#------------------------------------------------------------------------------
#$Date: 2018-09-08 19:26:45 +0300 (Sat, 08 Sep 2018) $
#$Revision: 210570 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/54/7105404.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_7105404
loop_
_publ_author_name
'Zeckert, Kornelia'
'Zahn, Stefan'
'Kirchner, Barbara'
_publ_section_title
;
 Tin--lanthanoid donor--acceptor bonds
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   15
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              2638
_journal_page_last               2640
_journal_paper_doi               10.1039/b924967b
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C37 H41 Li N3 O Sn Yb'
_chemical_formula_sum            'C37 H41 Li N3 O Sn Yb'
_chemical_formula_weight         842.4
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2009-11-26T12:40:33-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                87.540(3)
_cell_angle_beta                 74.044(3)
_cell_angle_gamma                87.790(3)
_cell_formula_units_Z            4
_cell_length_a                   12.1128(4)
_cell_length_b                   14.9906(5)
_cell_length_c                   19.3565(6)
_cell_measurement_reflns_used    10919
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.2674
_cell_measurement_theta_min      2.5315
_cell_volume                     3374.9(2)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution
;
SHELXS-97
Program for Crystal Structure Analysis (Release 97-2)
G. M. Sheldrick, Institüt für Anorganische Chemie der Universität,
Tammanstrasse 4, D-3400 Göttingen, Germany, 1998.
;
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_orient_matrix_UB_11      0.0583089693
_diffrn_orient_matrix_UB_12      0.0094364061
_diffrn_orient_matrix_UB_13      -0.0169087805
_diffrn_orient_matrix_UB_21      0.0175476998
_diffrn_orient_matrix_UB_22      -0.0336628505
_diffrn_orient_matrix_UB_23      0.021879615
_diffrn_orient_matrix_UB_31      0.0012778628
_diffrn_orient_matrix_UB_32      -0.0318780735
_diffrn_orient_matrix_UB_33      -0.0262110528
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.1169
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            61227
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    3.527
_exptl_absorpt_correction_T_max  0.3716
_exptl_absorpt_correction_T_min  0.2261
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1660
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.35
_refine_diff_density_max         4.192
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.215
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.866
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         12347
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.866
_refine_ls_R_factor_all          0.0942
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0658P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1255
_reflns_number_gt                7184
_reflns_number_total             12347
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b924967b.txt
_cod_data_source_block           x0439fin
_cod_original_cell_volume        3374.88(19)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105404
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 0.1363(9) 0.5374(6) 0.2747(5) 0.024(2) Uani 1 1 d . . .
C2 C 0.1335(9) 0.5881(6) 0.3334(6) 0.028(2) Uani 1 1 d . . .
H2 H 0.0656 0.5895 0.3722 0.034 Uiso 1 1 calc R . .
C3 C 0.2265(10) 0.6368(7) 0.3373(6) 0.034(3) Uani 1 1 d . . .
H3 H 0.2216 0.6724 0.3775 0.041 Uiso 1 1 calc R . .
C4 C 0.3267(9) 0.6326(7) 0.2816(6) 0.031(3) Uani 1 1 d . . .
C5 C 0.3262(9) 0.5787(6) 0.2254(6) 0.035(3) Uani 1 1 d . . .
H5 H 0.3948 0.5733 0.1874 0.042 Uiso 1 1 calc R . .
C6 C 0.4283(10) 0.6873(8) 0.2793(7) 0.051(3) Uani 1 1 d . . .
H6A H 0.4897 0.6746 0.2356 0.076 Uiso 1 1 calc R . .
H6B H 0.4556 0.6723 0.3216 0.076 Uiso 1 1 calc R . .
H6C H 0.4062 0.7508 0.279 0.076 Uiso 1 1 calc R . .
C7 C 0.0028(8) 0.5345(6) 0.1538(5) 0.020(2) Uani 1 1 d . . .
C8 C -0.0825(9) 0.5870(6) 0.1370(6) 0.030(3) Uani 1 1 d . . .
H8 H -0.1535 0.596 0.1724 0.035 Uiso 1 1 calc R . .
C9 C -0.0666(10) 0.6269(6) 0.0689(6) 0.030(3) Uani 1 1 d . . .
H9 H -0.1265 0.6635 0.0588 0.036 Uiso 1 1 calc R . .
C10 C 0.0333(10) 0.6145(7) 0.0166(6) 0.033(3) Uani 1 1 d . . .
C11 C 0.1161(10) 0.5625(7) 0.0374(6) 0.032(3) Uani 1 1 d . . .
H11 H 0.1874 0.5532 0.0023 0.039 Uiso 1 1 calc R . .
C12 C 0.0546(11) 0.6569(7) -0.0573(6) 0.044(3) Uani 1 1 d . . .
H12A H 0.1316 0.6391 -0.0863 0.066 Uiso 1 1 calc R . .
H12B H 0.0491 0.722 -0.054 0.066 Uiso 1 1 calc R . .
H12C H -0.0028 0.6371 -0.0801 0.066 Uiso 1 1 calc R . .
C13 C 0.0601(9) 0.3438(6) 0.2297(5) 0.024(2) Uani 1 1 d . . .
C14 C 0.0038(8) 0.2658(6) 0.2572(5) 0.024(2) Uani 1 1 d . . .
H14 H -0.0706 0.2689 0.2899 0.029 Uiso 1 1 calc R . .
C15 C 0.0553(9) 0.1840(6) 0.2373(5) 0.027(2) Uani 1 1 d . . .
H15 H 0.0158 0.1311 0.2563 0.032 Uiso 1 1 calc R . .
C16 C 0.1623(9) 0.1780(6) 0.1905(5) 0.025(2) Uani 1 1 d . . .
C17 C 0.2111(9) 0.2580(7) 0.1642(6) 0.032(3) Uani 1 1 d . . .
H17 H 0.2847 0.2555 0.1304 0.038 Uiso 1 1 calc R . .
C18 C 0.2230(9) 0.0919(6) 0.1672(6) 0.032(3) Uani 1 1 d . . .
H18A H 0.2983 0.1036 0.1337 0.048 Uiso 1 1 calc R . .
H18B H 0.1775 0.0579 0.1432 0.048 Uiso 1 1 calc R . .
H18C H 0.2332 0.0574 0.2093 0.048 Uiso 1 1 calc R . .
C19 C 0.3837(8) 0.9134(6) 0.2104(5) 0.019(2) Uani 1 1 d . . .
C20 C 0.3968(8) 0.8819(6) 0.1422(5) 0.021(2) Uani 1 1 d . . .
H20 H 0.4644 0.8947 0.1049 0.025 Uiso 1 1 calc R . .
C21 C 0.3122(9) 0.8318(6) 0.1279(6) 0.025(2) Uani 1 1 d . . .
