#------------------------------------------------------------------------------
#$Date: 2021-06-05 21:46:37 +0300 (Sat, 05 Jun 2021) $
#$Revision: 266060 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/68/7706809.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_7706809
loop_
_publ_author_name
'Weiß, Sebastian'
'Widemann, Max'
'Eichele, Klaus'
'Schubert, Hartmut'
'Wesemann, Lars'
_publ_section_title
;
 Low valent lead and tin hydrides in reactions with heteroallenes.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4952
_journal_page_last               4958
_journal_paper_doi               10.1039/d1dt00542a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C73 H100 S2 Sn2'
_chemical_formula_sum            'C73 H100 S2 Sn2'
_chemical_formula_weight         1279.08
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-03-08 deposited with the CCDC.	2021-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.9830(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.3777(3)
_cell_length_b                   24.2581(4)
_cell_length_c                   18.4918(3)
_cell_measurement_reflns_used    9831
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.04
_cell_measurement_theta_min      3.62
_cell_volume                     6893.9(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    Mercury
_computing_publication_material  Platon,Wingx,Shelxle
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0479
_diffrn_reflns_av_unetI/netI     0.0713
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            74581
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.906
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.193
_diffrn_reflns_theta_min         3.036
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.823
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6974
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.232
_exptl_crystal_description       prism
_exptl_crystal_F_000             2680
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.813
_refine_diff_density_min         -0.479
_refine_diff_density_rms         0.069
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.459(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1514
_refine_ls_number_reflns         33864
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0183P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0718
_refine_ls_wR_factor_ref         0.0759
_reflns_Friedel_coverage         0.784
_reflns_Friedel_fraction_full    0.917
_reflns_Friedel_fraction_max     0.815
_reflns_number_gt                28061
_reflns_number_total             33864
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00542a2.cif
_cod_data_source_block           MW113_0m_a
_cod_depositor_comments
'Adding full bibliography for 7706807--7706812.cif.'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7706809
_shelx_shelxl_version_number     2018/3
_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+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.86634(4) 0.56106(2) 0.57599(3) 0.01765(11) Uani 0.924(2) 1 d D . P A 5
HN1A H 0.8464(2) 0.6029(4) 0.6389(7) 0.021 Uiso 0.924(2) 1 calc DR U P A 5
HN1B H 0.9040(4) 0.5067(6) 0.6124(4) 0.021 Uiso 0.924(2) 1 calc DR U P A 5
Sn2 Sn 0.57850(3) 0.51597(2) 0.43672(3) 0.01777(12) Uani 0.924(2) 1 d . . P A 5
S1 S 0.67476(7) 0.59260(5) 0.49613(7) 0.0229(3) Uani 0.924(2) 1 d . . P A 5
S2 S 0.71549(7) 0.47544(5) 0.50768(6) 0.0201(3) Uani 0.924(2) 1 d . . P A 5
Sn3 Sn 0.8918(5) 0.5452(3) 0.5927(4) 0.0213(14) Uani 0.076(2) 1 d . . P A 6
S3 S 0.7878(10) 0.4834(6) 0.5095(8) 0.023(4) Uani 0.076(2) 1 d . . P A 6
Sn4 Sn 0.5940(5) 0.5332(3) 0.4590(5) 0.0314(16) Uani 0.076(2) 1 d D . P A 6
HN4G H 0.5769(5) 0.5901(8) 0.4174(7) 0.038 Uiso 0.076(2) 1 calc DR U P A 6
HN4H H 0.6008(5) 0.4869(7) 0.3980(9) 0.038 Uiso 0.076(2) 1 calc DR U P A 6
S4 S 0.7486(10) 0.5969(6) 0.5526(10) 0.034(4) Uani 0.076(2) 1 d . . P A 6
C1 C 0.7442(3) 0.54087(17) 0.5187(2) 0.0207(9) Uani 1 1 d . . . . .
C9 C 0.5271(3) 0.38589(16) 0.5019(2) 0.0197(9) Uani 1 1 d . . . . .
C8 C 0.5179(3) 0.42116(15) 0.5619(2) 0.0167(8) Uani 1 1 d . . . . .
C7 C 0.4539(2) 0.46766(16) 0.55730(18) 0.0142(8) Uani 1 1 d . . . . .
C6 C 0.3754(2) 0.46517(17) 0.5937(2) 0.0175(8) Uani 1 1 d . . . . .
H6 H 0.361907 0.433294 0.620961 0.021 Uiso 1 1 calc R U . . .
C5 C 0.3174(3) 0.50898(18) 0.5901(2) 0.0189(8) Uani 1 1 d . . . . .
H5 H 0.264478 0.507093 0.615033 0.023 Uiso 1 1 calc R U . . .
C10 C 0.5944(3) 0.34715(17) 0.5042(2) 0.0227(9) Uani 1 1 d . . . . .
H10 H 0.601329 0.323756 0.463587 0.027 Uiso 1 1 calc R U . . .
C11 C 0.6514(3) 0.34156(17) 0.5635(2) 0.0246(10) Uani 1 1 d . . . . .
C12 C 0.6390(3) 0.37530(17) 0.6227(2) 0.0230(9) Uani 1 1 d . . . . .
H12 H 0.676233 0.371155 0.664434 0.028 Uiso 1 1 calc R U . . .
C13 C 0.5731(3) 0.41543(16) 0.6232(2) 0.0178(8) Uani 1 1 d . . . . .
C14 C 0.5656(3) 0.45198(17) 0.6899(2) 0.0210(9) Uani 1 1 d . . . . .
H14 H 0.511239 0.474241 0.682998 0.025 Uiso 1 1 calc R U . . .
C15 C 0.6408(3) 0.4921(2) 0.6976(2) 0.0307(11) Uani 1 1 d . . . . .
H15A H 0.695716 0.471690 0.700663 0.046 Uiso 1 1 calc R U . . .
H15B H 0.634707 0.514124 0.741569 0.046 Uiso 1 1 calc R U . . .
H15C H 0.640480 0.516618 0.655387 0.046 Uiso 1 1 calc R U . . .
C16 C 0.5558(3) 0.41740(19) 0.7580(2) 0.0263(10) Uani 1 1 d . . . . .
H16A H 0.505139 0.393137 0.751733 0.040 Uiso 1 1 calc R U . . .
H16B H 0.547665 0.441788 0.799512 0.040 Uiso 1 1 calc R U . . .
H16C H 0.608232 0.395068 0.766622 0.040 Uiso 1 1 calc R U . . .
C17 C 0.7261(3) 0.30053(19) 0.5644(3) 0.0348(12) Uani 1 1 d . . . . .
H17 H 0.724655 0.281114 0.516652 0.042 Uiso 1 1 calc R U . . .
C19 C 0.7166(4) 0.2571(2) 0.6234(4) 0.0589(17) Uani 1 1 d . . . . .
H19A H 0.664346 0.234964 0.612748 0.088 Uiso 1 1 calc R U . . .
H19B H 0.711333 0.275358 0.670285 0.088 Uiso 1 1 calc R U . . .
H19C H 0.767848 0.233099 0.624897 0.088 Uiso 1 1 calc R U . . .
C18 C 0.8141(3) 0.3296(2) 0.5734(3) 0.0417(13) Uani 1 1 d . . . . .
