(5) .
N8 C69 H69A 108.5 .
C68 C69 H69A 108.5 .
N8 C69 H69B 108.5 .
C68 C69 H69B 108.5 .
H69A C69 H69B 107.5 .
N8 C70 C71 113.9(5) .
N8 C70 H70A 108.8 .
C71 C70 H70A 108.8 .
N8 C70 H70B 108.8 .
C71 C70 H70B 108.8 .
H70A C70 H70B 107.7 .
O15 C71 C70 109.1(5) .
O15 C71 H71A 109.9 .
C70 C71 H71A 109.9 .
O15 C71 H71B 109.9 .
C70 C71 H71B 109.9 .
H71A C71 H71B 108.3 .
O15 C72 C73 109.3(5) .
O15 C72 H72A 109.8 .
C73 C72 H72A 109.8 .
O15 C72 H72B 109.8 .
C73 C72 H72B 109.8 .
H72A C72 H72B 108.3 .
O16 C73 C72 109.8(5) .
O16 C73 H73A 109.7 .
C72 C73 H73A 109.7 .
O16 C73 H73B 109.7 .
C72 C73 H73B 109.7 .
H73A C73 H73B 108.2 .
O16 C74 C75 110.2(5) .
O16 C74 H74A 109.6 .
C75 C74 H74A 109.6 .
O16 C74 H74B 109.6 .
C75 C74 H74B 109.6 .
H74A C74 H74B 108.1 .
N7 C75 C74 114.0(5) .
N7 C75 H75A 108.7 .
C74 C75 H75A 108.7 .
N7 C75 H75B 108.7 .
C74 C75 H75B 108.7 .
H75A C75 H75B 107.6 .
N7 C76 C77 114.1(5) .
N7 C76 H76A 108.7 .
C77 C76 H76A 108.7 .
N7 C76 H76B 108.7 .
C77 C76 H76B 108.7 .
H76A C76 H76B 107.6 .
O17 C77 C76 109.6(5) .
O17 C77 H77A 109.7 .
C76 C77 H77A 109.7 .
O17 C77 H77B 109.7 .
C76 C77 H77B 109.7 .
H77A C77 H77B 108.2 .
O17 C78 C79 108.3(5) .
O17 C78 H78A 110.0 .
C79 C78 H78A 110.0 .
O17 C78 H78B 110.0 .
C79 C78 H78B 110.0 .
H78A C78 H78B 108.4 .
O18 C79 C78 109.4(5) .
O18 C79 H79A 109.8 .
C78 C79 H79A 109.8 .
O18 C79 H79B 109.8 .
C78 C79 H79B 109.8 .
H79A C79 H79B 108.2 .
O18 C80 C81 108.5(5) .
O18 C80 H80A 110.0 .
C81 C80 H80A 110.0 .
O18 C80 H80B 110.0 .
C81 C80 H80B 110.0 .
H80A C80 H80B 108.4 .
N8 C81 C80 114.4(5) .
N8 C81 H81A 108.7 .
C80 C81 H81A 108.7 .
N8 C81 H81B 108.7 .
C80 C81 H81B 108.7 .
H81A C81 H81B 107.6 .
K3 N9 K3 177.7(4) 2
K3 N9 H9D 72.6 2
K3 N9 H9D 109.6 .
K3 N9 H9E 69.9 2
K3 N9 H9E 109.4 .
H9D N9 H9E 109.5 .
K3 N9 H9F 69.2 2
K3 N9 H9F 109.4 .
H9D N9 H9F 109.5 .
H9E N9 H9F 109.5 .
H10A N10 H10B 109.5 .
H10A N10 H10C 109.5 .
H10B N10 H10C 109.5 .
H11D N11 H11E 109.5 .
H11D N11 H11F 109.5 .
H11E N11 H11F 109.5 .
H12D N12 H12E 109.5 .
H12D N12 H12F 109.5 .
H12E N12 H12F 109.5 .
H13A N13 H13B 109.5 .
H13A N13 H13C 109.5 .
H13B N13 H13C 109.5 .
H14D N14 H14E 109.5 .
H14D N14 H14F 109.5 .