H21 H 0.3217 0.8115 0.0808 0.031 Uiso 1 1 calc R . .
C22 C 0.2152(8) 0.8115(6) 0.1812(5) 0.024(2) Uani 1 1 d . . .
C23 C 0.2070(9) 0.8461(6) 0.2476(6) 0.027(2) Uani 1 1 d . . .
H23 H 0.1398 0.8331 0.2851 0.033 Uiso 1 1 calc R . .
C24 C 0.1235(9) 0.7544(7) 0.1701(6) 0.034(3) Uani 1 1 d . . .
H24A H 0.0621 0.7487 0.215 0.051 Uiso 1 1 calc R . .
H24B H 0.1563 0.6951 0.1555 0.051 Uiso 1 1 calc R . .
H24C H 0.0921 0.7819 0.1324 0.051 Uiso 1 1 calc R . .
C25 C 0.5019(9) 0.9228(6) 0.3454(5) 0.025(2) Uani 1 1 d . . .
C26 C 0.5972(9) 0.8847(6) 0.3653(6) 0.028(2) Uani 1 1 d . . .
H26 H 0.6678 0.8745 0.3298 0.034 Uiso 1 1 calc R . .
C27 C 0.5879(10) 0.8621(6) 0.4368(6) 0.030(3) Uani 1 1 d . . .
H27 H 0.6529 0.8385 0.4506 0.036 Uiso 1 1 calc R . .
C28 C 0.4844(11) 0.8739(6) 0.4880(6) 0.032(3) Uani 1 1 d . . .
C29 C 0.3928(10) 0.9057(6) 0.4641(6) 0.029(3) Uani 1 1 d . . .
H29 H 0.3202 0.9111 0.4985 0.035 Uiso 1 1 calc R . .
C30 C 0.4731(12) 0.8545(8) 0.5666(6) 0.050(3) Uani 1 1 d . . .
H30A H 0.3938 0.8671 0.5945 0.075 Uiso 1 1 calc R . .
H30B H 0.525 0.8924 0.5824 0.075 Uiso 1 1 calc R . .
H30C H 0.4932 0.7916 0.5739 0.075 Uiso 1 1 calc R . .
C31 C 0.4238(9) 1.1054(6) 0.2773(5) 0.023(2) Uani 1 1 d . . .
C32 C 0.4732(9) 1.1893(6) 0.2608(5) 0.025(2) Uani 1 1 d . . .
H32 H 0.5494 1.1938 0.2307 0.03 Uiso 1 1 calc R . .
C33 C 0.4123(10) 1.2645(7) 0.2878(6) 0.034(3) Uani 1 1 d . . .
H33 H 0.446 1.3213 0.2762 0.041 Uiso 1 1 calc R . .
C34 C 0.3031(11) 1.2580(7) 0.3315(6) 0.035(3) Uani 1 1 d . . .
C35 C 0.2584(10) 1.1727(7) 0.3466(6) 0.032(3) Uani 1 1 d . . .
H35 H 0.1827 1.1674 0.3774 0.038 Uiso 1 1 calc R . .
C36 C 0.2300(11) 1.3371(7) 0.3644(7) 0.051(4) Uani 1 1 d . . .
H36A H 0.155 1.3167 0.3934 0.077 Uiso 1 1 calc R . .
H36B H 0.2194 1.3788 0.3261 0.077 Uiso 1 1 calc R . .
H36C H 0.268 1.3674 0.3951 0.077 Uiso 1 1 calc R . .
C37 C 0.4786(9) 0.3983(7) 0.0827(6) 0.039(3) Uani 1 1 d . . .
H37A H 0.4654 0.3518 0.1219 0.046 Uiso 1 1 calc R . .
H37B H 0.5124 0.4505 0.098 0.046 Uiso 1 1 calc R . .
C38 C 0.5572(10) 0.3626(8) 0.0150(7) 0.046(3) Uani 1 1 d . . .
H38A H 0.5977 0.4114 -0.017 0.056 Uiso 1 1 calc R . .
H38B H 0.6144 0.3191 0.0255 0.056 Uiso 1 1 calc R . .
C39 C 0.4765(10) 0.3192(8) -0.0169(7) 0.051(3) Uani 1 1 d . . .
H39A H 0.4597 0.2581 0.0041 0.061 Uiso 1 1 calc R . .
H39B H 0.5082 0.3156 -0.0697 0.061 Uiso 1 1 calc R . .
C40 C 0.3681(10) 0.3797(7) 0.0019(6) 0.043(3) Uani 1 1 d . . .
H40A H 0.3686 0.4241 -0.0376 0.051 Uiso 1 1 calc R . .
H40B H 0.2981 0.3441 0.0111 0.051 Uiso 1 1 calc R . .
C41 C 0.0151(11) 0.9745(9) 0.3887(7) 0.058(4) Uani 1 1 d . . .
H41A H 0.0285 0.967 0.3364 0.069 Uiso 1 1 calc R . .
H41B H -0.0049 1.038 0.3995 0.069 Uiso 1 1 calc R . .
C42 C -0.0783(12) 0.9154(9) 0.4309(7) 0.0622(17) Uani 1 1 d . . .
H42A H -0.1224 0.9445 0.4755 0.075 Uiso 1 1 calc R . .
H42B H -0.1318 0.9029 0.4021 0.075 Uiso 1 1 calc R . .
C43 C -0.0240(12) 0.8361(9) 0.4474(7) 0.0622(17) Uani 1 1 d . . .
H43A H -0.0176 0.7918 0.4099 0.075 Uiso 1 1 calc R . .
H43B H -0.0676 0.8098 0.4943 0.075 Uiso 1 1 calc R . .
C44 C 0.0909(12) 0.8626(9) 0.4501(7) 0.0622(17) Uani 1 1 d . . .
H44A H 0.0924 0.869 0.5005 0.075 Uiso 1 1 calc R . .
H44B H 0.1497 0.817 0.4278 0.075 Uiso 1 1 calc R . .
C45 C -0.3488(9) 0.4781(8) 0.2640(6) 0.037(3) Uani 1 1 d . . .
H45 H -0.3364 0.5262 0.2294 0.044 Uiso 1 1 calc R . .
C46 C -0.4387(9) 0.4704(7) 0.3282(6) 0.035(3) Uani 1 1 d . . .
H46 H -0.5004 0.5126 0.3432 0.042 Uiso 1 1 calc R . .
C47 C -0.4240(9) 0.3918(7) 0.3664(6) 0.033(3) Uani 1 1 d . . .
H47 H -0.4715 0.3731 0.4121 0.04 Uiso 1 1 calc R . .
C48 C -0.3247(10) 0.3445(7) 0.3248(6) 0.038(3) Uani 1 1 d . . .
