#------------------------------------------------------------------------------
#$Date: 2019-12-09 12:22:17 +0200 (Mon, 09 Dec 2019) $
#$Revision: 244959 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/64/1556476.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_1556476
loop_
_publ_author_name
'Zeckert, K.'
_publ_section_title
;
 Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and
 Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate
;
_journal_name_full               Inorganics
_journal_page_first              19
_journal_paper_doi               10.3390/inorganics4020019
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C81 H108 Li N9 O9 Sn4'
_chemical_formula_sum            'C81 H108 Li N9 O9 Sn4'
_chemical_formula_weight         1833.46
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                103.329(4)
_cell_angle_beta                 101.969(4)
_cell_angle_gamma                118.018(5)
_cell_formula_units_Z            2
_cell_length_a                   16.2901(9)
_cell_length_b                   17.2775(8)
_cell_length_c                   19.5167(8)
_cell_measurement_reflns_used    6448
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.019
_cell_measurement_theta_min      3.04
_cell_volume                     4388.4(5)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
        (compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
        (compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
        (compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
 	SHELXS-97
 	Program for Crystal Structure Analysis (Release 97-2)
 	G. M. Sheldrick, Institut für Anorganische Chemie der Universität,
 	Tammanstrasse 4, D-3400 Göttingen, Germany, 1998.
;
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0314465
_diffrn_orient_matrix_UB_12      -0.0313736
_diffrn_orient_matrix_UB_13      0.0143375
_diffrn_orient_matrix_UB_21      0.0426996
_diffrn_orient_matrix_UB_22      0.0122151
_diffrn_orient_matrix_UB_23      0.0297333
_diffrn_orient_matrix_UB_31      -0.0015418
_diffrn_orient_matrix_UB_32      0.0373328
_diffrn_orient_matrix_UB_33      0.0228744
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.062
_diffrn_reflns_av_unetI/netI     0.1068
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            31672
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.84
_exptl_absorpt_coefficient_mu    1.181
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.93706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
        (compiled Feb  1 2013,16:14:44)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.112
_refine_diff_density_min         -0.917
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     954
_refine_ls_number_reflns         16052
_refine_ls_number_restraints     91
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_gt           0.0574
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0366P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0993
_refine_ls_wR_factor_ref         0.1172
_reflns_number_gt                10131
_reflns_number_total             16052
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            x1950.cif
_cod_data_source_block           x1950
_cod_original_cell_volume        4388.4(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1556476
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.2774(6) 0.1154(5) 0.6944(4) 0.050(2) Uani 1 1 d . . .
C2 C -0.2504(7) 0.2084(5) 0.7133(4) 0.063(2) Uani 1 1 d . . .
H2 H -0.1834 0.2574 0.7246 0.075 Uiso 1 1 calc R . .
C3 C -0.3221(9) 0.2293(7) 0.7157(6) 0.090(3) Uani 1 1 d . . .
H3 H -0.3048 0.2928 0.7283 0.108 Uiso 1 1 calc R . .
C4 C -0.4170(9) 0.1588(7) 0.7000(6) 0.098(4) Uani 1 1 d . . .
H4 H -0.4669 0.1721 0.7025 0.118 Uiso 1 1 calc R . .
C5 C -0.4396(7) 0.0679(6) 0.6803(5) 0.065(2) Uani 1 1 d D A .
C6 C -0.6162(14) -0.0423(15) 0.6017(10) 0.090(6) Uani 0.431(13) 1 d PDU A 1
C7 C -0.704(2) -0.1337(19) 0.595(2) 0.098(5) Uani 0.431(13) 1 d PDU A 1
H7A H -0.6837 -0.1786 0.5971 0.147 Uiso 0.431(13) 1 calc PR A 1
H7B H -0.7582 -0.1604 0.5462 0.147 Uiso 0.431(13) 1 calc PR A 1
H7C H -0.7268 -0.1219 0.6362 0.147 Uiso 0.431(13) 1 calc PR A 1
C8 C -0.6510(18) 0.0232(16) 0.5944(16) 0.098(5) Uani 0.431(13) 1 d PDU A 1
H8A H -0.6759 0.0347 0.6348 0.147 Uiso 0.431(13) 1 calc PR A 1
H8B H -0.7048 -0.0059 0.5451 0.147 Uiso 0.431(13) 1 calc PR A 1
H8C H -0.595 0.0835 0.5987 0.147 Uiso 0.431(13) 1 calc PR A 1
C9 C -0.5815(18) -0.0620(17) 0.5365(13) 0.098(5) Uani 0.431(13) 1 d PDU A 1
H9A H -0.5412 -0.0028 0.5299 0.147 Uiso 0.431(13) 1 calc PR A 1
H9B H -0.6398 -0.1075 0.4899 0.147 Uiso 0.431(13) 1 calc PR A 1
H9C H -0.5411 -0.0884 0.5481 0.147 Uiso 0.431(13) 1 calc PR A 1
C6F C -0.6226(11) -0.0343(13) 0.6146(9) 0.081(5) Uani 0.569(13) 1 d PDU A 2
C7F C -0.6903(19) -0.1362(15) 0.6019(18) 0.098(4) Uani 0.569(13) 1 d PDU A 2
H7F1 H -0.6623 -0.1721 0.5828 0.147 Uiso 0.569(13) 1 calc PR A 2
H7F2 H -0.7564 -0.1619 0.5647 0.147 Uiso 0.569(13) 1 calc PR A 2
H7F3 H -0.6966 -0.1414 0.6498 0.147 Uiso 0.569(13) 1 calc PR A 2
C8F C -0.6556(14) 0.0233(12) 0.6570(11) 0.098(4) Uani 0.569(13) 1 d PDU A 2
H8F1 H -0.6404 0.0266 0.7092 0.147 Uiso 0.569(13) 1 calc PR A 2
H8F2 H -0.7277 -0.0067 0.6322 0.147 Uiso 0.569(13) 1 calc PR A 2
H8F3 H -0.6201 0.0874 0.657 0.147 Uiso 0.569(13) 1 calc PR A 2
C9F C -0.6207(15) -0.0219(13) 0.5410(10) 0.098(4) Uani 0.569(13) 1 d PDU A 2
H9F1 H -0.5696 0.0438 0.5514 0.147 Uiso 0.569(13) 1 calc PR A 2
H9F2 H -0.6862 -0.037 0.511 0.147 Uiso 0.569(13) 1 calc PR A 2
H9F3 H -0.605 -0.0646 0.5127 0.147 Uiso 0.569(13) 1 calc PR A 2
C10 C -0.2553(6) -0.0495(4) 0.5875(4) 0.0429(18) Uani 1 1 d . . .