H14E N14 H14F 109.5 .
H15D N15 H15E 109.5 .
H15D N15 H15F 109.5 .
H15E N15 H15F 109.5 .
H16A N16 H16B 109.5 .
H16A N16 H16C 109.5 .
H16B N16 H16C 109.5 .
H17A N17 H17B 109.5 .
H17A N17 H17C 109.5 .
H17B N17 H17C 109.5 .
H18A N18 H18B 109.5 .
H18A N18 H18C 109.5 .
H18B N18 H18C 109.5 .
H19A N19 H19B 109.5 .
H19A N19 H19C 109.5 .
H19B N19 H19C 109.5 .
H20A N20 H20B 109.5 .
H20A N20 H20C 109.5 .
H20B N20 H20C 109.5 .
H21A N21 H21B 109.5 .
H21A N21 H21C 109.5 .
H21B N21 H21C 109.5 .
H22A N22 H22B 109.5 .
H22A N22 H22C 109.5 .
H22B N22 H22C 109.5 .
H23D N23 H23E 109.5 .
H23D N23 H23F 109.5 .
H23E N23 H23F 109.5 .
H24D N24 H24E 109.5 .
H24D N24 H24F 109.5 .
H24E N24 H24F 109.5 .
H25A N25 H25B 109.5 .
H25A N25 H25C 109.5 .
H25B N25 H25C 109.5 .
H26D N26 H26E 109.5 .
H26D N26 H26F 109.5 .
H26E N26 H26F 109.5 .
H27D N27 H27E 109.5 .
H27D N27 H27F 109.5 .
H27E N27 H27F 109.5 .
H28C N28 H28D 109.5 .
H28C N28 H28E 109.5 .
H28D N28 H28E 109.5 .
H29C N29 H29D 109.5 .
H29C N29 H29E 109.5 .
H29D N29 H29E 109.5 .
H30C N30 H30D 109.5 .
H30C N30 H30E 109.5 .
H30D N30 H30E 109.5 .
H31C N31 H31D 109.5 .
H31C N31 H31E 109.5 .
H31D N31 H31E 109.5 .
H32C N32 H32D 109.5 .
H32C N32 H32E 109.5 .
H32D N32 H32E 109.5 .
N33 N33 H33C 22.9 2
N33 N33 H33D 128.2 2
H33C N33 H33D 109.5 .
N33 N33 H33E 108.6 2
H33C N33 H33E 109.5 .
H33D N33 H33E 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 Sn2 2.9428(5) .
Sn1 Sn3 2.9540(6) .
Sn1 Sn4 2.9564(6) .
Sn1 Sn5 2.9261(6) .
Sn2 Sn3 3.1681(6) .
Sn3 Sn4 3.1923(6) .
Sn4 Sn5 3.1792(6) .
Sn2 Sn5 3.2737(5) .
Sn2 Sn6 2.9210(6) .
Sn2 Sn7 2.9500(5) .
Sn3 Sn7 2.9664(5) .
Sn3 Sn8 2.9672(6) .
Sn4 Sn8 2.9592(5) .
Sn4 Sn9 2.9637(6) .
Sn5 Sn9 2.9294(6) .
Sn5 Sn6 2.9700(5) .
Sn6 Sn7 3.1005(5) .
Sn7 Sn8 3.0849(5) .
Sn8 Sn9 3.1189(6) .
Sn6 Sn9 3.1029(5) .
Sn6 Sn8 4.3734(5) .
Sn7 Sn9 4.3996(5) .
Sn6 Ag 2.8527(6) .
Sn7 Ag 2.8698(6) .
Sn8 Ag 2.8670(6) .
Sn9 Ag 2.8419(5) .
Ag C1 2.181(5) .
N1 C1 1.361(6) .
N1 C3 1.370(6) .
N1 C4 1.461(6) .
C1 N2 1.363(6) .
N2 C2 1.395(6) .
N2 C16 1.441(6) .
C2 C3 1.341(7) .
C2 H2 0.9500 .
C3 H3 0.9500 .
C4 C5 1.387(7) .
C4 C9 1.411(7) .