H48 H -0.2944 0.2883 0.3368 0.046 Uiso 1 1 calc R . .
C49 C -0.2811(10) 0.3984(8) 0.2624(6) 0.041(3) Uani 1 1 d . . .
H49 H -0.2154 0.3834 0.2244 0.049 Uiso 1 1 calc R . .
C50 C -0.2956(10) 0.6555(6) 0.3299(6) 0.035(3) Uani 1 1 d . . .
H50 H -0.3169 0.6607 0.2862 0.042 Uiso 1 1 calc R . .
C51 C -0.1854(9) 0.6603(6) 0.3379(6) 0.032(3) Uani 1 1 d . . .
H51 H -0.1179 0.6687 0.2996 0.039 Uiso 1 1 calc R . .
C52 C -0.1885(10) 0.6509(7) 0.4095(6) 0.036(3) Uani 1 1 d . . .
H52 H -0.1244 0.6518 0.4288 0.043 Uiso 1 1 calc R . .
C53 C -0.3029(10) 0.6399(7) 0.4487(6) 0.038(3) Uani 1 1 d . . .
H53 H -0.3311 0.6325 0.4994 0.045 Uiso 1 1 calc R . .
C54 C -0.3686(10) 0.6417(6) 0.3989(6) 0.036(3) Uani 1 1 d . . .
H54 H -0.4493 0.6347 0.4103 0.044 Uiso 1 1 calc R . .
C55 C -0.1765(11) 0.4764(8) 0.4938(6) 0.0444(14) Uani 1 1 d . . .
H55 H -0.155 0.5317 0.5077 0.053 Uiso 1 1 calc R . .
C56 C -0.2869(11) 0.4386(8) 0.5125(6) 0.0444(14) Uani 1 1 d . . .
H56 H -0.3538 0.4653 0.5433 0.053 Uiso 1 1 calc R . .
C57 C -0.2844(11) 0.3593(8) 0.4806(6) 0.0444(14) Uani 1 1 d . . .
H57 H -0.3481 0.3225 0.4846 0.053 Uiso 1 1 calc R . .
C58 C -0.1715(11) 0.3418(8) 0.4411(6) 0.0444(14) Uani 1 1 d . . .
H58 H -0.1442 0.2908 0.4132 0.053 Uiso 1 1 calc R . .
C59 C -0.1065(11) 0.4121(7) 0.4497(6) 0.0444(14) Uani 1 1 d . . .
H59 H -0.026 0.4165 0.429 0.053 Uiso 1 1 calc R . .
C60 C 0.7065(9) 0.8274(6) 0.0851(6) 0.029(3) Uani 1 1 d . . .
H60 H 0.6383 0.8229 0.0705 0.035 Uiso 1 1 calc R . .
C61 C 0.7160(10) 0.8134(6) 0.1548(6) 0.037(3) Uani 1 1 d . . .
H61 H 0.655 0.7983 0.1958 0.044 Uiso 1 1 calc R . .
C62 C 0.8298(9) 0.8252(6) 0.1546(6) 0.031(3) Uani 1 1 d . . .
H62 H 0.8606 0.8191 0.1947 0.037 Uiso 1 1 calc R . .
C63 C 0.8903(9) 0.8480(6) 0.0829(6) 0.030(3) Uani 1 1 d . . .
H63 H 0.9697 0.8605 0.0664 0.035 Uiso 1 1 calc R . .
C64 C 0.8141(9) 0.8491(6) 0.0406(6) 0.025(2) Uani 1 1 d . . .
H64 H 0.8322 0.8623 -0.0096 0.03 Uiso 1 1 calc R . .
C65 C 0.8465(9) 0.9963(6) 0.2393(6) 0.0280(11) Uani 1 1 d . . .
H65 H 0.8312 0.9473 0.273 0.034 Uiso 1 1 calc R . .
C66 C 0.9401(9) 1.0044(6) 0.1760(5) 0.0280(11) Uani 1 1 d . . .
H66 H 1.0013 0.9617 0.1616 0.034 Uiso 1 1 calc R . .
C67 C 0.9291(9) 1.0838(6) 0.1386(6) 0.0280(11) Uani 1 1 d . . .
H67 H 0.978 1.1034 0.0936 0.034 Uiso 1 1 calc R . .
C68 C 0.8309(9) 1.1299(6) 0.1805(5) 0.0280(11) Uani 1 1 d . . .
H68 H 0.8031 1.1874 0.1695 0.034 Uiso 1 1 calc R . .
C69 C 0.7822(4) 1.0761(3) 0.2409(2) 0.0280(11) Uani 1 1 d . . .
H69 H 0.7151 1.0914 0.2778 0.034 Uiso 1 1 calc R . .
C70 C 0.5988(4) 1.0727(3) 0.0647(2) 0.0253(11) Uani 1 1 d R . .
H70 H 0.5196 1.0656 0.0883 0.03 Uiso 1 1 calc R . .
C71 C 0.6690(4) 1.0151(3) 0.0132(2) 0.0253(11) Uani 1 1 d R . .
H71 H 0.645 0.9626 -0.0037 0.03 Uiso 1 1 calc R . .
C72 C 0.7813(4) 1.0496(3) -0.0086(2) 0.0253(11) Uani 1 1 d R . .
H72 H 0.8456 1.0243 -0.0427 0.03 Uiso 1 1 calc R . .
C73 C 0.7805(4) 1.1286(3) 0.0294(2) 0.0253(11) Uani 1 1 d R . .
H73 H 0.8442 1.1655 0.0253 0.03 Uiso 1 1 calc R . .
C74 C 0.6677(4) 1.1429(3) 0.0747(2) 0.0253(11) Uani 1 1 d R . .
H74 H 0.6427 1.191 0.1063 0.03 Uiso 1 1 calc R . .
N1 N 0.2346(7) 0.5334(6) 0.2212(5) 0.031(2) Uani 1 1 d . . .
N2 N 0.1051(7) 0.5242(5) 0.1021(4) 0.026(2) Uani 1 1 d . . .
N3 N 0.1647(7) 0.3392(5) 0.1818(5) 0.029(2) Uani 1 1 d . . .
N4 N 0.2864(7) 0.8969(5) 0.2642(4) 0.0250(19) Uani 1 1 d . . .
N5 N 0.3988(7) 0.9296(5) 0.3952(4) 0.026(2) Uani 1 1 d . . .
N6 N 0.3156(7) 1.0979(5) 0.3204(4) 0.0233(19) Uani 1 1 d . . .
Sn1 Sn -0.01857(6) 0.47613(4) 0.26256(4) 0.02214(18) Uani 1 1 d . . .
Sn2 Sn 0.52370(6) 0.98233(4) 0.23662(4) 0.01944(17) Uani 1 1 d . . .