H18A H 0.860986 0.302933 0.566862 0.063 Uiso 1 1 calc R U . . .
H18B H 0.819738 0.345740 0.621898 0.063 Uiso 1 1 calc R U . . .
H18C H 0.817877 0.358897 0.537054 0.063 Uiso 1 1 calc R U . . .
C20 C 0.4617(3) 0.38854(18) 0.4376(2) 0.0229(9) Uani 1 1 d . . . . .
H20 H 0.443851 0.427940 0.431245 0.028 Uiso 1 1 calc R U . . .
C21 C 0.4985(4) 0.3692(2) 0.3663(2) 0.0353(10) Uani 1 1 d . . . . .
H21A H 0.454663 0.374422 0.327141 0.053 Uiso 1 1 calc R U . . .
H21B H 0.513837 0.330115 0.369987 0.053 Uiso 1 1 calc R U . . .
H21C H 0.550501 0.390796 0.356055 0.053 Uiso 1 1 calc R U . . .
C22 C 0.3797(3) 0.3554(2) 0.4543(3) 0.0313(11) Uani 1 1 d . . . . .
H22A H 0.337818 0.357922 0.413244 0.047 Uiso 1 1 calc R U . . .
H22B H 0.353575 0.370332 0.497680 0.047 Uiso 1 1 calc R U . . .
H22C H 0.395449 0.316669 0.462515 0.047 Uiso 1 1 calc R U . . .
C23 C 0.4373(3) 0.60760(16) 0.4676(2) 0.0182(8) Uani 1 1 d . . . . .
C24 C 0.4261(3) 0.60352(17) 0.3918(2) 0.0181(8) Uani 1 1 d . . . . .
C25 C 0.4602(3) 0.64508(18) 0.3490(2) 0.0223(9) Uani 1 1 d . . . . .
H25 H 0.453442 0.642127 0.297892 0.027 Uiso 1 1 calc R U . . .
C26 C 0.5034(3) 0.69033(17) 0.3779(2) 0.0225(9) Uani 1 1 d . . . . .
C27 C 0.5088(3) 0.69522(17) 0.4536(2) 0.0234(9) Uani 1 1 d . . . . .
H27 H 0.535545 0.727006 0.474542 0.028 Uiso 1 1 calc R U . . .
C28 C 0.4760(3) 0.65484(16) 0.4991(2) 0.0196(9) Uani 1 1 d . . . . .
C29 C 0.3740(3) 0.55626(19) 0.3579(2) 0.0216(9) Uani 1 1 d . . . . .
H29 H 0.383940 0.522848 0.388709 0.026 Uiso 1 1 calc R U . . .
C2 C 0.4740(2) 0.51514(18) 0.51711(18) 0.0148(7) Uani 1 1 d . . . . .
C30 C 0.3989(3) 0.5419(2) 0.2816(2) 0.0305(10) Uani 1 1 d . . . . .
H30A H 0.380176 0.571574 0.248558 0.046 Uiso 1 1 calc R U . . .
H30B H 0.370392 0.507406 0.266654 0.046 Uiso 1 1 calc R U . . .
H30C H 0.462128 0.537508 0.280133 0.046 Uiso 1 1 calc R U . . .
C31 C 0.2767(3) 0.5703(2) 0.3584(2) 0.0342(12) Uani 1 1 d . . . . .
H31A H 0.265921 0.604575 0.331504 0.051 Uiso 1 1 calc R U . . .
H31B H 0.259118 0.574991 0.408455 0.051 Uiso 1 1 calc R U . . .
H31C H 0.243035 0.540319 0.335589 0.051 Uiso 1 1 calc R U . . .
C32 C 0.4777(3) 0.66282(18) 0.5804(2) 0.0241(10) Uani 1 1 d . . . . .
H32 H 0.472397 0.625578 0.603059 0.029 Uiso 1 1 calc R U . . .
C33 C 0.5600(3) 0.6896(2) 0.6125(3) 0.0311(11) Uani 1 1 d . . . . .
H33A H 0.610774 0.667728 0.599626 0.047 Uiso 1 1 calc R U . . .
H33B H 0.556666 0.691256 0.665262 0.047 Uiso 1 1 calc R U . . .
H33C H 0.565465 0.726996 0.593141 0.047 Uiso 1 1 calc R U . . .
C34 C 0.3974(3) 0.6969(2) 0.6015(3) 0.0321(11) Uani 1 1 d . . . . .
H34A H 0.399742 0.733355 0.578842 0.048 Uiso 1 1 calc R U . . .
H34B H 0.397325 0.701036 0.654192 0.048 Uiso 1 1 calc R U . . .
H34C H 0.344212 0.677840 0.584729 0.048 Uiso 1 1 calc R U . . .
C35 C 0.5437(3) 0.73171(18) 0.3268(2) 0.0278(10) Uani 1 1 d . . . . .
H35 H 0.500579 0.738181 0.286016 0.033 Uiso 1 1 calc R U . . .
C36 C 0.5647(4) 0.78725(18) 0.3606(3) 0.0346(12) Uani 1 1 d . . . . .
H36A H 0.589544 0.811471 0.324214 0.052 Uiso 1 1 calc R U . . .
H36B H 0.606794 0.782396 0.401061 0.052 Uiso 1 1 calc R U . . .
H36C H 0.511327 0.803824 0.378207 0.052 Uiso 1 1 calc R U . . .
C37 C 0.6246(3) 0.7065(2) 0.2947(3) 0.0320(11) Uani 1 1 d . . . . .
H37A H 0.609824 0.670545 0.273373 0.048 Uiso 1 1 calc R U . . .
H37B H 0.669755 0.701748 0.332832 0.048 Uiso 1 1 calc R U . . .
H37C H 0.646091 0.730958 0.257088 0.048 Uiso 1 1 calc R U . . .
C38 C 0.9650(2) 0.59639(17) 0.5106(2) 0.0166(8) Uani 1 1 d . . . . .
C39 C 0.9897(3) 0.57178(16) 0.4454(2) 0.0172(9) Uani 1 1 d . . . . .
C3 C 0.4139(2) 0.55879(17) 0.51345(19) 0.0153(8) Uani 1 1 d . . . . .
C42 C 1.0716(3) 0.66860(18) 0.4937(2) 0.0241(10) Uani 1 1 d . . . . .
H42 H 1.100236 0.701245 0.510039 0.029 Uiso 1 1 calc R U . . .
C41 C 1.0939(3) 0.64463(19) 0.4285(2) 0.0275(10) Uani 1 1 d . . . . .
H41 H 1.136501 0.661569 0.399925 0.033 Uiso 1 1 calc R U . . .
C40 C 1.0547(3) 0.59679(19) 0.4054(2) 0.0240(9) Uani 1 1 d . . . . .
H40 H 1.071902 0.580291 0.361494 0.029 Uiso 1 1 calc R U . . .
C43 C 1.0075(3) 0.64479(17) 0.5351(2) 0.0186(9) Uani 1 1 d . . . . .
C44 C 0.9863(3) 0.66830(17) 0.6075(2) 0.0192(9) Uani 1 1 d . . . . .
C45 C 1.0284(3) 0.64761(18) 0.6696(2) 0.0205(9) Uani 1 1 d . . . . .