C5 C6 1.381(7) .
C5 C10 1.540(7) .
C6 C7 1.376(8) .
C6 H6 0.9500 .
C7 C8 1.363(8) .
C7 H7 0.9500 .
C8 C9 1.392(7) .
C8 H8 0.9500 .
C9 C13 1.495(7) .
C10 C11 1.506(7) .
C10 C12 1.515(7) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.512(7) .
C13 C15 1.525(7) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.373(7) .
C16 C21 1.403(7) .
C17 C18 1.409(7) .
C17 C22 1.516(7) .
C18 C19 1.359(8) .
C18 H18 0.9500 .
C19 C20 1.386(7) .
C19 H19 0.9500 .
C20 C21 1.380(7) .
C20 H20 0.9500 .
C21 C25 1.520(7) .
C22 C24 1.497(8) .
C22 C23 1.524(8) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.525(7) .
C25 C27 1.528(7) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
K1 O5 2.777(4) .
K1 O3 2.819(4) .
K1 O4 2.824(4) .
K1 O2 2.867(4) .
K1 O6 2.879(4) .
K1 O1 2.897(4) .
K1 N3 3.026(5) .
K1 N4 3.030(5) .
N3 C28 1.459(7) .
N3 C40 1.459(7) .
N3 C39 1.485(7) .
N4 C33 1.467(6) .
N4 C45 1.478(7) .
N4 C34 1.481(6) .
O1 C30 1.419(6) .
O1 C29 1.419(7) .
O2 C32 1.422(6) .
O2 C31 1.436(6) .
O3 C35 1.428(6) .
O3 C36 1.430(6) .
O4 C38 1.426(6) .
O4 C37 1.432(6) .
O5 C41 1.411(7) .
O5 C42 1.414(6) .
O6 C44 1.418(7) .
O6 C43 1.431(6) .
C28 C29 1.513(8) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.473(8) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.491(7) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.503(7) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C37 1.483(7) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 C39 1.503(8) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.486(8) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 C43 1.503(8) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 C45 1.488(8) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
K2 O11 2.805(4) .
K2 O10 2.810(4) .
K2 O12 2.810(4) .
K2 O7 2.833(4) .
K2 O8 2.859(4) .
K2 O9 2.862(4) .
K2 N5 3.009(5) .
K2 N6 3.060(5) .
N5 C46 1.466(7) .
N5 C58 1.479(7) .
N5 C57 1.481(7) .
N6 C63 1.450(7) .
N6 C51 1.455(7) .
N6 C52 1.473(7) .
O7 C47 1.441(7) .
O7 C48 1.443(7) .
O8 C49 1.418(7) .
O8 C50 1.421(7) .
O9 C53 1.412(6) .
O9 C54 1.439(6) .
O10 C56 1.415(7) .
O10 C55 1.438(7) .
O11 C60 1.415(6) .
O11 C59 1.424(6) .
O12 C62 1.415(6) .
O12 C61 1.439(6) .
C46 C47 1.493(8) .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 C49 1.478(9) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 C51 1.504(8) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 C53 1.487(8) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 C55 1.494(8) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 C57 1.497(8) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C58 C59 1.492(8) .
C58 H58A 0.9900 .
C58 H58B 0.9900 .
C59 H59A 0.9900 .
C59 H59B 0.9900 .
C60 C61 1.498(8) .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C62 C63 1.532(8) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
K3 O15 2.803(4) .
K3 O17 2.818(4) .
K3 O18 2.833(4) .
K3 O13 2.834(4) .
K3 O16 2.855(4) .
K3 O14 2.867(4) .
K3 N7 3.027(5) .
K3 N8 3.030(5) .
K3 N9 3.3122(13) .
N7 C64 1.455(7) .
N7 C76 1.471(7) .
N7 C75 1.471(7) .
N8 C70 1.455(7) .
N8 C81 1.461(7) .
N8 C69 1.478(7) .
O13 C65 1.422(7) .
O13 C66 1.424(6) .
O14 C68 1.396(7) .
O14 C67 1.408(6) .
O15 C71 1.428(6) .