Yb1 Yb -0.25178(4) 0.48833(3) 0.37655(2) 0.02302(13) Uani 1 1 d . . .
Yb2 Yb 0.75810(4) 0.99015(3) 0.12470(2) 0.01994(12) Uani 1 1 d . . .
Li1 Li 0.2298(14) 0.4578(10) 0.1372(8) 0.020(4) Uani 1 1 d . . .
Li2 Li 0.2711(14) 0.9717(11) 0.3523(9) 0.027(4) Uani 1 1 d . . .
O1 O 0.3731(6) 0.4236(5) 0.0667(4) 0.0344(18) Uani 1 1 d . . .
O2 O 0.1130(8) 0.9466(6) 0.4108(5) 0.0622(17) 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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.385 5.5486 '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'
O O 0.0106 0.006 '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
_geom_angle_publ_flag
N1 C1 C2 118.2(9) . . ?
N1 C1 Sn1 120.0(7) . . ?
C2 C1 Sn1 121.5(8) . . ?
C1 C2 C3 122.2(11) . . ?
C1 C2 H2 118.9 . . ?
C3 C2 H2 118.9 . . ?
C4 C3 C2 119.0(10) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C5 C4 C3 116.5(10) . . ?
C5 C4 C6 120.9(11) . . ?
C3 C4 C6 122.5(11) . . ?
N1 C5 C4 124.1(11) . . ?
N1 C5 H5 117.9 . . ?
C4 C5 H5 117.9 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 C8 118.2(9) . . ?
N2 C7 Sn1 120.4(7) . . ?
C8 C7 Sn1 121.3(7) . . ?
C7 C8 C9 121.1(10) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C10 C9 C8 121.1(10) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C9 C10 C11 114.9(10) . . ?
C9 C10 C12 122.9(11) . . ?
C11 C10 C12 122.1(11) . . ?
N2 C11 C10 125.9(11) . . ?
N2 C11 H11 117 . . ?
C10 C11 H11 117 . . ?
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 . . ?
N3 C13 C14 119.7(9) . . ?
N3 C13 Sn1 119.1(7) . . ?
C14 C13 Sn1 121.2(7) . . ?
C15 C14 C13 120.3(10) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 120.8(10) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C15 C16 C17 115.4(9) . . ?
C15 C16 C18 123.5(9) . . ?
C17 C16 C18 121.0(10) . . ?
N3 C17 C16 126.0(11) . . ?
N3 C17 H17 117 . . ?
C16 C17 H17 117 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N4 C19 C20 120.5(8) . . ?
N4 C19 Sn2 118.3(6) . . ?
C20 C19 Sn2 121.1(7) . . ?
C19 C20 C21 120.6(9) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C22 C21 C20 120.5(9) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 115.8(9) . . ?
C21 C22 C24 123.1(9) . . ?
C23 C22 C24 121.1(9) . . ?
N4 C23 C22 126.1(9) . . ?
N4 C23 H23 117 . . ?
C22 C23 H23 117 . . ?
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 . . ?
N5 C25 C26 119.6(9) . . ?
N5 C25 Sn2 120.0(7) . . ?
C26 C25 Sn2 120.1(8) . . ?
C27 C26 C25 119.9(10) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C28 C27 C26 120.1(10) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C29 C28 C27 116.9(10) . . ?
C29 C28 C30 121.8(11) . . ?
C27 C28 C30 121.3(11) . . ?
N5 C29 C28 124.7(11) . . ?
N5 C29 H29 117.6 . . ?
C28 C29 H29 117.6 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N6 C31 C32 120.5(9) . . ?
N6 C31 Sn2 118.9(7) . . ?
C32 C31 Sn2 120.6(8) . . ?
C33 C32 C31 120.3(11) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.9 . . ?
C32 C33 C34 120.0(10) . . ?
C32 C33 H33 120 . . ?
C34 C33 H33 120 . . ?
C33 C34 C35 117.3(10) . . ?
C33 C34 C36 123.7(11) . . ?
C35 C34 C36 118.9(12) . . ?
N6 C35 C34 124.0(11) . . ?
N6 C35 H35 118 . . ?
C34 C35 H35 118 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O1 C37 C38 106.5(9) . . ?
O1 C37 H37A 110.4 . . ?
C38 C37 H37A 110.4 . . ?
O1 C37 H37B 110.4 . . ?
C38 C37 H37B 110.4 . . ?
H37A C37 H37B 108.6 . . ?
C39 C38 C37 102.2(10) . . ?
C39 C38 H38A 111.3 . . ?
C37 C38 H38A 111.3 . . ?
C39 C38 H38B 111.3 . . ?
C37 C38 H38B 111.3 . . ?
H38A C38 H38B 109.2 . . ?
C38 C39 C40 104.2(9) . . ?
C38 C39 H39A 110.9 . . ?
C40 C39 H39A 110.9 . . ?
C38 C39 H39B 110.9 . . ?
C40 C39 H39B 110.9 . . ?
H39A C39 H39B 108.9 . . ?
O1 C40 C39 104.4(9) . . ?
O1 C40 H40A 110.9 . . ?
C39 C40 H40A 110.9 . . ?
O1 C40 H40B 110.9 . . ?
C39 C40 H40B 110.9 . . ?
H40A C40 H40B 108.9 . . ?
O2 C41 C42 104.9(12) . . ?
O2 C41 H41A 110.8 . . ?
C42 C41 H41A 110.8 . . ?
O2 C41 H41B 110.8 . . ?
C42 C41 H41B 110.8 . . ?
H41A C41 H41B 108.8 . . ?
C43 C42 C41 106.4(12) . . ?
C43 C42 H42A 110.4 . . ?
C41 C42 H42A 110.4 . . ?
C43 C42 H42B 110.4 . . ?
C41 C42 H42B 110.4 . . ?
H42A C42 H42B 108.6 . . ?
C42 C43 C44 105.1(12) . . ?
C42 C43 H43A 110.7 . . ?
C44 C43 H43A 110.7 . . ?
C42 C43 H43B 110.7 . . ?
C44 C43 H43B 110.7 . . ?
H43A C43 H43B 108.8 . . ?
O2 C44 C43 106.6(12) . . ?
O2 C44 H44A 110.4 . . ?
C43 C44 H44A 110.4 . . ?
O2 C44 H44B 110.4 . . ?
C43 C44 H44B 110.4 . . ?
H44A C44 H44B 108.6 . . ?
C46 C45 C49 105.1(10) . . ?
C46 C45 Yb1 72.9(6) . . ?
C49 C45 Yb1 74.7(6) . . ?
C46 C45 H45 127.4 . . ?
C49 C45 H45 127.4 . . ?
Yb1 C45 H45 117.3 . . ?
C47 C46 C45 110.2(10) . . ?