C46 C 1.0023(3) 0.66560(18) 0.7377(2) 0.0241(9) Uani 1 1 d . . . . .
H46 H 1.030705 0.651290 0.780159 0.029 Uiso 1 1 calc R U . . .
C47 C 0.9361(3) 0.70383(18) 0.7443(2) 0.0222(9) Uani 1 1 d . . . . .
C49 C 0.9202(3) 0.70832(17) 0.6127(2) 0.0202(9) Uani 1 1 d . . . . .
C48 C 0.8966(3) 0.72546(19) 0.6814(2) 0.0251(9) Uani 1 1 d . . . . .
H48 H 0.852405 0.752569 0.685414 0.030 Uiso 1 1 calc R U . . .
C4 C 0.3367(3) 0.55594(17) 0.5497(2) 0.0179(8) Uani 1 1 d . . . . .
H4 H 0.296886 0.585872 0.547116 0.021 Uiso 1 1 calc R U . . .
C118 C 0.1794(4) 0.6717(2) 0.9283(3) 0.0448(14) Uani 1 1 d . . . . .
H11A H 0.173783 0.650853 0.882970 0.067 Uiso 1 1 calc R U . . .
H11B H 0.133372 0.699579 0.929514 0.067 Uiso 1 1 calc R U . . .
H11C H 0.174047 0.646473 0.969329 0.067 Uiso 1 1 calc R U . . .
C119 C 0.4258(3) 0.54687(18) 0.8087(2) 0.0266(11) Uani 1 1 d . . . . .
H119 H 0.476798 0.521850 0.817131 0.032 Uiso 1 1 calc R U . . .
C120 C 0.3447(4) 0.5108(2) 0.7960(3) 0.0416(13) Uani 1 1 d . . . . .
H12A H 0.293713 0.534460 0.787358 0.062 Uiso 1 1 calc R U . . .
H12B H 0.336049 0.487826 0.838668 0.062 Uiso 1 1 calc R U . . .
H12C H 0.352632 0.487205 0.753711 0.062 Uiso 1 1 calc R U . . .
C121 C 0.4428(3) 0.58183(19) 0.7419(2) 0.0266(10) Uani 1 1 d . . . . .
H12D H 0.449668 0.557667 0.699999 0.040 Uiso 1 1 calc R U . . .
H12E H 0.495989 0.603445 0.750334 0.040 Uiso 1 1 calc R U . . .
H12F H 0.393548 0.606780 0.732490 0.040 Uiso 1 1 calc R U . . .
C122 C 0.5680(3) 0.39369(17) 1.0308(2) 0.0201(9) Uani 1 1 d . . . . .
C123 C 0.5785(3) 0.39871(17) 1.1069(2) 0.0235(9) Uani 1 1 d . . . . .
C124 C 0.5468(3) 0.35690(18) 1.1504(2) 0.0267(10) Uani 1 1 d . . . . .
H124 H 0.554430 0.360025 1.201441 0.032 Uiso 1 1 calc R U . . .
C125 C 0.5042(3) 0.31066(18) 1.1218(3) 0.0298(11) Uani 1 1 d . . . . .
C126 C 0.4992(3) 0.30477(18) 1.0472(3) 0.0312(11) Uani 1 1 d . . . . .
H126 H 0.473489 0.272407 1.026921 0.037 Uiso 1 1 calc R U . . .
C127 C 0.5311(3) 0.34530(17) 1.0005(2) 0.0245(10) Uani 1 1 d . . . . .
C128 C 0.6248(3) 0.44844(18) 1.1406(2) 0.0224(9) Uani 1 1 d . . . . .
H128 H 0.611543 0.480900 1.108757 0.027 Uiso 1 1 calc R U . . .
C129 C 0.5955(3) 0.4628(2) 1.2163(2) 0.0369(12) Uani 1 1 d . . . . .
H12G H 0.619968 0.498497 1.231026 0.055 Uiso 1 1 calc R U . . .
H12H H 0.615871 0.434288 1.250481 0.055 Uiso 1 1 calc R U . . .
H12I H 0.531836 0.464662 1.216061 0.055 Uiso 1 1 calc R U . . .
C130 C 0.7233(3) 0.4390(2) 1.1406(3) 0.0384(13) Uani 1 1 d . . . . .
H13A H 0.741385 0.433372 1.090869 0.058 Uiso 1 1 calc R U . . .
H13B H 0.738139 0.406286 1.169642 0.058 Uiso 1 1 calc R U . . .
H13C H 0.753328 0.471216 1.161402 0.058 Uiso 1 1 calc R U . . .
C131 C 0.4610(4) 0.27060(19) 1.1735(2) 0.0336(11) Uani 1 1 d . . . . .
H131 H 0.501864 0.265565 1.216276 0.040 Uiso 1 1 calc R U . . .
C132 C 0.4417(4) 0.2140(2) 1.1427(3) 0.0460(14) Uani 1 1 d . . . . .
H13D H 0.397229 0.216982 1.103611 0.069 Uiso 1 1 calc R U . . .
H13E H 0.420293 0.190017 1.180898 0.069 Uiso 1 1 calc R U . . .
H13F H 0.494895 0.198236 1.123637 0.069 Uiso 1 1 calc R U . . .
C133 C 0.3780(4) 0.2967(2) 1.2011(3) 0.0416(13) Uani 1 1 d . . . . .
H13G H 0.335178 0.300488 1.160848 0.062 Uiso 1 1 calc R U . . .
H13H H 0.391434 0.333128 1.221377 0.062 Uiso 1 1 calc R U . . .
H13I H 0.354040 0.273155 1.238580 0.062 Uiso 1 1 calc R U . . .
C134 C 0.5294(3) 0.33657(18) 0.9188(2) 0.0271(10) Uani 1 1 d . . . . .
H134 H 0.535742 0.373650 0.895987 0.032 Uiso 1 1 calc R U . . .
C135 C 0.4448(3) 0.3116(2) 0.8883(3) 0.0355(12) Uani 1 1 d . . . . .
H13J H 0.446369 0.310049 0.835427 0.053 Uiso 1 1 calc R U . . .
H13K H 0.395583 0.334440 0.902408 0.053 Uiso 1 1 calc R U . . .
H13L H 0.437945 0.274248 0.907538 0.053 Uiso 1 1 calc R U . . .
C136 C 0.6073(4) 0.3023(2) 0.8979(3) 0.0358(12) Uani 1 1 d . . . . .
H13M H 0.609073 0.300164 0.845014 0.054 Uiso 1 1 calc R U . . .
H13N H 0.602213 0.265110 0.917909 0.054 Uiso 1 1 calc R U . . .
H13O H 0.660845 0.319598 0.917132 0.054 Uiso 1 1 calc R U . . .
C137 C 0.0288(3) 0.41391(19) 0.9870(2) 0.0206(9) Uani 1 1 d . . . . .
C138 C -0.0108(3) 0.36519(18) 0.9613(2) 0.0200(9) Uani 1 1 d . . . . .
C139 C -0.0745(3) 0.33963(19) 1.0007(2) 0.0257(10) Uani 1 1 d . . . . .
H139 H -0.100589 0.306477 0.983324 0.031 Uiso 1 1 calc R U . . .
C140 C -0.1001(3) 0.36222(19) 1.0654(3) 0.0280(10) Uani 1 1 d . . . . .