C11 C -0.2124(6) -0.0710(5) 0.5383(4) 0.056(2) Uani 1 1 d . . .
H11 H -0.1438 -0.0293 0.5472 0.067 Uiso 1 1 calc R . .
C12 C -0.2731(7) -0.1561(5) 0.4751(4) 0.062(3) Uani 1 1 d . . .
H12 H -0.2457 -0.1728 0.4402 0.075 Uiso 1 1 calc R . .
C13 C -0.3707(7) -0.2150(5) 0.4632(4) 0.071(3) Uani 1 1 d . . .
H13 H -0.4125 -0.2722 0.4196 0.085 Uiso 1 1 calc R . .
C14 C -0.4081(7) -0.1904(5) 0.5154(4) 0.057(2) Uani 1 1 d . . .
C15 C -0.5695(7) -0.3355(5) 0.4769(5) 0.071(3) Uani 1 1 d . . .
C16 C -0.6116(8) -0.3650(6) 0.3906(5) 0.122(4) Uani 1 1 d . . .
H16A H -0.5587 -0.3261 0.3744 0.184 Uiso 1 1 calc R . .
H16B H -0.6668 -0.3558 0.3768 0.184 Uiso 1 1 calc R . .
H16C H -0.636 -0.4319 0.3655 0.184 Uiso 1 1 calc R . .
C17 C -0.6533(7) -0.3591(6) 0.5067(6) 0.099(4) Uani 1 1 d . . .
H17A H -0.6251 -0.3239 0.5616 0.149 Uiso 1 1 calc R . .
H17B H -0.6921 -0.4273 0.4957 0.149 Uiso 1 1 calc R . .
H17C H -0.697 -0.3414 0.4822 0.149 Uiso 1 1 calc R . .
C18 C -0.5169(8) -0.3854(6) 0.4978(6) 0.101(4) Uani 1 1 d . . .
H18A H -0.4703 -0.3781 0.4715 0.151 Uiso 1 1 calc R . .
H18B H -0.5669 -0.453 0.4828 0.151 Uiso 1 1 calc R . .
H18C H -0.4801 -0.3571 0.5527 0.151 Uiso 1 1 calc R . .
C19 C -0.2067(6) -0.0111(5) 0.7625(4) 0.0396(17) Uani 1 1 d . . .
C20 C -0.1349(6) -0.0100(5) 0.8148(4) 0.053(2) Uani 1 1 d . . .
H20 H -0.0662 0.0342 0.826 0.064 Uiso 1 1 calc R . .
C21 C -0.1623(6) -0.0734(6) 0.8514(4) 0.057(2) Uani 1 1 d . . .
H21 H -0.1129 -0.0745 0.8862 0.068 Uiso 1 1 calc R . .
C22 C -0.2608(7) -0.1334(5) 0.8363(4) 0.054(2) Uani 1 1 d . . .
H22 H -0.2821 -0.1775 0.8601 0.065 Uiso 1 1 calc R . .
C23 C -0.3300(6) -0.1287(5) 0.7850(5) 0.049(2) Uani 1 1 d . B .
C24 C -0.4840(10) -0.1802(10) 0.8116(8) 0.098(4) Uani 0.69(3) 1 d PDU B 1
C25 C -0.4683(13) -0.2210(14) 0.8702(10) 0.098(4) Uani 0.69(3) 1 d PDU B 1
H25A H -0.4797 -0.2832 0.8453 0.147 Uiso 0.69(3) 1 calc PR B 1
H25B H -0.5154 -0.2278 0.8961 0.147 Uiso 0.69(3) 1 calc PR B 1
H25C H -0.3997 -0.1783 0.9072 0.147 Uiso 0.69(3) 1 calc PR B 1
C26 C -0.5919(10) -0.2411(10) 0.7553(11) 0.098(4) Uani 0.69(3) 1 d PDU B 1
H26A H -0.5962 -0.222 0.7118 0.147 Uiso 0.69(3) 1 calc PR B 1
H26B H -0.6353 -0.2325 0.7799 0.147 Uiso 0.69(3) 1 calc PR B 1
H26C H -0.6135 -0.3079 0.7379 0.147 Uiso 0.69(3) 1 calc PR B 1
C27 C -0.4513(13) -0.0785(9) 0.8498(10) 0.098(4) Uani 0.69(3) 1 d PDU B 1
H27A H -0.3861 -0.0446 0.8909 0.147 Uiso 0.69(3) 1 calc PR B 1
H27B H -0.5006 -0.0768 0.8706 0.147 Uiso 0.69(3) 1 calc PR B 1
H27C H -0.4461 -0.0483 0.8128 0.147 Uiso 0.69(3) 1 calc PR B 1
C24F C -0.475(2) -0.1720(17) 0.8183(15) 0.098(10) Uani 0.31(3) 1 d PDU B 2
C25F C -0.425(3) -0.159(3) 0.8997(18) 0.098(10) Uani 0.31(3) 1 d PDU B 2
H25D H -0.3975 -0.1981 0.899 0.147 Uiso 0.31(3) 1 calc PR B 2
H25E H -0.4754 -0.1775 0.9235 0.147 Uiso 0.31(3) 1 calc PR B 2
H25F H -0.3717 -0.092 0.9286 0.147 Uiso 0.31(3) 1 calc PR B 2
C26F C -0.585(2) -0.2473(17) 0.799(2) 0.098(10) Uani 0.31(3) 1 d PDU B 2
H26D H -0.6094 -0.2996 0.7512 0.147 Uiso 0.31(3) 1 calc PR B 2
H26E H -0.6248 -0.219 0.7932 0.147 Uiso 0.31(3) 1 calc PR B 2
H26F H -0.5915 -0.2713 0.8395 0.147 Uiso 0.31(3) 1 calc PR B 2
C27F C -0.459(3) -0.076(2) 0.822(2) 0.098(10) Uani 0.31(3) 1 d PDU B 2
H27D H -0.3886 -0.0257 0.8505 0.147 Uiso 0.31(3) 1 calc PR B 2
H27E H -0.5001 -0.0636 0.848 0.147 Uiso 0.31(3) 1 calc PR B 2
H27F H -0.4792 -0.0771 0.7709 0.147 Uiso 0.31(3) 1 calc PR B 2
C28 C 0.0259(5) 0.2867(4) 0.9320(3) 0.0300(15) Uani 1 1 d . . .