C47 C46 Yb1 72.3(6) . . ?
C45 C46 Yb1 77.1(6) . . ?
C47 C46 H46 124.9 . . ?
C45 C46 H46 124.9 . . ?
Yb1 C46 H46 117.4 . . ?
C46 C47 C48 108.0(10) . . ?
C46 C47 Yb1 77.4(6) . . ?
C48 C47 Yb1 76.5(6) . . ?
C46 C47 H47 126 . . ?
C48 C47 H47 126 . . ?
Yb1 C47 H47 112.5 . . ?
C49 C48 C47 105.8(10) . . ?
C49 C48 Yb1 77.2(6) . . ?
C47 C48 Yb1 72.3(6) . . ?
C49 C48 H48 127.1 . . ?
C47 C48 H48 127.1 . . ?
Yb1 C48 H48 115.8 . . ?
C48 C49 C45 110.7(10) . . ?
C48 C49 Yb1 72.8(6) . . ?
C45 C49 Yb1 75.4(6) . . ?
C48 C49 H49 124.6 . . ?
C45 C49 H49 124.6 . . ?
Yb1 C49 H49 118.8 . . ?
C51 C50 C54 106.3(10) . . ?
C51 C50 Yb1 76.4(6) . . ?
C54 C50 Yb1 72.1(6) . . ?
C51 C50 H50 126.8 . . ?
C54 C50 H50 126.8 . . ?
Yb1 C50 H50 116.8 . . ?
C52 C51 C50 110.1(10) . . ?
C52 C51 Yb1 75.2(6) . . ?
C50 C51 Yb1 74.0(6) . . ?
C52 C51 H51 124.9 . . ?
C50 C51 H51 124.9 . . ?
Yb1 C51 H51 117.6 . . ?
C51 C52 C53 107.6(10) . . ?
C51 C52 Yb1 75.6(6) . . ?
C53 C52 Yb1 72.9(6) . . ?
C51 C52 H52 126.2 . . ?
C53 C52 H52 126.2 . . ?
Yb1 C52 H52 117.4 . . ?
C52 C53 C54 107.2(11) . . ?
C52 C53 Yb1 77.3(6) . . ?
C54 C53 Yb1 73.1(6) . . ?
C52 C53 H53 126.4 . . ?
C54 C53 H53 126.4 . . ?
Yb1 C53 H53 115.5 . . ?
C50 C54 C53 108.7(11) . . ?
C50 C54 Yb1 77.7(6) . . ?
C53 C54 Yb1 76.2(6) . . ?
C50 C54 H54 125.6 . . ?
C53 C54 H54 125.6 . . ?
Yb1 C54 H54 112.8 . . ?
C59 C55 C56 103.4(11) . . ?
C59 C55 Yb1 77.7(7) . . ?
C56 C55 Yb1 73.0(7) . . ?
C59 C55 H55 128.3 . . ?
C56 C55 H55 128.3 . . ?
Yb1 C55 H55 114.1 . . ?
C57 C56 C55 111.2(11) . . ?
C57 C56 Yb1 77.8(7) . . ?
C55 C56 Yb1 75.9(7) . . ?
C57 C56 H56 124.4 . . ?
C55 C56 H56 124.4 . . ?
Yb1 C56 H56 113.7 . . ?
C56 C57 C58 107.6(12) . . ?
C56 C57 Yb1 72.6(7) . . ?
C58 C57 Yb1 77.8(7) . . ?
C56 C57 H57 126.2 . . ?
C58 C57 H57 126.2 . . ?
Yb1 C57 H57 115.6 . . ?
C59 C58 C57 107.5(11) . . ?
C59 C58 Yb1 74.6(7) . . ?
C57 C58 Yb1 72.6(6) . . ?
C59 C58 H58 126.2 . . ?
C57 C58 H58 126.2 . . ?
Yb1 C58 H58 118.5 . . ?
C58 C59 C55 110.3(12) . . ?
C58 C59 Yb1 76.2(7) . . ?
C55 C59 Yb1 72.1(6) . . ?
C58 C59 H59 124.8 . . ?
C55 C59 H59 124.8 . . ?
Yb1 C59 H59 118.5 . . ?
C61 C60 C64 108.3(10) . . ?
C61 C60 Yb2 74.9(6) . . ?
C64 C60 Yb2 72.8(5) . . ?
C61 C60 H60 125.8 . . ?
C64 C60 H60 125.8 . . ?
Yb2 C60 H60 118.3 . . ?
C60 C61 C62 108.8(10) . . ?
C60 C61 Yb2 75.5(6) . . ?
C62 C61 Yb2 73.3(6) . . ?
C60 C61 H61 125.6 . . ?
C62 C61 H61 125.6 . . ?
Yb2 C61 H61 117.5 . . ?
C61 C62 C63 106.6(9) . . ?
C61 C62 Yb2 76.8(6) . . ?
C63 C62 Yb2 72.7(5) . . ?
C61 C62 H62 126.7 . . ?
C63 C62 H62 126.7 . . ?
Yb2 C62 H62 116.1 . . ?
C64 C63 C62 108.6(9) . . ?
C64 C63 Yb2 76.5(5) . . ?
C62 C63 Yb2 76.5(6) . . ?
C64 C63 H63 125.7 . . ?
C62 C63 H63 125.7 . . ?
Yb2 C63 H63 113.6 . . ?
C63 C64 C60 107.7(10) . . ?
C63 C64 Yb2 73.1(5) . . ?
C60 C64 Yb2 77.4(6) . . ?
C63 C64 H64 126.1 . . ?
C60 C64 H64 126.1 . . ?
Yb2 C64 H64 115.5 . . ?
C69 C65 C66 105.0(8) . . ?
C69 C65 Yb2 75.4(5) . . ?
C66 C65 Yb2 72.8(6) . . ?
C69 C65 H65 127.5 . . ?
C66 C65 H65 127.5 . . ?
Yb2 C65 H65 116.7 . . ?
C67 C66 C65 110.3(9) . . ?
C67 C66 Yb2 72.9(6) . . ?
C65 C66 Yb2 76.5(6) . . ?
C67 C66 H66 124.8 . . ?
C65 C66 H66 124.8 . . ?
Yb2 C66 H66 117.5 . . ?
C66 C67 C68 106.6(9) . . ?
C66 C67 Yb2 76.8(6) . . ?
C68 C67 Yb2 76.7(6) . . ?
C66 C67 H67 126.7 . . ?
C68 C67 H67 126.7 . . ?
Yb2 C67 H67 112.6 . . ?
C69 C68 C67 107.9(8) . . ?
C69 C68 Yb2 76.9(4) . . ?
C67 C68 Yb2 72.4(5) . . ?
C69 C68 H68 126 . . ?
C67 C68 H68 126 . . ?