H140 H -0.143682 0.344552 1.092265 0.034 Uiso 1 1 calc R U . . .
C141 C -0.0620(3) 0.41102(18) 1.0910(2) 0.0233(9) Uani 1 1 d . . . . .
H141 H -0.079714 0.426403 1.135329 0.028 Uiso 1 1 calc R U . . .
C142 C 0.0018(3) 0.43727(18) 1.0520(2) 0.0210(9) Uani 1 1 d . . . . .
C143 C 0.0387(3) 0.49075(18) 1.0801(2) 0.0264(10) Uani 1 1 d . . . . .
C144 C 0.0978(3) 0.49117(19) 1.1402(2) 0.0270(10) Uani 1 1 d . . . . .
C145 C 0.1323(3) 0.5414(2) 1.1630(3) 0.0377(13) Uani 1 1 d . . . . .
H145 H 0.173259 0.541799 1.202627 0.045 Uiso 1 1 calc R U . . .
C146 C 0.1091(3) 0.5914(2) 1.1301(3) 0.0420(14) Uani 1 1 d . . . . .
C147 C 0.0486(4) 0.5895(2) 1.0740(3) 0.0429(13) Uani 1 1 d . . . . .
H147 H 0.030993 0.623311 1.051990 0.052 Uiso 1 1 calc R U . . .
C148 C 0.0119(3) 0.5413(2) 1.0478(3) 0.0327(11) Uani 1 1 d . . . . .
C149 C 0.1239(3) 0.4389(2) 1.1797(2) 0.0270(10) Uani 1 1 d . . . . .
H149 H 0.094580 0.407325 1.153976 0.032 Uiso 1 1 calc R U . . .
C150 C 0.0921(4) 0.4398(2) 1.2573(3) 0.0483(15) Uani 1 1 d . . . . .
H15D H 0.028782 0.444273 1.256364 0.072 Uiso 1 1 calc R U . . .
H15E H 0.119488 0.470598 1.283755 0.072 Uiso 1 1 calc R U . . .
H15F H 0.107871 0.405055 1.281494 0.072 Uiso 1 1 calc R U . . .
C151 C 0.2201(4) 0.4288(3) 1.1800(4) 0.0635(19) Uani 1 1 d . . . . .
H15G H 0.237994 0.421830 1.130460 0.095 Uiso 1 1 calc R U . . .
H15H H 0.234399 0.396633 1.210283 0.095 Uiso 1 1 calc R U . . .
H15I H 0.250869 0.461200 1.199444 0.095 Uiso 1 1 calc R U . . .
C152 C 0.1493(4) 0.6455(3) 1.1570(5) 0.081(3) Uani 1 1 d . . . . .
H152 H 0.130837 0.668129 1.113937 0.097 Uiso 1 1 calc R U . . .
C153 C 0.1012(5) 0.6739(3) 1.2067(4) 0.083(3) Uani 1 1 d . . . . .
H15J H 0.092500 0.650447 1.249063 0.125 Uiso 1 1 calc R U . . .
H15K H 0.044567 0.683893 1.184615 0.125 Uiso 1 1 calc R U . . .
H15L H 0.132477 0.707385 1.221813 0.125 Uiso 1 1 calc R U . . .
C154 C 0.2410(5) 0.6497(3) 1.1469(4) 0.072(2) Uani 1 1 d . . . . .
H15V H 0.254336 0.636521 1.098448 0.108 Uiso 1 1 calc R U . . .
H15M H 0.272264 0.627080 1.183310 0.108 Uiso 1 1 calc R U . . .
H15N H 0.259210 0.688201 1.152225 0.108 Uiso 1 1 calc R U . . .
C155 C -0.0617(4) 0.5428(2) 0.9903(3) 0.0408(13) Uani 1 1 d . . . . .
H155 H -0.069059 0.504923 0.969636 0.049 Uiso 1 1 calc R U . . .
C156 C -0.1450(4) 0.5587(3) 1.0261(3) 0.0588(17) Uani 1 1 d . . . . .
H15O H -0.192072 0.562111 0.989286 0.088 Uiso 1 1 calc R U . . .
H15P H -0.136876 0.594009 1.051160 0.088 Uiso 1 1 calc R U . . .
H15Q H -0.160104 0.530216 1.061150 0.088 Uiso 1 1 calc R U . . .
C157 C -0.0423(5) 0.5828(2) 0.9282(3) 0.0568(17) Uani 1 1 d . . . . .
H15R H 0.017941 0.577790 0.913886 0.085 Uiso 1 1 calc R U . . .
H15S H -0.050627 0.620799 0.944454 0.085 Uiso 1 1 calc R U . . .
H15T H -0.081927 0.575148 0.886750 0.085 Uiso 1 1 calc R U . . .
C158 C 0.0146(3) 0.34214(18) 0.8893(2) 0.0211(9) Uani 1 1 d . . . . .
C159 C -0.0276(3) 0.36157(19) 0.8254(2) 0.0232(9) Uani 1 1 d . . . . .
C160 C 0.0000(3) 0.34334(19) 0.7590(2) 0.0267(10) Uani 1 1 d . . . . .
H160 H -0.029205 0.356148 0.716052 0.032 Uiso 1 1 calc R U . . .
C161 C 0.0695(3) 0.3066(2) 0.7533(2) 0.0298(11) Uani 1 1 d . . . . .
C162 C 0.1084(3) 0.2865(2) 0.8169(2) 0.0300(11) Uani 1 1 d . . . . .
H162 H 0.154124 0.260307 0.814021 0.036 Uiso 1 1 calc R U . . .
C163 C 0.0823(3) 0.30362(19) 0.8851(2) 0.0251(10) Uani 1 1 d . . . . .
C164 C -0.1057(3) 0.4007(2) 0.8277(3) 0.0268(10) Uani 1 1 d . . . . .
H164 H -0.106949 0.416793 0.877415 0.032 Uiso 1 1 calc R U . . .
C165 C -0.1012(4) 0.4482(2) 0.7738(3) 0.0466(14) Uani 1 1 d . . . . .
H16D H -0.104243 0.433626 0.724360 0.070 Uiso 1 1 calc R U . . .
H16E H -0.046353 0.468239 0.781821 0.070 Uiso 1 1 calc R U . . .
H16F H -0.150145 0.473378 0.780614 0.070 Uiso 1 1 calc R U . . .
C166 C -0.1891(3) 0.3683(2) 0.8146(3) 0.0401(13) Uani 1 1 d . . . . .
H16G H -0.239092 0.393177 0.817245 0.060 Uiso 1 1 calc R U . . .
H16H H -0.193282 0.339512 0.851490 0.060 Uiso 1 1 calc R U . . .
H16I H -0.188825 0.351256 0.766538 0.060 Uiso 1 1 calc R U . . .
C167 C 0.1022(4) 0.2893(2) 0.6801(2) 0.0357(12) Uani 1 1 d . . . . .
H167 H 0.060174 0.303528 0.642128 0.043 Uiso 1 1 calc R U . . .
C168 C 0.1076(5) 0.2272(2) 0.6712(3) 0.0533(17) Uani 1 1 d . . . . .
H16J H 0.128507 0.218476 0.623041 0.080 Uiso 1 1 calc R U . . .