C29 C -0.0706(5) 0.2255(4) 0.9262(4) 0.0391(17) Uani 1 1 d . . .
H29 H -0.1264 0.2048 0.883 0.047 Uiso 1 1 calc R . .
C30 C -0.0835(5) 0.1953(4) 0.9852(4) 0.0405(17) Uani 1 1 d . . .
H30 H -0.1491 0.1525 0.9822 0.049 Uiso 1 1 calc R . .
C31 C -0.0034(6) 0.2263(4) 1.0473(4) 0.0411(18) Uani 1 1 d . . .
H31 H -0.0116 0.2064 1.0883 0.049 Uiso 1 1 calc R . .
C32 C 0.0910(5) 0.2882(4) 1.0487(4) 0.0330(16) Uani 1 1 d . . .
C33 C 0.2729(5) 0.3896(4) 1.1230(4) 0.0412(18) Uani 1 1 d . . .
C34 C 0.2833(6) 0.4800(4) 1.1200(4) 0.059(2) Uani 1 1 d . . .
H34A H 0.2417 0.4673 1.0695 0.089 Uiso 1 1 calc R . .
H34B H 0.3534 0.527 1.1304 0.089 Uiso 1 1 calc R . .
H34C H 0.2616 0.5046 1.158 0.089 Uiso 1 1 calc R . .
C35 C 0.3087(6) 0.3504(5) 1.0664(4) 0.057(2) Uani 1 1 d . . .
H35A H 0.2981 0.2902 1.0679 0.086 Uiso 1 1 calc R . .
H35B H 0.3801 0.3958 1.0793 0.086 Uiso 1 1 calc R . .
H35C H 0.271 0.34 1.0154 0.086 Uiso 1 1 calc R . .
C36 C 0.3294(6) 0.4050(5) 1.2021(4) 0.058(2) Uani 1 1 d . . .
H36A H 0.3024 0.426 1.2375 0.087 Uiso 1 1 calc R . .
H36B H 0.4004 0.4536 1.2173 0.087 Uiso 1 1 calc R . .
H36C H 0.3219 0.3455 1.2027 0.087 Uiso 1 1 calc R . .
C37 C 0.2241(5) 0.4350(4) 0.8996(3) 0.0352(17) Uani 1 1 d . . .
C38 C 0.2948(6) 0.4158(5) 0.8928(4) 0.0423(18) Uani 1 1 d . . .
H38 H 0.2749 0.354 0.8622 0.051 Uiso 1 1 calc R . .
C39 C 0.3948(6) 0.4851(5) 0.9301(4) 0.050(2) Uani 1 1 d . . .
H39 H 0.4438 0.4713 0.9254 0.06 Uiso 1 1 calc R . .
C40 C 0.4231(6) 0.5736(5) 0.9736(4) 0.052(2) Uani 1 1 d . . .
H40 H 0.4915 0.6229 1 0.062 Uiso 1 1 calc R . .
C41 C 0.3467(6) 0.5885(5) 0.9777(4) 0.0463(19) Uani 1 1 d . . .
C42 C 0.3092(7) 0.7083(5) 1.0289(6) 0.066(3) Uani 1 1 d . . .
C43 C 0.2444(7) 0.6571(5) 1.0683(5) 0.070(3) Uani 1 1 d . . .
H43A H 0.1974 0.5903 1.035 0.106 Uiso 1 1 calc R . .
H43B H 0.2072 0.6858 1.0806 0.106 Uiso 1 1 calc R . .
H43C H 0.2865 0.6619 1.115 0.106 Uiso 1 1 calc R . .
C44 C 0.2486(7) 0.6937(6) 0.9529(5) 0.078(3) Uani 1 1 d . . .
H44A H 0.293 0.7211 0.9264 0.117 Uiso 1 1 calc R . .
H44B H 0.2118 0.7246 0.9589 0.117 Uiso 1 1 calc R . .
H44C H 0.2012 0.6256 0.9233 0.117 Uiso 1 1 calc R . .
C45 C 0.3801(7) 0.8129(5) 1.0775(6) 0.111(4) Uani 1 1 d . . .
H45A H 0.4197 0.8209 1.1269 0.166 Uiso 1 1 calc R . .
H45B H 0.3415 0.8418 1.0848 0.166 Uiso 1 1 calc R . .
H45C H 0.4248 0.8439 1.0524 0.166 Uiso 1 1 calc R . .
C46 C 0.0087(5) 0.4252(4) 0.8357(4) 0.0357(16) Uani 1 1 d . . .
C47 C -0.0183(5) 0.4605(4) 0.8919(4) 0.0440(18) Uani 1 1 d . . .
H47 H -0.0157 0.4432 0.9347 0.053 Uiso 1 1 calc R . .
C48 C -0.0491(6) 0.5214(5) 0.8848(4) 0.053(2) Uani 1 1 d . . .
H48 H -0.0672 0.547 0.9231 0.064 Uiso 1 1 calc R . .
C49 C -0.0533(6) 0.5446(5) 0.8223(4) 0.052(2) Uani 1 1 d . . .
H49 H -0.0751 0.5856 0.8158 0.062 Uiso 1 1 calc R . .
C50 C -0.0247(6) 0.5061(5) 0.7684(4) 0.0452(19) Uani 1 1 d . . .
C51 C 0.0093(8) 0.5131(7) 0.6518(5) 0.075(3) Uani 1 1 d U . .
C52 C -0.0083(8) 0.5654(6) 0.6037(5) 0.0972(19) Uani 1 1 d U . .
H52A H -0.0802 0.533 0.5757 0.146 Uiso 1 1 calc R . .
H52B H 0.026 0.5664 0.5678 0.146 Uiso 1 1 calc R . .
H52C H 0.018 0.6305 0.6364 0.146 Uiso 1 1 calc R . .
C53 C -0.0444(8) 0.4102(6) 0.6077(5) 0.0972(19) Uani 1 1 d U . .
H53A H -0.0219 0.381 0.6379 0.146 Uiso 1 1 calc R . .
H53B H -0.0306 0.4 0.561 0.146 Uiso 1 1 calc R . .
H53C H -0.1165 0.3816 0.595 0.146 Uiso 1 1 calc R . .
C54 C 0.1192(9) 0.5545(7) 0.6905(5) 0.0972(19) Uani 1 1 d U . .
H54A H 0.1538 0.6228 0.7183 0.146 Uiso 1 1 calc R . .