Yb2 C68 H68 116.8 . . ?
C68 C69 C65 110.1(7) . . ?
C68 C69 Yb2 73.3(4) . . ?
C65 C69 Yb2 74.9(4) . . ?
C68 C69 H69 125 . . ?
C65 C69 H69 125 . . ?
Yb2 C69 H69 118.6 . . ?
C74 C70 C71 108 . . ?
C74 C70 Yb2 75.38(8) . . ?
C71 C70 Yb2 72.05(8) . . ?
C74 C70 H70 126 . . ?
C71 C70 H70 126 . . ?
Yb2 C70 H70 118.5 . . ?
C72 C71 C70 108 . . ?
C72 C71 Yb2 73.11(9) . . ?
C70 C71 Yb2 77.59(9) . . ?
C72 C71 H71 126 . . ?
C70 C71 H71 126 . . ?
Yb2 C71 H71 115.5 . . ?
C71 C72 C73 108 . . ?
C71 C72 Yb2 75.88(9) . . ?
C73 C72 Yb2 76.50(8) . . ?
C71 C72 H72 126 . . ?
C73 C72 H72 126 . . ?
Yb2 C72 H72 114 . . ?
C74 C73 C72 108 . . ?
C74 C73 Yb2 77.43(9) . . ?
C72 C73 Yb2 72.58(9) . . ?
C74 C73 H73 126 . . ?
C72 C73 H73 126 . . ?
Yb2 C73 H73 116.1 . . ?
C73 C74 C70 108 . . ?
C73 C74 Yb2 72.34(9) . . ?
C70 C74 Yb2 74.68(9) . . ?
C73 C74 H74 126 . . ?
C70 C74 H74 126 . . ?
Yb2 C74 H74 118.9 . . ?
C5 N1 C1 120.0(9) . . ?
C5 N1 Li1 124.8(9) . . ?
C1 N1 Li1 115.2(8) . . ?
C11 N2 C7 118.8(9) . . ?
C11 N2 Li1 126.7(9) . . ?
C7 N2 Li1 114.3(8) . . ?
C17 N3 C13 117.7(9) . . ?
C17 N3 Li1 126.3(9) . . ?
C13 N3 Li1 115.8(8) . . ?
C23 N4 C19 116.5(8) . . ?
C23 N4 Li2 129.4(8) . . ?
C19 N4 Li2 113.1(8) . . ?
C29 N5 C25 118.5(9) . . ?
C29 N5 Li2 128.8(9) . . ?
C25 N5 Li2 112.7(8) . . ?
C35 N6 C31 117.9(9) . . ?
C35 N6 Li2 126.8(9) . . ?
C31 N6 Li2 114.2(8) . . ?
C1 Sn1 C7 93.3(3) . . ?
C1 Sn1 C13 97.2(3) . . ?
C7 Sn1 C13 96.9(3) . . ?
C1 Sn1 Yb1 122.8(3) . . ?
C7 Sn1 Yb1 120.7(2) . . ?
C13 Sn1 Yb1 119.6(3) . . ?
C1 Sn1 Li1 58.9(4) . . ?
C7 Sn1 Li1 58.9(4) . . ?
C13 Sn1 Li1 59.0(4) . . ?
Yb1 Sn1 Li1 178.2(3) . . ?
C25 Sn2 C19 97.7(4) . . ?
C25 Sn2 C31 93.2(3) . . ?
C19 Sn2 C31 97.0(4) . . ?
C25 Sn2 Yb2 122.4(3) . . ?
C19 Sn2 Yb2 118.8(3) . . ?
C31 Sn2 Yb2 121.6(3) . . ?
C25 Sn2 Li2 58.6(4) . . ?
C19 Sn2 Li2 59.6(4) . . ?
C31 Sn2 Li2 59.0(4) . . ?
Yb2 Sn2 Li2 178.4(3) . . ?
C56 Yb1 C47 90.9(4) . . ?
C56 Yb1 C54 96.6(4) . . ?
C47 Yb1 C54 96.5(3) . . ?
C56 Yb1 C55 31.1(4) . . ?
C47 Yb1 C55 120.9(4) . . ?
C54 Yb1 C55 99.7(4) . . ?
C56 Yb1 C53 75.0(4) . . ?
C47 Yb1 C53 117.7(4) . . ?
C54 Yb1 C53 30.7(3) . . ?
C55 Yb1 C53 69.9(3) . . ?
C56 Yb1 C57 29.6(3) . . ?
C47 Yb1 C57 72.3(4) . . ?
C54 Yb1 C57 120.6(4) . . ?
C55 Yb1 C57 50.6(4) . . ?
C53 Yb1 C57 104.0(4) . . ?
C56 Yb1 C48 100.8(4) . . ?
C47 Yb1 C48 31.1(3) . . ?
C54 Yb1 C48 123.8(3) . . ?
C55 Yb1 C48 121.6(4) . . ?
C53 Yb1 C48 148.8(4) . . ?
C57 Yb1 C48 73.0(4) . . ?
C56 Yb1 C46 112.9(4) . . ?
C47 Yb1 C46 30.2(3) . . ?
C54 Yb1 C46 73.8(3) . . ?
C55 Yb1 C46 143.6(4) . . ?
C53 Yb1 C46 102.1(3) . . ?
C57 Yb1 C46 101.1(4) . . ?
C48 Yb1 C46 50.2(3) . . ?
C56 Yb1 C50 124.3(3) . . ?
C47 Yb1 C50 105.7(3) . . ?
C54 Yb1 C50 30.2(3) . . ?
C55 Yb1 C50 116.3(4) . . ?
C53 Yb1 C50 50.0(3) . . ?
C57 Yb1 C50 150.7(3) . . ?
C48 Yb1 C50 120.8(3) . . ?
C46 Yb1 C50 76.1(3) . . ?
C56 Yb1 C52 88.3(4) . . ?
C47 Yb1 C52 145.6(3) . . ?
C54 Yb1 C52 49.6(3) . . ?
C55 Yb1 C52 68.6(4) . . ?
C53 Yb1 C52 29.9(3) . . ?
C57 Yb1 C52 116.7(4) . . ?
C48 Yb1 C52 169.8(4) . . ?
C46 Yb1 C52 121.9(3) . . ?
C50 Yb1 C52 49.2(3) . . ?
C56 Yb1 C59 48.8(4) . . ?
C47 Yb1 C59 117.1(3) . . ?
C54 Yb1 C59 128.6(3) . . ?
C55 Yb1 C59 30.2(3) . . ?
C53 Yb1 C59 98.0(3) . . ?
C57 Yb1 C59 48.7(4) . . ?
C48 Yb1 C59 102.0(3) . . ?
C46 Yb1 C59 147.3(3) . . ?
C50 Yb1 C59 135.9(4) . . ?