H16K H 0.049847 0.210980 0.676627 0.080 Uiso 1 1 calc R U . . .
H16L H 0.148061 0.211978 0.708179 0.080 Uiso 1 1 calc R U . . .
C169 C 0.1911(4) 0.3165(3) 0.6679(3) 0.0477(15) Uani 1 1 d . . . . .
H16M H 0.210709 0.306844 0.619609 0.071 Uiso 1 1 calc R U . . .
H16N H 0.233722 0.303321 0.704548 0.071 Uiso 1 1 calc R U . . .
H16O H 0.185456 0.356619 0.671662 0.071 Uiso 1 1 calc R U . . .
C170 C 0.1253(3) 0.27840(19) 0.9530(2) 0.0255(10) Uani 1 1 d . . . . .
H170 H 0.119529 0.305503 0.993281 0.031 Uiso 1 1 calc R U . . .
C171 C 0.2209(3) 0.2658(2) 0.9466(3) 0.0309(11) Uani 1 1 d . . . . .
H17A H 0.228093 0.235761 0.911893 0.046 Uiso 1 1 calc R U . . .
H17B H 0.245614 0.254788 0.993972 0.046 Uiso 1 1 calc R U . . .
H17C H 0.251113 0.298748 0.929763 0.046 Uiso 1 1 calc R U . . .
C172 C 0.0764(4) 0.2267(2) 0.9732(3) 0.0411(13) Uani 1 1 d . . . . .
H17D H 0.078140 0.200118 0.933449 0.062 Uiso 1 1 calc R U . . .
H17E H 0.015801 0.236137 0.982377 0.062 Uiso 1 1 calc R U . . .
H17F H 0.103711 0.210571 1.016950 0.062 Uiso 1 1 calc R U . . .
C117 C 0.2780(4) 0.7420(2) 0.8715(4) 0.0547(17) Uani 1 1 d . . . . .
H11D H 0.281805 0.722428 0.825391 0.082 Uiso 1 1 calc R U . . .
H11E H 0.330987 0.763661 0.880593 0.082 Uiso 1 1 calc R U . . .
H11F H 0.227418 0.766612 0.869510 0.082 Uiso 1 1 calc R U . . .
C116 C 0.2680(3) 0.6999(2) 0.9331(3) 0.0373(12) Uani 1 1 d . . . . .
H116 H 0.271768 0.720575 0.979889 0.045 Uiso 1 1 calc R U . . .
C115 C 0.6141(3) 0.6449(2) 1.0417(3) 0.0344(11) Uani 1 1 d . . . . .
H11G H 0.640090 0.629413 0.998576 0.052 Uiso 1 1 calc R U . . .
H11H H 0.655747 0.642265 1.082908 0.052 Uiso 1 1 calc R U . . .
H11I H 0.599151 0.683654 1.033019 0.052 Uiso 1 1 calc R U . . .
C114 C 0.4955(4) 0.6320(2) 1.1304(3) 0.0385(12) Uani 1 1 d . . . . .
H11J H 0.491927 0.672284 1.130638 0.058 Uiso 1 1 calc R U . . .
H11K H 0.534215 0.619634 1.170378 0.058 Uiso 1 1 calc R U . . .
H11L H 0.437397 0.616333 1.136028 0.058 Uiso 1 1 calc R U . . .
C113 C 0.5316(3) 0.61259(18) 1.0585(2) 0.0284(10) Uani 1 1 d . . . . .
H113 H 0.549374 0.573232 1.065364 0.034 Uiso 1 1 calc R U . . .
C112 C 0.4661(3) 0.61388(17) 0.9955(2) 0.0242(10) Uani 1 1 d . . . . .
C111 C 0.3997(3) 0.65333(18) 0.9924(2) 0.0266(10) Uani 1 1 d . . . . .
H111 H 0.394377 0.677911 1.032007 0.032 Uiso 1 1 calc R U . . .
C110 C 0.3419(3) 0.65792(18) 0.9343(2) 0.0273(10) Uani 1 1 d . . . . .
C109 C 0.3523(3) 0.62314(18) 0.8751(2) 0.0293(11) Uani 1 1 d . . . . .
H109 H 0.314090 0.626580 0.833883 0.035 Uiso 1 1 calc R U . . .
C108 C 0.4181(3) 0.58329(18) 0.8755(2) 0.0259(10) Uani 1 1 d . . . . .
C107 C 0.4736(3) 0.57780(16) 0.9361(2) 0.0215(9) Uani 1 1 d . . . . .
C106 C 0.5401(3) 0.53214(16) 0.9397(2) 0.0195(9) Uani 1 1 d . . . . .
C105 C 0.6180(3) 0.53657(17) 0.9036(2) 0.0208(9) Uani 1 1 d . . . . .
H105 H 0.629076 0.568521 0.875618 0.025 Uiso 1 1 calc R U . . .
C104 C 0.6793(3) 0.49493(17) 0.9081(2) 0.0205(9) Uani 1 1 d . . . . .
H104 H 0.732073 0.498559 0.883313 0.025 Uiso 1 1 calc R U . . .
C103 C 0.6646(3) 0.44850(17) 0.9479(2) 0.0189(9) Uani 1 1 d . . . . .
H103 H 0.707317 0.420201 0.950854 0.023 Uiso 1 1 calc R U . . .
C102 C 0.5867(3) 0.44262(16) 0.9845(2) 0.0163(8) Uani 1 1 d . . . . .
C101 C 0.5236(3) 0.48468(16) 0.9798(2) 0.0175(8) Uani 1 1 d . . . . .
C100 C 0.2683(4) 0.4658(2) 0.9813(2) 0.0389(13) Uani 1 1 d . . . . .
C70 C 1.1362(4) 0.4561(3) 0.4713(3) 0.0461(14) Uani 1 1 d . . . . .
H70A H 1.134440 0.420078 0.447200 0.069 Uiso 1 1 calc R U . . .
H70B H 1.184373 0.456743 0.507408 0.069 Uiso 1 1 calc R U . . .
H70C H 1.144843 0.485062 0.435346 0.069 Uiso 1 1 calc R U . . .
C69 C 1.0368(5) 0.4235(2) 0.5681(3) 0.0514(16) Uani 1 1 d . . . . .
H69A H 0.981273 0.430247 0.590976 0.077 Uiso 1 1 calc R U . . .
H69B H 1.084455 0.426452 0.604488 0.077 Uiso 1 1 calc R U . . .
H69C H 1.036561 0.386493 0.546918 0.077 Uiso 1 1 calc R U . . .
C68 C 1.0495(3) 0.4660(2) 0.5090(2) 0.0350(11) Uani 1 1 d . . . . .
H68 H 1.053584 0.502938 0.532907 0.042 Uiso 1 1 calc R U . . .
C67 C 0.9109(3) 0.5707(3) 0.2443(3) 0.0453(14) Uani 1 1 d . . . . .
H67A H 0.892424 0.538261 0.216139 0.068 Uiso 1 1 calc R U . . .
H67B H 0.974253 0.569858 0.252354 0.068 Uiso 1 1 calc R U . . .
H67C H 0.894320 0.604211 0.217717 0.068 Uiso 1 1 calc R U . . .
C66 C 0.7680(3) 0.5764(2) 0.3041(3) 0.0423(13) Uani 1 1 d . . . . .