H54B H 0.1474 0.5429 0.6524 0.146 Uiso 1 1 calc R . .
H54C H 0.128 0.5244 0.7259 0.146 Uiso 1 1 calc R . .
C55 C 0.2650(5) 0.2149(4) 0.7481(4) 0.0358(17) Uani 1 1 d . . .
C56 C 0.3436(6) 0.2155(5) 0.7920(4) 0.051(2) Uani 1 1 d . . .
H56 H 0.3318 0.1761 0.8204 0.061 Uiso 1 1 calc R . .
C57 C 0.4387(6) 0.2728(5) 0.7946(4) 0.052(2) Uani 1 1 d . . .
H57 H 0.4926 0.2719 0.8235 0.063 Uiso 1 1 calc R . .
C58 C 0.4547(6) 0.3305(5) 0.7558(4) 0.0447(18) Uani 1 1 d . . .
H58 H 0.5197 0.3705 0.7564 0.054 Uiso 1 1 calc R . .
C59 C 0.3747(6) 0.3299(4) 0.7153(4) 0.0359(16) Uani 1 1 d . . .
C60 C 0.3357(6) 0.4301(5) 0.6599(4) 0.050(2) Uani 1 1 d . . .
C61 C 0.3194(7) 0.4694(5) 0.7296(4) 0.066(3) Uani 1 1 d . . .
H61A H 0.2718 0.417 0.7404 0.099 Uiso 1 1 calc R . .
H61B H 0.2927 0.5081 0.721 0.099 Uiso 1 1 calc R . .
H61C H 0.3832 0.5086 0.7728 0.099 Uiso 1 1 calc R . .
C62 C 0.2389(7) 0.3582(5) 0.5935(4) 0.070(2) Uani 1 1 d . . .
H62A H 0.2532 0.3321 0.5507 0.106 Uiso 1 1 calc R . .
H62B H 0.2045 0.389 0.5789 0.106 Uiso 1 1 calc R . .
H62C H 0.1962 0.307 0.6077 0.106 Uiso 1 1 calc R . .
C63 C 0.4035(7) 0.5102(5) 0.6392(5) 0.072(3) Uani 1 1 d . . .
H63A H 0.4671 0.5546 0.682 0.107 Uiso 1 1 calc R . .
H63B H 0.3712 0.5435 0.6269 0.107 Uiso 1 1 calc R . .
H63C H 0.4159 0.4841 0.5952 0.107 Uiso 1 1 calc R . .
C64 C 0.0581(5) -0.0091(4) 0.6529(3) 0.0356(16) Uani 1 1 d . . .
C65 C 0.0931(6) -0.0111(5) 0.5947(4) 0.055(2) Uani 1 1 d . . .
H65 H 0.1372 0.0462 0.5902 0.067 Uiso 1 1 calc R . .
C66 C 0.0628(7) -0.0985(5) 0.5423(4) 0.066(3) Uani 1 1 d . . .
H66 H 0.0883 -0.1015 0.5028 0.08 Uiso 1 1 calc R . .
C67 C -0.0029(6) -0.1782(5) 0.5485(4) 0.050(2) Uani 1 1 d . . .
H67 H -0.025 -0.2386 0.5133 0.061 Uiso 1 1 calc R . .
C68 C -0.0379(5) -0.1709(5) 0.6071(4) 0.0433(18) Uani 1 1 d . . .
C69 C -0.1594(7) -0.2628(5) 0.6595(4) 0.057(2) Uani 1 1 d . . .
C70 C -0.0911(6) -0.2219(5) 0.7418(4) 0.065(2) Uani 1 1 d . . .
H70A H -0.0427 -0.154 0.7571 0.098 Uiso 1 1 calc R . .
H70B H -0.0554 -0.254 0.7474 0.098 Uiso 1 1 calc R . .
H70C H -0.1312 -0.2316 0.7738 0.098 Uiso 1 1 calc R . .
C71 C -0.2203(6) -0.2205(5) 0.6471(5) 0.065(2) Uani 1 1 d . . .
H71A H -0.1763 -0.1512 0.6691 0.097 Uiso 1 1 calc R . .
H71B H -0.2695 -0.2409 0.6715 0.097 Uiso 1 1 calc R . .
H71C H -0.2552 -0.2416 0.5927 0.097 Uiso 1 1 calc R . .
C72 C -0.2272(7) -0.3690(5) 0.6321(5) 0.085(3) Uani 1 1 d . . .
H72A H -0.2773 -0.3851 0.6558 0.128 Uiso 1 1 calc R . .
H72B H -0.1875 -0.3955 0.6456 0.128 Uiso 1 1 calc R . .
H72C H -0.2609 -0.3955 0.5769 0.128 Uiso 1 1 calc R . .
C73 C 0.1350(5) 0.0937(4) 0.8400(4) 0.0353(16) Uani 1 1 d . . .
C74 C 0.1190(6) 0.1296(4) 0.9025(4) 0.0439(19) Uani 1 1 d . . .
H74 H 0.1046 0.1773 0.9058 0.053 Uiso 1 1 calc R . .
C75 C 0.1234(6) 0.0976(5) 0.9607(4) 0.051(2) Uani 1 1 d . . .
H75 H 0.1089 0.1202 1.0028 0.061 Uiso 1 1 calc R . .
C76 C 0.1491(6) 0.0323(5) 0.9562(4) 0.052(2) Uani 1 1 d . . .
H76 H 0.153 0.0084 0.9951 0.063 Uiso 1 1 calc R . .
C77 C 0.1692(6) 0.0021(5) 0.8933(4) 0.052(2) Uani 1 1 d . . .
C78 C 0.2442(10) -0.0830(8) 0.8446(7) 0.107(2) Uani 1 1 d U . .
C79 C 0.1723(9) -0.1363(7) 0.7612(6) 0.107(2) Uani 1 1 d U . .
H79A H 0.1093 -0.1903 0.757 0.16 Uiso 1 1 calc R . .
H79B H 0.2027 -0.1592 0.7304 0.16 Uiso 1 1 calc R . .
H79C H 0.1591 -0.0934 0.7431 0.16 Uiso 1 1 calc R . .
C80 C 0.3367(8) 0.0048(7) 0.8548(6) 0.107(2) Uani 1 1 d U . .
H80A H 0.3194 0.0369 0.8246 0.16 Uiso 1 1 calc R . .
H80B H 0.3813 -0.0114 0.838 0.16 Uiso 1 1 calc R . .
H80C H 0.3704 0.0469 0.9084 0.16 Uiso 1 1 calc R . .