C52 Yb1 C59 87.5(4) . . ?
C56 Yb1 C51 117.4(4) . . ?
C47 Yb1 C51 134.8(3) . . ?
C54 Yb1 C51 48.9(3) . . ?
C55 Yb1 C51 96.1(4) . . ?
C53 Yb1 C51 48.8(3) . . ?
C57 Yb1 C51 145.7(4) . . ?
C48 Yb1 C51 141.2(4) . . ?
C46 Yb1 C51 104.7(3) . . ?
C50 Yb1 C51 29.5(3) . . ?
C52 Yb1 C51 29.1(3) . . ?
C59 Yb1 C51 107.9(4) . . ?
C67 Yb2 C63 93.2(3) . . ?
C67 Yb2 C72 93.1(3) . . ?
C63 Yb2 C72 92.7(3) . . ?
C67 Yb2 C71 122.3(3) . . ?
C63 Yb2 C71 99.7(3) . . ?
C72 Yb2 C71 31 . . ?
C67 Yb2 C66 30.3(3) . . ?
C63 Yb2 C66 73.9(3) . . ?
C72 Yb2 C66 116.5(2) . . ?
C71 Yb2 C66 147.5(2) . . ?
C67 Yb2 C64 116.5(3) . . ?
C63 Yb2 C64 30.4(3) . . ?
C72 Yb2 C64 72.9(2) . . ?
C71 Yb2 C64 70.9(2) . . ?
C66 Yb2 C64 103.4(3) . . ?
C67 Yb2 C62 100.4(3) . . ?
C63 Yb2 C62 30.8(3) . . ?
C72 Yb2 C62 121.8(2) . . ?
C71 Yb2 C62 118.7(2) . . ?
C66 Yb2 C62 71.8(3) . . ?
C64 Yb2 C62 50.3(3) . . ?
C67 Yb2 C68 30.9(3) . . ?
C63 Yb2 C68 122.2(3) . . ?
C72 Yb2 C68 101.0(2) . . ?
C71 Yb2 C68 120.1(2) . . ?
C66 Yb2 C68 49.6(3) . . ?
C64 Yb2 C68 147.4(3) . . ?
C62 Yb2 C68 118.8(3) . . ?
C67 Yb2 C73 73.2(2) . . ?
C63 Yb2 C73 116.6(3) . . ?
C72 Yb2 C73 30.9 . . ?
C71 Yb2 C73 50.76(7) . . ?
C66 Yb2 C73 102.7(2) . . ?
C64 Yb2 C73 103.0(2) . . ?
C62 Yb2 C73 147.4(3) . . ?
C68 Yb2 C73 71.8(2) . . ?
C67 Yb2 C65 51.1(3) . . ?
C63 Yb2 C65 88.6(3) . . ?
C72 Yb2 C65 144.2(2) . . ?
C71 Yb2 C65 170.0(2) . . ?
C66 Yb2 C65 30.6(3) . . ?
C64 Yb2 C65 118.2(3) . . ?
C62 Yb2 C65 71.2(3) . . ?
C68 Yb2 C65 50.1(3) . . ?
C73 Yb2 C65 120.5(2) . . ?
C67 Yb2 C61 129.6(3) . . ?
C63 Yb2 C61 49.7(3) . . ?
C72 Yb2 C61 117.6(3) . . ?
C71 Yb2 C61 99.5(3) . . ?
C66 Yb2 C61 99.8(3) . . ?
C64 Yb2 C61 49.4(3) . . ?
C62 Yb2 C61 29.9(3) . . ?
C68 Yb2 C61 139.8(3) . . ?
C73 Yb2 C61 148.1(3) . . ?
C65 Yb2 C61 90.0(3) . . ?
C67 Yb2 C69 50.2(3) . . ?
C63 Yb2 C69 118.0(2) . . ?
C72 Yb2 C69 130.15(15) . . ?
C71 Yb2 C69 140.93(15) . . ?
C66 Yb2 C69 49.0(2) . . ?
C64 Yb2 C69 147.9(2) . . ?
C62 Yb2 C69 99.8(2) . . ?
C68 Yb2 C69 29.8(2) . . ?
C73 Yb2 C69 99.72(13) . . ?
C65 Yb2 C69 29.8(2) . . ?
C61 Yb2 C69 112.1(3) . . ?
O1 Li1 N2 118.8(8) . . ?
O1 Li1 N3 103.8(8) . . ?
N2 Li1 N3 107.1(8) . . ?
O1 Li1 N1 119.7(8) . . ?
N2 Li1 N1 100.8(7) . . ?
N3 Li1 N1 105.6(8) . . ?
O1 Li1 Sn1 169.6(7) . . ?
N2 Li1 Sn1 66.4(5) . . ?
N3 Li1 Sn1 65.8(5) . . ?
N1 Li1 Sn1 65.7(5) . . ?
O2 Li2 N6 120.1(9) . . ?
O2 Li2 N5 116.2(9) . . ?
N6 Li2 N5 101.7(8) . . ?
O2 Li2 N4 102.2(8) . . ?
N6 Li2 N4 109.5(8) . . ?
N5 Li2 N4 106.5(8) . . ?
O2 Li2 Sn2 168.9(8) . . ?
N6 Li2 Sn2 67.4(5) . . ?
N5 Li2 Sn2 67.5(5) . . ?
N4 Li2 Sn2 66.8(5) . . ?
C37 O1 C40 109.1(8) . . ?
C37 O1 Li1 125.5(8) . . ?
C40 O1 Li1 119.2(8) . . ?
C41 O2 C44 109.0(10) . . ?
C41 O2 Li2 122.5(9) . . ?
C44 O2 Li2 119.2(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.347(13) . ?
C1 C2 1.386(13) . ?
C1 Sn1 2.194(10) . ?
C2 C3 1.387(14) . ?
C2 H2 0.95 . ?
C3 C4 1.385(15) . ?
C3 H3 0.95 . ?
C4 C5 1.385(14) . ?
C4 C6 1.493(14) . ?
C5 N1 1.345(12) . ?
C5 H5 0.95 . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
C7 N2 1.370(12) . ?
C7 C8 1.376(13) . ?
C7 Sn1 2.196(9) . ?
C8 C9 1.391(14) . ?
C8 H8 0.95 . ?
C9 C10 1.360(15) . ?
C9 H9 0.95 . ?
C10 C11 1.384(15) . ?
C10 C12 1.499(14) . ?
C11 N2 1.329(12) . ?
C11 H11 0.95 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 N3 1.350(13) . ?
C13 C14 1.387(13) . ?
C13 Sn1 2.208(9) . ?
C14 C15 1.374(13) . ?
C14 H14 0.95 . ?
C15 C16 1.365(14) . ?
C15 H15 0.95 . ?