H66A H 0.755726 0.611401 0.279240 0.063 Uiso 1 1 calc R U . . .
H66B H 0.739275 0.576068 0.350560 0.063 Uiso 1 1 calc R U . . .
H66C H 0.746140 0.545816 0.274063 0.063 Uiso 1 1 calc R U . . .
C65 C 0.8669(3) 0.5702(2) 0.3173(2) 0.0252(10) Uani 1 1 d . . . . .
H65 H 0.888533 0.602576 0.346137 0.030 Uiso 1 1 calc R U . . .
C64 C 0.8912(3) 0.5174(2) 0.3592(2) 0.0230(9) Uani 1 1 d . . . . .
C63 C 0.8563(3) 0.4671(2) 0.3358(3) 0.0329(9) Uani 1 1 d . . . . .
H63 H 0.815135 0.466862 0.296274 0.039 Uiso 1 1 calc R U . . .
C62 C 0.8795(3) 0.4178(2) 0.3683(3) 0.0387(13) Uani 1 1 d D . . . .
C61 C 0.9399(3) 0.41911(19) 0.4261(3) 0.0349(12) Uani 1 1 d . . . . .
H61 H 0.956859 0.385528 0.448981 0.042 Uiso 1 1 calc R U . . .
C60 C 0.9764(3) 0.46908(19) 0.4518(2) 0.0260(9) Uani 1 1 d . . . . .
C59 C 0.9504(3) 0.51822(18) 0.4184(2) 0.0197(8) Uani 1 1 d . . . . .
C58 C 0.8157(4) 0.6946(3) 0.8296(3) 0.0473(15) Uani 1 1 d . . . . .
H58A H 0.774178 0.708572 0.792570 0.071 Uiso 1 1 calc R U . . .
H58B H 0.795786 0.704458 0.877678 0.071 Uiso 1 1 calc R U . . .
H58C H 0.819663 0.654386 0.825627 0.071 Uiso 1 1 calc R U . . .
C57 C 0.9006(5) 0.7822(2) 0.8286(3) 0.0604(19) Uani 1 1 d . . . . .
H57A H 0.958763 0.797973 0.823651 0.091 Uiso 1 1 calc R U . . .
H57B H 0.879592 0.790667 0.876765 0.091 Uiso 1 1 calc R U . . .
H57C H 0.860716 0.798150 0.791681 0.091 Uiso 1 1 calc R U . . .
C56 C 0.9046(3) 0.7199(2) 0.8186(3) 0.0332(11) Uani 1 1 d . . . . .
H56 H 0.946300 0.704552 0.856060 0.040 Uiso 1 1 calc R U . . .
C55 C 1.0927(3) 0.5567(2) 0.7153(3) 0.0417(13) Uani 1 1 d . . . . .
H55A H 1.037524 0.538261 0.702861 0.063 Uiso 1 1 calc R U . . .
H55B H 1.092962 0.568597 0.765963 0.063 Uiso 1 1 calc R U . . .
H55C H 1.140995 0.531101 0.708383 0.063 Uiso 1 1 calc R U . . .
C54 C 1.1899(3) 0.6366(2) 0.6844(3) 0.0386(12) Uani 1 1 d . . . . .
H54A H 1.238355 0.610986 0.677851 0.058 Uiso 1 1 calc R U . . .
H54B H 1.190752 0.649419 0.734641 0.058 Uiso 1 1 calc R U . . .
H54C H 1.195896 0.668209 0.651941 0.058 Uiso 1 1 calc R U . . .
C53 C 1.1031(3) 0.60688(19) 0.6666(2) 0.0253(10) Uani 1 1 d . . . . .
H53 H 1.105233 0.593222 0.615625 0.030 Uiso 1 1 calc R U . . .
C52 C 0.7776(3) 0.7359(2) 0.5506(3) 0.0375(12) Uani 1 1 d . . . . .
H52A H 0.751864 0.744979 0.502824 0.056 Uiso 1 1 calc R U . . .
H52B H 0.762038 0.764328 0.585420 0.056 Uiso 1 1 calc R U . . .
H52C H 0.755357 0.700096 0.566285 0.056 Uiso 1 1 calc R U . . .
C51 C 0.9137(4) 0.7885(2) 0.5304(3) 0.0516(16) Uani 1 1 d . . . . .
H51A H 0.976687 0.784838 0.525604 0.077 Uiso 1 1 calc R U . . .
H51B H 0.901884 0.813833 0.570119 0.077 Uiso 1 1 calc R U . . .
H51C H 0.887473 0.802889 0.485205 0.077 Uiso 1 1 calc R U . . .
C50 C 0.8754(3) 0.73300(19) 0.5462(2) 0.0262(10) Uani 1 1 d . . . . .
H50 H 0.888323 0.708444 0.504472 0.031 Uiso 1 1 calc R U . . .
S100 S 0.28413(14) 0.52828(8) 0.99156(13) 0.0210(6) Uani 0.487(2) 1 d . . P B 1
Sn11 Sn 0.13083(8) 0.44577(5) 0.92263(7) 0.0191(2) Uani 0.487(2) 1 d D . P B 1
HN1C H 0.0955(4) 0.5020(7) 0.8843(4) 0.023 Uiso 0.487(2) 1 calc DR U P B 1
HN1D H 0.1475(2) 0.4017(5) 0.8586(7) 0.023 Uiso 0.487(2) 1 calc DR U P B 1
Sn10 Sn 0.42072(8) 0.48564(5) 1.06167(7) 0.0186(2) Uani 0.487(2) 1 d . . P B 1
S101 S 0.32246(14) 0.41059(9) 1.00011(13) 0.0239(6) Uani 0.487(2) 1 d . . P B 1
S102 S 0.21136(12) 0.51999(9) 0.98996(11) 0.0215(5) Uani 0.513(2) 1 d . . P B 2
Sn13 Sn 0.10743(8) 0.45968(5) 0.90543(6) 0.0226(2) Uani 0.513(2) 1 d . . P B 2
Sn12 Sn 0.40652(7) 0.47009(5) 1.04067(7) 0.0195(2) Uani 0.513(2) 1 d D . P B 2
HN1E H 0.40209(8) 0.5179(6) 1.1007(7) 0.023 Uiso 0.513(2) 1 calc DR U P B 2
HN1F H 0.42059(17) 0.4129(7) 1.0835(5) 0.023 Uiso 0.513(2) 1 calc DR U P B 2
S103 S 0.25044(14) 0.40858(9) 0.94210(13) 0.0262(6) Uani 0.513(2) 1 d . . P B 2
C71 C 0.7498(4) 0.3578(3) 0.3496(4) 0.0318(17) Uani 0.670(6) 1 d D . P C 3
H71A H 0.713866 0.387299 0.328079 0.048 Uiso 0.670(6) 1 calc R U P C 3
H71B H 0.744796 0.358266 0.402306 0.048 Uiso 0.670(6) 1 calc R U P C 3
H71C H 0.729827 0.322125 0.330551 0.048 Uiso 0.670(6) 1 calc R U P C 3
C72 C 0.8380(5) 0.3661(3) 0.3321(4) 0.0329(9) Uani 0.670(6) 1 d D . P C 3
H72 H 0.818978 0.388749 0.289229 0.039 Uiso 0.670(6) 1 calc R U P C 3
C73 C 0.8961(5) 0.3362(3) 0.2885(4) 0.0353(10) Uani 0.670(6) 1 d D . P C 3
H73A H 0.870856 0.300115 0.276378 0.053 Uiso 0.670(6) 1 calc R U P C 3
H73B H 0.951689 0.330995 0.315249 0.053 Uiso 0.670(6) 1 calc R U P C 3
H73C H 0.905888 0.356772 0.243950 0.053 Uiso 0.670(6) 1 calc R U P C 3
C74 C 0.7926(8) 0.3293(5) 0.3888(7) 0.0305(10) Uani 0.330(6) 1 d D . P C 4
H74A H 0.741526 0.352898 0.394437 0.046 Uiso 0.330(6) 1 calc R U P C 4
H74B H 0.811525 0.314543 0.436119 0.046 Uiso 0.330(6) 1 calc R U P C 4
H74C H 0.777414 0.298753 0.356037 0.046 Uiso 0.330(6) 1 calc R U P C 4
C75 C 0.8554(8) 0.3581(4) 0.3620(6) 0.0229(9) Uani 0.330(6) 1 d D . P C 4
H75 H 0.825821 0.363288 0.312890 0.028 Uiso 0.3299 1 d D U P C 4
C76 C 0.8992(11) 0.3122(6) 0.3403(12) 0.0589(17) Uani 0.330(6) 1 d D . P C 4
H76A H 0.925923 0.293780 0.382679 0.088 Uiso 0.330(6) 1 calc R U P C 4
H76B H 0.944597 0.323053 0.307228 0.088 Uiso 0.330(6) 1 calc R U P C 4
H76C H 0.858443 0.286907 0.315445 0.088 Uiso 0.330(6) 1 calc R U P C 4
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'
S S 0.1246 0.1234 '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'
H H 0.0000 0.0000 '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
C38 Sn1 C1 115.39(15) . . ?