C81 C 0.2644(8) -0.1484(7) 0.8700(6) 0.107(2) Uani 1 1 d U . .
H81A H 0.3146 -0.1141 0.9216 0.16 Uiso 1 1 calc R . .
H81B H 0.2896 -0.1744 0.836 0.16 Uiso 1 1 calc R . .
H81C H 0.2026 -0.2003 0.8694 0.16 Uiso 1 1 calc R . .
N1 N -0.3727(5) 0.0454(4) 0.6783(3) 0.0465(15) Uani 1 1 d . . .
N2 N -0.3506(5) -0.1093(4) 0.5767(3) 0.0434(15) Uani 1 1 d . . .
N3 N -0.3046(5) -0.0709(4) 0.7487(3) 0.0417(15) Uani 1 1 d . . .
N4 N 0.1065(4) 0.3177(3) 0.9929(3) 0.0321(13) Uani 1 1 d . . .
N5 N 0.2509(4) 0.5227(4) 0.9433(3) 0.0412(14) Uani 1 1 d . . .
N6 N 0.0047(4) 0.4478(3) 0.7742(3) 0.0387(14) Uani 1 1 d . . .
N7 N 0.2804(4) 0.2737(3) 0.7092(3) 0.0352(14) Uani 1 1 d . . .
N8 N -0.0074(4) -0.0878(3) 0.6592(3) 0.0405(15) Uani 1 1 d . . .
N9 N 0.1634(5) 0.0316(4) 0.8373(3) 0.0433(15) Uani 1 1 d . . .
O1 O -0.5313(5) -0.0102(4) 0.6648(4) 0.0777(17) Uani 1 1 d DU . .
O2 O -0.5026(5) -0.2375(4) 0.5125(3) 0.0740(18) Uani 1 1 d . . .
O3 O -0.4312(4) -0.1912(3) 0.7628(3) 0.0687(17) Uani 1 1 d D . .
O4 O 0.1698(4) 0.3185(3) 1.1105(2) 0.0435(12) Uani 1 1 d . . .
O5 O 0.3787(4) 0.6778(3) 1.0228(3) 0.0674(16) Uani 1 1 d . . .
O6 O -0.0307(5) 0.5327(4) 0.7088(3) 0.0654(17) Uani 1 1 d . . .
O7 O 0.3955(4) 0.3902(3) 0.6781(3) 0.0499(13) Uani 1 1 d . . .
O8 O -0.1026(4) -0.2537(3) 0.6100(3) 0.0601(16) Uani 1 1 d . . .
O9 O 0.1943(5) -0.0614(4) 0.8923(3) 0.088(2) Uani 1 1 d . . .
Li1 Li -0.4086(11) -0.0892(9) 0.6569(7) 0.060(4) Uani 1 1 d . . .
Sn1 Sn 0.01294(4) 0.21328(3) 0.69510(3) 0.03675(13) Uani 1 1 d . . .
Sn2 Sn -0.17019(4) 0.07339(3) 0.69386(3) 0.04018(14) Uani 1 1 d . . .
Sn3 Sn 0.06439(4) 0.33460(3) 0.84250(2) 0.03318(13) Uani 1 1 d . . .
Sn4 Sn 0.11196(4) 0.12567(3) 0.73948(3) 0.03396(13) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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
_geom_angle_site_symmetry_3
N1 C1 C2 120.7(7) . .
N1 C1 Sn2 116.4(5) . .
C2 C1 Sn2 122.9(6) . .
C3 C2 C1 119.1(9) . .
C3 C2 H2 120.4 . .
C1 C2 H2 120.4 . .
C4 C3 C2 119.7(8) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C3 C4 C5 118.5(9) . .
C3 C4 H4 120.8 . .
C5 C4 H4 120.8 . .
N1 C5 C4 123.4(9) . .
N1 C5 O1 111.3(7) . .
C4 C5 O1 125.1(9) . .
O1 C6 C7 111(2) . .
O1 C6 C8 119.2(17) . .
C7 C6 C8 108.0(15) . .
O1 C6 C9 101.2(16) . .
C7 C6 C9 108.8(17) . .
C8 C6 C9 108.5(16) . .
O1 C6F C7F 102.4(17) . .
O1 C6F C9F 115.2(14) . .
C7F C6F C9F 111.2(15) . .
O1 C6F C8F 106.9(13) . .
C7F C6F C8F 109.1(14) . .
C9F C6F C8F 111.4(14) . .
C6F C7F H7F1 109.5 . .
C6F C7F H7F2 109.5 . .
H7F1 C7F H7F2 109.5 . .
C6F C7F H7F3 109.5 . .
H7F1 C7F H7F3 109.5 . .
H7F2 C7F H7F3 109.5 . .
C6F C8F H8F1 109.5 . .
C6F C8F H8F2 109.5 . .
H8F1 C8F H8F2 109.5 . .
C6F C8F H8F3 109.5 . .
H8F1 C8F H8F3 109.5 . .
H8F2 C8F H8F3 109.5 . .
C6F C9F H9F1 109.5 . .
C6F C9F H9F2 109.5 . .
H9F1 C9F H9F2 109.5 . .
C6F C9F H9F3 109.5 . .
H9F1 C9F H9F3 109.5 . .
H9F2 C9F H9F3 109.5 . .
N2 C10 C11 121.3(6) . .
N2 C10 Sn2 115.1(4) . .
C11 C10 Sn2 123.2(6) . .
C10 C11 C12 117.8(8) . .
C10 C11 H11 121.1 . .
C12 C11 H11 121.1 . .
C13 C12 C11 120.5(7) . .
C13 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C12 C13 C14 118.7(7) . .
C12 C13 H13 120.7 . .
C14 C13 H13 120.7 . .
O2 C14 N2 110.9(7) . .
O2 C14 C13 127.5(7) . .
N2 C14 C13 121.5(8) . .
O2 C15 C17 105.8(7) . .
O2 C15 C18 109.6(8) . .
C17 C15 C18 110.3(7) . .
O2 C15 C16 110.6(7) . .
C17 C15 C16 109.6(9) . .
C18 C15 C16 110.8(8) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C15 C18 H18A 109.5 . .
C15 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C15 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N3 C19 C20 120.2(7) . .
N3 C19 Sn2 117.4(5) . .
C20 C19 Sn2 122.2(6) . .
C19 C20 C21 120.4(8) . .
C19 C20 H20 119.8 . .
C21 C20 H20 119.8 . .
C22 C21 C20 118.5(8) . .