C16 C17 1.372(14) . ?
C16 C18 1.485(13) . ?
C17 N3 1.339(12) . ?
C17 H17 0.95 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 N4 1.364(12) . ?
C19 C20 1.387(12) . ?
C19 Sn2 2.204(9) . ?
C20 C21 1.387(13) . ?
C20 H20 0.95 . ?
C21 C22 1.368(14) . ?
C21 H21 0.95 . ?
C22 C23 1.384(13) . ?
C22 C24 1.494(13) . ?
C23 N4 1.362(12) . ?
C23 H23 0.95 . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?
C25 N5 1.355(12) . ?
C25 C26 1.408(13) . ?
C25 Sn2 2.202(10) . ?
C26 C27 1.386(14) . ?
C26 H26 0.95 . ?
C27 C28 1.378(15) . ?
C27 H27 0.95 . ?
C28 C29 1.377(14) . ?
C28 C30 1.505(14) . ?
C29 N5 1.348(12) . ?
C29 H29 0.95 . ?
C30 H30A 0.98 . ?
C30 H30B 0.98 . ?
C30 H30C 0.98 . ?
C31 N6 1.353(12) . ?
C31 C32 1.399(13) . ?
C31 Sn2 2.217(9) . ?
C32 C33 1.365(13) . ?
C32 H32 0.95 . ?
C33 C34 1.365(16) . ?
C33 H33 0.95 . ?
C34 C35 1.396(15) . ?
C34 C36 1.507(14) . ?
C35 N6 1.339(12) . ?
C35 H35 0.95 . ?
C36 H36A 0.98 . ?
C36 H36B 0.98 . ?
C36 H36C 0.98 . ?
C37 O1 1.430(12) . ?
C37 C38 1.498(15) . ?
C37 H37A 0.99 . ?
C37 H37B 0.99 . ?
C38 C39 1.476(16) . ?
C38 H38A 0.99 . ?
C38 H38B 0.99 . ?
C39 C40 1.534(15) . ?
C39 H39A 0.99 . ?
C39 H39B 0.99 . ?
C40 O1 1.458(12) . ?
C40 H40A 0.99 . ?
C40 H40B 0.99 . ?
C41 O2 1.411(14) . ?
C41 C42 1.496(17) . ?
C41 H41A 0.99 . ?
C41 H41B 0.99 . ?
C42 C43 1.404(18) . ?
C42 H42A 0.99 . ?
C42 H42B 0.99 . ?
C43 C44 1.477(18) . ?
C43 H43A 0.99 . ?
C43 H43B 0.99 . ?
C44 O2 1.438(15) . ?
C44 H44A 0.99 . ?
C44 H44B 0.99 . ?
C45 C46 1.413(15) . ?
C45 C49 1.419(16) . ?
C45 Yb1 2.757(10) . ?
C45 H45 0.95 . ?
C46 C47 1.395(14) . ?
C46 Yb1 2.704(10) . ?
C46 H46 0.95 . ?
C47 C48 1.432(15) . ?
C47 Yb1 2.639(10) . ?
C47 H47 0.95 . ?
C48 C49 1.411(16) . ?
C48 Yb1 2.693(10) . ?
C48 H48 0.95 . ?
C49 Yb1 2.749(10) . ?
C49 H49 0.95 . ?
C50 C51 1.389(15) . ?
C50 C54 1.396(15) . ?
C50 Yb1 2.710(10) . ?
C50 H50 0.95 . ?
C51 C52 1.378(15) . ?
C51 Yb1 2.741(9) . ?
C51 H51 0.95 . ?
C52 C53 1.397(16) . ?
C52 Yb1 2.735(10) . ?
C52 H52 0.95 . ?
C53 C54 1.407(15) . ?
C53 Yb1 2.680(10) . ?
C53 H53 0.95 . ?
C54 Yb1 2.641(9) . ?
C54 H54 0.95 . ?
C55 C59 1.409(15) . ?
C55 C56 1.418(16) . ?
C55 Yb1 2.665(11) . ?
C55 H55 0.95 . ?
C56 C57 1.358(15) . ?
C56 Yb1 2.627(11) . ?
C56 H56 0.95 . ?
C57 C58 1.393(16) . ?
C57 Yb1 2.691(11) . ?
C57 H57 0.95 . ?
C58 C59 1.383(16) . ?
C58 Yb1 2.756(11) . ?
C58 H58 0.95 . ?
C59 Yb1 2.736(11) . ?
C59 H59 0.95 . ?
C60 C61 1.391(15) . ?
C60 C64 1.392(14) . ?
C60 Yb2 2.733(9) . ?
C60 H60 0.95 . ?
C61 C62 1.395(15) . ?
C61 Yb2 2.726(9) . ?
C61 H61 0.95 . ?
C62 C63 1.414(14) . ?
C62 Yb2 2.681(9) . ?
C62 H62 0.95 . ?
C63 C64 1.391(14) . ?
C63 Yb2 2.633(9) . ?
C63 H63 0.95 . ?
C64 Yb2 2.676(9) . ?
C64 H64 0.95 . ?
C65 C69 1.400(10) . ?
C65 C66 1.427(14) . ?
C65 Yb2 2.722(10) . ?
C65 H65 0.95 . ?
C66 C67 1.387(14) . ?
C66 Yb2 2.675(10) . ?
C66 H66 0.95 . ?
C67 C68 1.417(13) . ?
C67 Yb2 2.627(10) . ?
C67 H67 0.95 . ?
C68 C69 1.393(11) . ?
C68 Yb2 2.683(9) . ?
C68 H68 0.95 . ?
C69 Yb2 2.729(4) . ?
C69 H69 0.95 . ?
C70 C74 1.42 . ?
C70 C71 1.42 . ?
C70 Yb2 2.744(4) . ?
C70 H70 0.95 . ?
C71 C72 1.4199 . ?
C71 Yb2 2.673(4) . ?
C71 H71 0.95 . ?
C72 C73 1.42 . ?
C72 Yb2 2.637(4) . ?
C72 H72 0.95 . ?
C73 C74 1.42 . ?
C73 Yb2 2.688(4) . ?
C73 H73 0.95 . ?
C74 Yb2 2.753(4) . ?
C74 H74 0.95 . ?
N1 Li1 2.037(17) . ?
N2 Li1 2.031(17) . ?
N3 Li1 2.033(17) . ?
N4 Li2 2.04(2) . ?
N5 Li2 2.017(17) . ?
N6 Li2 2.012(18) . ?
Sn1 Yb1 3.0740(9) . ?
Sn1 Li1 3.317(16) . ?
Sn2 Yb2 3.0644(9) . ?
Sn2 Li2 3.262(17) . ?
Li1 O1 1.955(18) . ?
Li2 O2 1.979(19) . ?