C38 Sn1 HN1A 108.4 . . ?
C1 Sn1 HN1A 108.4 . . ?
C38 Sn1 HN1B 108.4 . . ?
C1 Sn1 HN1B 108.4 . . ?
HN1A Sn1 HN1B 107.5 . . ?
C2 Sn2 S1 97.93(11) . . ?
C2 Sn2 S2 104.31(10) . . ?
S1 Sn2 S2 67.78(4) . . ?
C1 S1 Sn2 85.35(15) . . ?
C1 S2 Sn2 84.76(16) . . ?
C38 Sn3 C1 96.5(3) . . ?
C38 Sn3 S4 88.9(5) . . ?
C1 Sn3 S4 33.3(4) . . ?
C38 Sn3 S3 102.9(4) . . ?
C1 Sn3 S3 34.5(3) . . ?
S4 Sn3 S3 67.8(5) . . ?
C1 S3 Sn3 71.6(6) . . ?
C2 Sn4 C1 124.5(4) . . ?
C2 Sn4 HN4G 106.2 . . ?
C1 Sn4 HN4G 106.2 . . ?
C2 Sn4 HN4H 106.2 . . ?
C1 Sn4 HN4H 106.2 . . ?
HN4G Sn4 HN4H 106.4 . . ?
C1 S4 Sn3 73.1(7) . . ?
S4 C1 S3 147.5(9) . . ?
S2 C1 S1 121.1(3) . . ?
S2 C1 Sn1 119.7(2) . . ?
S1 C1 Sn1 118.6(2) . . ?
S4 C1 Sn4 106.1(7) . . ?
S3 C1 Sn4 106.0(6) . . ?
S4 C1 Sn3 73.6(7) . . ?
S3 C1 Sn3 74.0(6) . . ?
Sn4 C1 Sn3 174.0(3) . . ?
C10 C9 C8 118.5(4) . . ?
C10 C9 C20 121.2(4) . . ?
C8 C9 C20 120.2(4) . . ?
C13 C8 C9 120.1(4) . . ?
C13 C8 C7 120.0(3) . . ?
C9 C8 C7 119.7(3) . . ?
C6 C7 C2 119.7(4) . . ?
C6 C7 C8 121.0(3) . . ?
C2 C7 C8 119.3(3) . . ?
C5 C6 C7 120.4(4) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C6 C5 C4 120.0(4) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C11 C10 C9 122.5(4) . . ?
C11 C10 H10 118.7 . . ?
C9 C10 H10 118.7 . . ?
C12 C11 C10 117.8(4) . . ?
C12 C11 C17 120.3(4) . . ?
C10 C11 C17 122.0(4) . . ?
C11 C12 C13 122.3(4) . . ?
C11 C12 H12 118.9 . . ?
C13 C12 H12 118.9 . . ?
C8 C13 C12 118.7(4) . . ?
C8 C13 C14 122.4(4) . . ?
C12 C13 C14 118.9(4) . . ?
C15 C14 C16 112.0(4) . . ?
C15 C14 C13 111.7(4) . . ?
C16 C14 C13 111.1(3) . . ?
C15 C14 H14 107.2 . . ?
C16 C14 H14 107.2 . . ?
C13 C14 H14 107.2 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C11 C17 C19 111.6(4) . . ?
C11 C17 C18 111.3(4) . . ?
C19 C17 C18 110.3(5) . . ?
C11 C17 H17 107.8 . . ?
C19 C17 H17 107.8 . . ?
C18 C17 H17 107.8 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C20 C9 113.8(4) . . ?
C21 C20 C22 110.1(4) . . ?
C9 C20 C22 110.1(3) . . ?
C21 C20 H20 107.5 . . ?
C9 C20 H20 107.5 . . ?
C22 C20 H20 107.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C28 120.3(4) . . ?
C24 C23 C3 118.7(3) . . ?
C28 C23 C3 120.8(3) . . ?
C25 C24 C23 118.6(4) . . ?
C25 C24 C29 120.8(4) . . ?
C23 C24 C29 120.5(4) . . ?
C26 C25 C24 122.7(4) . . ?
C26 C25 H25 118.7 . . ?
C24 C25 H25 118.7 . . ?
C25 C26 C27 117.6(4) . . ?
C25 C26 C35 118.9(4) . . ?
C27 C26 C35 123.4(4) . . ?
C28 C27 C26 122.1(4) . . ?
C28 C27 H27 119.0 . . ?
C26 C27 H27 119.0 . . ?
C27 C28 C23 118.5(4) . . ?
C27 C28 C32 120.9(4) . . ?
C23 C28 C32 120.5(4) . . ?
C30 C29 C24 114.3(4) . . ?
C30 C29 C31 109.6(3) . . ?
C24 C29 C31 109.2(4) . . ?
C30 C29 H29 107.8 . . ?
C24 C29 H29 107.8 . . ?
C31 C29 H29 107.8 . . ?
C3 C2 C7 118.9(3) . . ?
C3 C2 Sn4 112.7(3) . . ?
C7 C2 Sn4 128.3(3) . . ?
C3 C2 Sn2 116.7(3) . . ?
C7 C2 Sn2 122.4(3) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C28 C32 C33 115.2(4) . . ?
C28 C32 C34 109.4(4) . . ?
C33 C32 C34 109.5(4) . . ?
C28 C32 H32 107.5 . . ?