C22 C21 H21 120.7 . .
C20 C21 H21 120.7 . .
C21 C22 C23 118.5(7) . .
C21 C22 H22 120.8 . .
C23 C22 H22 120.8 . .
N3 C23 O3 114.5(8) . .
N3 C23 C22 123.2(8) . .
O3 C23 C22 122.0(7) . .
O3 C24 C27 113.1(11) . .
O3 C24 C25 108.3(11) . .
C27 C24 C25 110.3(11) . .
O3 C24 C26 101.1(10) . .
C27 C24 C26 112.2(12) . .
C25 C24 C26 111.5(11) . .
O3 C24F C26F 115.7(19) . .
O3 C24F C25F 118(2) . .
C26F C24F C25F 102.6(16) . .
O3 C24F C27F 102.8(19) . .
C26F C24F C27F 111.8(18) . .
C25F C24F C27F 106.1(17) . .
C24F C25F H25D 109.5 . .
C24F C25F H25E 109.5 . .
H25D C25F H25E 109.5 . .
C24F C25F H25F 109.5 . .
H25D C25F H25F 109.5 . .
H25E C25F H25F 109.5 . .
C24F C26F H26D 109.5 . .
C24F C26F H26E 109.5 . .
H26D C26F H26E 109.5 . .
C24F C26F H26F 109.5 . .
H26D C26F H26F 109.5 . .
H26E C26F H26F 109.5 . .
C24F C27F H27D 109.5 . .
C24F C27F H27E 109.5 . .
H27D C27F H27E 109.5 . .
C24F C27F H27F 109.5 . .
H27D C27F H27F 109.5 . .
H27E C27F H27F 109.5 . .
N4 C28 C29 122.3(6) . .
N4 C28 Sn3 113.4(4) . .
C29 C28 Sn3 124.2(5) . .
C28 C29 C30 118.0(7) . .
C28 C29 H29 121 . .
C30 C29 H29 121 . .
C31 C30 C29 120.7(7) . .
C31 C30 H30 119.7 . .
C29 C30 H30 119.7 . .
C30 C31 C32 117.5(6) . .
C30 C31 H31 121.3 . .
C32 C31 H31 121.3 . .
N4 C32 O4 119.4(6) . .
N4 C32 C31 123.6(7) . .
O4 C32 C31 117.0(6) . .
O4 C33 C34 111.3(6) . .
O4 C33 C36 102.3(5) . .
C34 C33 C36 110.8(6) . .
O4 C33 C35 110.6(5) . .
C34 C33 C35 111.3(6) . .
C36 C33 C35 110.3(6) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C33 C36 H36A 109.5 . .
C33 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C33 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N5 C37 C38 120.7(7) . .
N5 C37 Sn3 114.5(5) . .
C38 C37 Sn3 124.8(5) . .
C37 C38 C39 120.4(6) . .
C37 C38 H38 119.8 . .
C39 C38 H38 119.8 . .
C40 C39 C38 119.7(7) . .
C40 C39 H39 120.2 . .
C38 C39 H39 120.2 . .
C39 C40 C41 116.9(7) . .
C39 C40 H40 121.6 . .
C41 C40 H40 121.6 . .
N5 C41 O5 121.0(6) . .
N5 C41 C40 124.3(6) . .
O5 C41 C40 114.7(7) . .
O5 C42 C44 110.8(7) . .
O5 C42 C43 109.8(7) . .
C44 C42 C43 111.9(8) . .
O5 C42 C45 102.0(7) . .
C44 C42 C45 110.9(7) . .
C43 C42 C45 111.0(8) . .
C42 C43 H43A 109.5 . .
C42 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C42 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C42 C44 H44A 109.5 . .
C42 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C42 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C42 C45 H45A 109.5 . .
C42 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C42 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
N6 C46 C47 121.6(6) . .
N6 C46 Sn3 115.8(4) . .
C47 C46 Sn3 122.6(5) . .
C46 C47 C48 119.0(6) . .
C46 C47 H47 120.5 . .
C48 C47 H47 120.5 . .
C49 C48 C47 119.6(6) . .
C49 C48 H48 120.2 . .
C47 C48 H48 120.2 . .
C48 C49 C50 117.7(6) . .
C48 C49 H49 121.1 . .
C50 C49 H49 121.1 . .
N6 C50 O6 122.5(6) . .
N6 C50 C49 123.5(6) . .
O6 C50 C49 114.0(6) . .
O6 C51 C53 111.4(8) . .
O6 C51 C54 108.8(8) . .
C53 C51 C54 110.7(8) . .
O6 C51 C52 101.8(6) . .
C53 C51 C52 112.0(8) . .
C54 C51 C52 111.8(8) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C51 C54 H54A 109.5 . .
C51 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C51 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
N7 C55 C56 121.2(6) . .
N7 C55 Sn4 116.1(5) . .
C56 C55 Sn4 122.7(5) . .
C57 C56 C55 120.1(7) . .
C57 C56 H56 120 . .
C55 C56 H56 120 . .
C58 C57 C56 119.3(8) . .
C58 C57 H57 120.4 . .
C56 C57 H57 120.4 . .
C57 C58 C59 118.3(7) . .
C57 C58 H58 120.8 . .
C59 C58 H58 120.8 . .
N7 C59 O7 119.6(7) . .
N7 C59 C58 124.7(6) . .
O7 C59 C58 115.7(6) . .
O7 C60 C61 109.4(6) . .
O7 C60 C62 111.4(6) . .
C61 C60 C62 112.6(7) . .
O7 C60 C63 102.2(6) . .
C61 C60 C63 110.2(6) . .
C62 C60 C63 110.5(7) . .
C60 C61 H61A 109.5 . .
C60 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C60 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C60 C62 H62A 109.5 . .
C60 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C60 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C60 C63 H63A 109.5 . .
C60 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C60 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
N8 C64 C65 122.2(5) . .
N8 C64 Sn4 118.0(4) . .
C65 C64 Sn4 119.7(5) . .
C64 C65 C66 119.1(6) . .
C64 C65 H65 120.5 . .
C66 C65 H65 120.5 . .
C67 C66 C65 118.9(6) . .
C67 C66 H66 120.5 . .
C65 C66 H66 120.5 . .
C66 C67 C68 118.8(6) . .
C66 C67 H67 120.6 . .
C68 C67 H67 120.6 . .
N8 C68 O8 121.6(6) . .
N8 C68 C67 123.0(6) . .
O8 C68 C67 115.4(6) . .
O8 C69 C71 111.4(6) . .