O15 C72 1.428(6) .
O16 C74 1.424(6) .
O16 C73 1.428(6) .
O17 C78 1.421(6) .
O17 C77 1.430(6) .
O18 C79 1.427(6) .
O18 C80 1.431(6) .
C64 C65 1.494(8) .
C64 H64A 0.9900 .
C64 H64B 0.9900 .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 C67 1.470(8) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 H67A 0.9900 .
C67 H67B 0.9900 .
C68 C69 1.484(8) .
C68 H68A 0.9900 .
C68 H68B 0.9900 .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C70 C71 1.496(7) .
C70 H70A 0.9900 .
C70 H70B 0.9900 .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 C73 1.492(8) .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C73 H73A 0.9900 .
C73 H73B 0.9900 .
C74 C75 1.481(8) .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
C75 H75A 0.9900 .
C75 H75B 0.9900 .
C76 C77 1.512(8) .
C76 H76A 0.9900 .
C76 H76B 0.9900 .
C77 H77A 0.9900 .
C77 H77B 0.9900 .
C78 C79 1.491(8) .
C78 H78A 0.9900 .
C78 H78B 0.9900 .
C79 H79A 0.9900 .
C79 H79B 0.9900 .
C80 C81 1.494(7) .
C80 H80A 0.9900 .
C80 H80B 0.9900 .
C81 H81A 0.9900 .
C81 H81B 0.9900 .
N9 K3 3.3122(12) 2
N9 H9D 0.9100 .
N9 H9E 0.9100 .
N9 H9F 0.9100 .
N10 H10A 0.9100 .
N10 H10B 0.9100 .
N10 H10C 0.9100 .
N11 H11D 0.9100 .
N11 H11E 0.9100 .
N11 H11F 0.9100 .
N12 H12D 0.9100 .
N12 H12E 0.9099 .
N12 H12F 0.9100 .
N13 H13A 0.9100 .
N13 H13B 0.9099 .
N13 H13C 0.9100 .
N14 H14D 0.9100 .
N14 H14E 0.9100 .
N14 H14F 0.9100 .
N15 H15D 0.9100 .
N15 H15E 0.9100 .
N15 H15F 0.9100 .
N16 H16A 0.9100 .
N16 H16B 0.9100 .
N16 H16C 0.9100 .
N17 H17A 0.9100 .
N17 H17B 0.9100 .
N17 H17C 0.9100 .
N18 H18A 0.9100 .
N18 H18B 0.9100 .
N18 H18C 0.9100 .
N19 H19A 0.9100 .
N19 H19B 0.9100 .
N19 H19C 0.9100 .
N20 H20A 0.9100 .
N20 H20B 0.9100 .
N20 H20C 0.9100 .
N21 H21A 0.9100 .
N21 H21B 0.9100 .
N21 H21C 0.9100 .
N22 H22A 0.9100 .
N22 H22B 0.9100 .
N22 H22C 0.9100 .
N23 H23D 0.9100 .
N23 H23E 0.9100 .
N23 H23F 0.9100 .
N24 H24D 0.9100 .
N24 H24E 0.9100 .
N24 H24F 0.9100 .
N25 H25A 0.9100 .
N25 H25B 0.9100 .
N25 H25C 0.9100 .
N26 H26D 0.9100 .
N26 H26E 0.9100 .
N26 H26F 0.9099 .
N27 H27D 0.9100 .
N27 H27E 0.9100 .
N27 H27F 0.9100 .
N28 H28C 0.9100 .
N28 H28D 0.9100 .
N28 H28E 0.9100 .
N29 H29C 0.9100 .
N29 H29D 0.9100 .
N29 H29E 0.9100 .
N30 H30C 0.9100 .
N30 H30D 0.9100 .
N30 H30E 0.9100 .
N31 H31C 0.9100 .
N31 H31D 0.9100 .
N31 H31E 0.9100 .
N32 H32C 0.9100 .
N32 H32D 0.9100 .
N32 H32E 0.9100 .
N33 N33 1.56(3) 2
N33 H33C 0.9100 .
N33 H33D 0.9100 .
N33 H33E 0.9100 .