O8 C69 C72 101.1(5) . .
C71 C69 C72 110.0(8) . .
O8 C69 C70 110.8(7) . .
C71 C69 C70 112.6(6) . .
C72 C69 C70 110.4(7) . .
C69 C70 H70A 109.5 . .
C69 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C69 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
C69 C71 H71A 109.5 . .
C69 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C69 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C69 C72 H72A 109.5 . .
C69 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C69 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
N9 C73 C74 120.1(6) . .
N9 C73 Sn4 115.8(4) . .
C74 C73 Sn4 124.1(5) . .
C73 C74 C75 121.0(6) . .
C73 C74 H74 119.5 . .
C75 C74 H74 119.5 . .
C76 C75 C74 118.1(6) . .
C76 C75 H75 120.9 . .
C74 C75 H75 120.9 . .
C75 C76 C77 118.2(6) . .
C75 C76 H76 120.9 . .
C77 C76 H76 120.9 . .
N9 C77 O9 121.0(6) . .
N9 C77 C76 123.5(6) . .
O9 C77 C76 115.4(6) . .
O9 C78 C81 103.4(8) . .
O9 C78 C80 110.6(8) . .
C81 C78 C80 112.8(10) . .
O9 C78 C79 110.0(9) . .
C81 C78 C79 108.5(9) . .
C80 C78 C79 111.3(9) . .
C78 C79 H79A 109.5 . .
C78 C79 H79B 109.5 . .
H79A C79 H79B 109.5 . .
C78 C79 H79C 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
C78 C80 H80A 109.5 . .
C78 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
C78 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
C78 C81 H81A 109.5 . .
C78 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
C78 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
C5 N1 C1 118.6(6) . .
C5 N1 Li1 121.4(7) . .
C1 N1 Li1 119.9(6) . .
C10 N2 C14 120.1(6) . .
C10 N2 Li1 121.7(6) . .
C14 N2 Li1 117.8(7) . .
C23 N3 C19 119.2(7) . .
C23 N3 Li1 120.9(7) . .
C19 N3 Li1 118.6(6) . .
C32 N4 C28 117.9(6) . .
C41 N5 C37 118.0(6) . .
C50 N6 C46 118.6(5) . .
C59 N7 C55 116.4(6) . .
C64 N8 C68 117.9(5) . .
C77 N9 C73 118.8(5) . .
C5 O1 C6F 125.5(10) . .
C5 O1 C6 122.3(10) . .
C6F O1 C6 13.0(12) . .
C14 O2 C15 124.7(7) . .
C23 O3 C24 120.7(8) . .
C23 O3 C24F 114.9(12) . .
C24 O3 C24F 5.8(15) . .
C32 O4 C33 123.3(5) . .
C41 O5 C42 122.1(6) . .
C50 O6 C51 123.5(6) . .
C59 O7 C60 123.1(5) . .
C68 O8 C69 124.2(5) . .
C77 O9 C78 124.4(6) . .
N1 Li1 N2 102.1(6) . .
N1 Li1 N3 101.4(6) . .
N2 Li1 N3 100.0(6) . .
N1 Li1 Sn2 63.5(4) . .
N2 Li1 Sn2 62.4(4) . .
N3 Li1 Sn2 63.5(4) . .
Sn2 Sn1 Sn3 92.516(19) . .
Sn2 Sn1 Sn4 93.223(19) . .
Sn3 Sn1 Sn4 96.13(2) . .
C19 Sn2 C10 93.8(2) . .
C19 Sn2 C1 98.9(3) . .
C10 Sn2 C1 99.8(3) . .
C19 Sn2 Sn1 132.5(2) . .
C10 Sn2 Sn1 112.10(18) . .
C1 Sn2 Sn1 114.0(2) . .
C19 Sn2 Li1 60.1(3) . .
C10 Sn2 Li1 60.7(3) . .
C1 Sn2 Li1 60.1(3) . .
Sn1 Sn2 Li1 167.4(2) . .
C46 Sn3 C37 102.8(2) . .
C46 Sn3 C28 104.7(2) . .
C37 Sn3 C28 100.8(2) . .
C46 Sn3 Sn1 109.23(17) . .
C37 Sn3 Sn1 112.59(15) . .
C28 Sn3 Sn1 124.51(14) . .
C73 Sn4 C64 100.4(2) . .
C73 Sn4 C55 101.2(3) . .
C64 Sn4 C55 103.6(2) . .
C73 Sn4 Sn1 129.67(16) . .
C64 Sn4 Sn1 112.95(18) . .
C55 Sn4 Sn1 105.95(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.352(9) .
C1 C2 1.381(9) .
C1 Sn2 2.184(8) .
C2 C3 1.380(11) .
C2 H2 0.95 .
C3 C4 1.353(13) .
C3 H3 0.95 .
C4 C5 1.368(11) .
C4 H4 0.95 .
C5 N1 1.322(9) .
C5 O1 1.369(9) .
C6 O1 1.414(16) .
C6 C7 1.501(14) .
C6 C8 1.505(14) .
C6 C9 1.527(14) .
C7 H7A 0.98 .
C7 H7B 0.98 .
C7 H7C 0.98 .
C8 H8A 0.98 .
C8 H8B 0.98 .
C8 H8C 0.98 .
C9 H9A 0.98 .
C9 H9B 0.98 .
C9 H9C 0.98 .
C6F O1 1.403(14) .
C6F C7F 1.496(13) .
C6F C9F 1.505(13) .
C6F C8F 1.507(13) .
C7F H7F1 0.98 .
C7F H7F2 0.98 .
C7F H7F3 0.98 .
C8F H8F1 0.98 .
C8F H8F2 0.98 .
C8F H8F3 0.98 .
C9F H9F1 0.98 .
C9F H9F2 0.98 .
C9F H9F3 0.98 .
C10 N2 1.335(9) .
C10 C11 1.379(8) .
C10 Sn2 2.179(7) .
C11 C12 1.399(9) .
C11 H11 0.95 .
C12 C13 1.354(11) .
C12 H12 0.95 .
C13 C14 1.375(9) .
C13 H13 0.95 .
C14 O2 1.342(9) .
C14 N2 1.342(9) .
C15 O2 1.396(9) .
C15 C17 1.512(11) .
C15 C18 1.534(12) .
C15 C16 1.539(12) .
C16 H16A 0.98 .
C16 H16B 0.98 .
C16 H16C 0.98 .
C17 H17A 0.98 .
C17 H17B 0.98 .
C17 H17C 0.98 .
C18 H18A 0.98 .
C18 H18B 0.98 .
C18 H18C 0.98 .
C19 N3 1.352(8) .
C19 C20 1.372(10) .
C19 Sn2 2.168(7) .
C20 C21 1.394(9) .
C20 H20 0.95 .
C21 C22 1.356(10) .
C21 H21 0.95 .
C22 C23 1.389(11) .
C22 H22 0.95 .
C23 N3 1.317(8) .
C23 O3 1.374(9) .
C24 O3 1.448(11) .
C24 C27 1.510(12) .
C24 C25 1.513(12) .
C24 C26 1.527(12) .
C25 H25A 0.98 .
C25 H25B 0.98 .
C25 H25C 0.98 .
C26 H26A 0.98 .
C26 H26B 0.98 .
C26 H26C 0.98 .
C27 H27A 0.98 .
C27 H27B 0.98 .
C27 H27C 0.98 .
C24F O3 1.473(16) .
C24F C26F 1.533(15) .
C24F C25F 1.535(15) .
C24F C27F 1.536(15) .
C25F H25D 0.98 .
C25F H25E 0.98 .
C25F H25F 0.98 .
C26F H26D 0.98 .
C26F H26E 0.98 .
C26F H26F 0.98 .
C27F H27D 0.98 .
C27F H27E 0.98 .
C27F H27F 0.98 .
C28 N4 1.349(8) .
C28 C29 1.383(9) .
C28 Sn3 2.183(6) .
C29 C30 1.384(8) .
C29 H29 0.95 .
C30 C31 1.359(9) .
C30 H30 0.95 .
C31 C32 1.391(9) .
C31 H31 0.95 .
C32 N4 1.326(7) .
C32 O4 1.347(8) .
C33 O4 1.465(8) .
C33 C34 1.507(8) .
C33 C36 1.513(9) .
C33 C35 1.521(8) .
C34 H34A 0.98 .
C34 H34B 0.98 .
C34 H34C 0.98 .
C35 H35A 0.98 .
C35 H35B 0.98 .
C35 H35C 0.98 .
C36 H36A 0.98 .
C36 H36B 0.98 .
C36 H36C 0.98 .
C37 N5 1.357(7) .
C37 C38 1.363(9) .
C37 Sn3 2.165(7) .
C38 C39 1.375(10) .
C38 H38 0.95 .
C39 C40 1.358(9) .
C39 H39 0.95 .
C40 C41 1.397(9) .
C40 H40 0.95 .
C41 N5 1.314(9) .
C41 O5 1.362(7) .
C42 O5 1.471(9) .
C42 C44 1.492(12) .
C42 C43 1.503(10) .
C42 C45 1.514(10) .
C43 H43A 0.98 .
C43 H43B 0.98 .
C43 H43C 0.98 .
C44 H44A 0.98 .
C44 H44B 0.98 .
C44 H44C 0.98 .
C45 H45A 0.98 .
C45 H45B 0.98 .
C45 H45C 0.98 .
C46 N6 1.344(7) .
C46 C47 1.382(8) .
C46 Sn3 2.161(6) .
C47 C48 1.383(9) .
C47 H47 0.95 .
C48 C49 1.367(9) .
C48 H48 0.95 .
C49 C50 1.392(8) .
C49 H49 0.95 .
C50 N6 1.318(8) .
C50 O6 1.349(7) .
C51 O6 1.452(9) .
C51 C53 1.479(11) .
C51 C54 1.509(13) .
C51 C52 1.517(11) .
C52 H52A 0.98 .
C52 H52B 0.98 .
C52 H52C 0.98 .
C53 H53A 0.98 .
C53 H53B 0.98 .
C53 H53C 0.98 .
C54 H54A 0.98 .
C54 H54B 0.98 .
C54 H54C 0.98 .
C55 N7 1.365(7) .
C55 C56 1.378(10) .
C55 Sn4 2.172(7) .
C56 C57 1.373(10) .
C56 H56 0.95 .
C57 C58 1.351(9) .
C57 H57 0.95 .
C58 C59 1.369(9) .
C58 H58 0.95 .
C59 N7 1.338(8) .
C59 O7 1.360(7) .
C60 O7 1.467(9) .
C60 C61 1.508(9) .
C60 C62 1.510(11) .
C60 C63 1.519(9) .
C61 H61A 0.98 .
C61 H61B 0.98 .
C61 H61C 0.98 .
C62 H62A 0.98 .
C62 H62B 0.98 .
C62 H62C 0.98 .
C63 H63A 0.98 .
C63 H63B 0.98 .
C63 H63C 0.98 .
C64 N8 1.330(7) .
C64 C65 1.374(8) .
C64 Sn4 2.167(6) .
C65 C66 1.397(8) .
C65 H65 0.95 .
C66 C67 1.342(9) .
C66 H66 0.95 .
C67 C68 1.387(8) .
C67 H67 0.95 .
C68 N8 1.338(7) .
C68 O8 1.343(7) .
C69 O8 1.456(8) .
C69 C71 1.497(11) .
C69 C72 1.508(9) .
C69 C70 1.521(11) .
C70 H70A 0.98 .
C70 H70B 0.98 .
C70 H70C 0.98 .
C71 H71A 0.98 .
C71 H71B 0.98 .
C71 H71C 0.98 .
C72 H72A 0.98 .
C72 H72B 0.98 .
C72 H72C 0.98 .
C73 N9 1.349(7) .
C73 C74 1.371(8) .
C73 Sn4 2.163(6) .
C74 C75 1.377(9) .
C74 H74 0.95 .
C75 C76 1.366(9) .
C75 H75 0.95 .
C76 C77 1.384(9) .
C76 H76 0.95 .
C77 N9 1.313(8) .
C77 O9 1.337(7) .
C78 O9 1.451(10) .
C78 C81 1.474(12) .
C78 C80 1.483(13) .
C78 C79 1.542(15) .
C79 H79A 0.98 .
C79 H79B 0.98 .
C79 H79C 0.98 .
C80 H80A 0.98 .
C80 H80B 0.98 .
C80 H80C 0.98 .
C81 H81A 0.98 .
C81 H81B 0.98 .
C81 H81C 0.98 .
N1 Li1 2.024(13) .
N2 Li1 2.034(13) .
N3 Li1 2.038(15) .
Li1 Sn2 3.339(14) .
Sn1 Sn2 2.8127(7) .
Sn1 Sn3 2.8181(6) .
Sn1 Sn4 2.8217(6) .