C33 C32 H32 107.5 . . ?
C34 C32 H32 107.5 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C37 110.7(4) . . ?
C36 C35 C26 114.6(4) . . ?
C37 C35 C26 109.4(4) . . ?
C36 C35 H35 107.3 . . ?
C37 C35 H35 107.3 . . ?
C26 C35 H35 107.3 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C43 119.5(4) . . ?
C39 C38 Sn1 121.9(3) . . ?
C43 C38 Sn1 118.6(3) . . ?
C39 C38 Sn3 119.4(3) . . ?
C43 C38 Sn3 118.1(3) . . ?
C40 C39 C38 119.1(4) . . ?
C40 C39 C59 118.8(4) . . ?
C38 C39 C59 122.1(3) . . ?
C4 C3 C2 120.9(4) . . ?
C4 C3 C23 122.5(4) . . ?
C2 C3 C23 116.7(3) . . ?
C41 C42 C43 120.1(4) . . ?
C41 C42 H42 119.9 . . ?
C43 C42 H42 119.9 . . ?
C40 C41 C42 120.5(4) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C40 C39 121.0(4) . . ?
C41 C40 H40 119.5 . . ?
C39 C40 H40 119.5 . . ?
C42 C43 C38 119.8(4) . . ?
C42 C43 C44 120.8(4) . . ?
C38 C43 C44 119.4(4) . . ?
C45 C44 C49 120.5(4) . . ?
C45 C44 C43 119.3(4) . . ?
C49 C44 C43 120.1(4) . . ?
C44 C45 C46 119.3(4) . . ?
C44 C45 C53 122.4(4) . . ?
C46 C45 C53 118.3(4) . . ?
C47 C46 C45 121.3(4) . . ?
C47 C46 H46 119.4 . . ?
C45 C46 H46 119.4 . . ?
C46 C47 C48 118.6(4) . . ?
C46 C47 C56 120.5(4) . . ?
C48 C47 C56 120.8(4) . . ?
C48 C49 C44 118.5(4) . . ?
C48 C49 C50 119.7(4) . . ?
C44 C49 C50 121.7(4) . . ?
C47 C48 C49 121.7(4) . . ?
C47 C48 H48 119.1 . . ?
C49 C48 H48 119.1 . . ?
C3 C4 C5 120.0(4) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C116 C118 H11A 109.5 . . ?
C116 C118 H11B 109.5 . . ?
H11A C118 H11B 109.5 . . ?
C116 C118 H11C 109.5 . . ?
H11A C118 H11C 109.5 . . ?
H11B C118 H11C 109.5 . . ?
C108 C119 C121 110.7(4) . . ?
C108 C119 C120 111.7(4) . . ?
C121 C119 C120 110.7(4) . . ?
C108 C119 H119 107.9 . . ?
C121 C119 H119 107.9 . . ?
C120 C119 H119 107.9 . . ?
C119 C120 H12A 109.5 . . ?
C119 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C119 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C119 C121 H12D 109.5 . . ?
C119 C121 H12E 109.5 . . ?
H12D C121 H12E 109.5 . . ?
C119 C121 H12F 109.5 . . ?
H12D C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
C127 C122 C123 119.7(4) . . ?
C127 C122 C102 121.0(4) . . ?
C123 C122 C102 118.9(4) . . ?
C124 C123 C122 118.7(4) . . ?
C124 C123 C128 120.6(4) . . ?
C122 C123 C128 120.6(4) . . ?
C123 C124 C125 122.4(4) . . ?
C123 C124 H124 118.8 . . ?
C125 C124 H124 118.8 . . ?
C126 C125 C124 118.0(4) . . ?
C126 C125 C131 123.1(4) . . ?
C124 C125 C131 118.8(4) . . ?
C125 C126 C127 121.9(4) . . ?
C125 C126 H126 119.0 . . ?
C127 C126 H126 119.0 . . ?
C126 C127 C122 118.8(4) . . ?
C126 C127 C134 121.0(4) . . ?
C122 C127 C134 120.1(4) . . ?
C123 C128 C129 114.0(4) . . ?
C123 C128 C130 109.3(4) . . ?
C129 C128 C130 110.9(4) . . ?
C123 C128 H128 107.5 . . ?
C129 C128 H128 107.5 . . ?
C130 C128 H128 107.5 . . ?
C128 C129 H12G 109.5 . . ?
C128 C129 H12H 109.5 . . ?
H12G C129 H12H 109.5 . . ?
C128 C129 H12I 109.5 . . ?
H12G C129 H12I 109.5 . . ?
H12H C129 H12I 109.5 . . ?
C128 C130 H13A 109.5 . . ?
C128 C130 H13B 109.5 . . ?
H13A C130 H13B 109.5 . . ?
C128 C130 H13C 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C132 C131 C133 110.2(5) . . ?
C132 C131 C125 115.1(4) . . ?
C133 C131 C125 109.3(4) . . ?
C132 C131 H131 107.3 . . ?
C133 C131 H131 107.3 . . ?
C125 C131 H131 107.3 . . ?
C131 C132 H13D 109.5 . . ?
C131 C132 H13E 109.5 . . ?
H13D C132 H13E 109.5 . . ?
C131 C132 H13F 109.5 . . ?
H13D C132 H13F 109.5 . . ?
H13E C132 H13F 109.5 . . ?
C131 C133 H13G 109.5 . . ?
C131 C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
C131 C133 H13I 109.5 . . ?
H13G C133 H13I 109.5 . . ?
H13H C133 H13I 109.5 . . ?
C136 C134 C127 110.0(4) . . ?
C136 C134 C135 111.0(4) . . ?
C127 C134 C135 114.0(4) . . ?
C136 C134 H134 107.2 . . ?
C127 C134 H134 107.2 . . ?
C135 C134 H134 107.2 . . ?
C134 C135 H13J 109.5 . . ?
C134 C135 H13K 109.5 . . ?
H13J C135 H13K 109.5 . . ?
C134 C135 H13L 109.5 . . ?
H13J C135 H13L 109.5 . . ?
H13K C135 H13L 109.5 . . ?
C134 C136 H13M 109.5 . . ?
C134 C136 H13N 109.5 . . ?
H13M C136 H13N 109.5 . . ?
C134 C136 H13O 109.5 . . ?
H13M C136 H13O 109.5 . . ?
H13N C136 H13O 109.5 . . ?
C142 C137 C138 119.4(4) . . ?
C142 C137 Sn11 125.0(3) . . ?
C138 C137 Sn11 115.6(3) . . ?
C142 C137 Sn13 123.7(3) . . ?
C138 C137 Sn13 115.0(3) . . ?
C139 C138 C137 120.2(4) . . ?
C139 C138 C158 120.5(4) . . ?
C137 C138 C158 119.2(4) . . ?
C140 C139 C138 120.3(4) . . ?
C140 C139 H139 119.9 . . ?
C138 C139 H139 119.9 . . ?
C139 C140 C141 119.9(4) . . ?
C139 C140 H140 120.0 . . ?
C141 C140 H140 120.0 . . ?
C142 C141 C140 120.5(4) . . ?
C142 C141 H141 119.7 . . ?
C140 C141 H141 119.7 . . ?
C141 C142 C137 119.6(4) . . ?
C141 C142 C143 118.8(4) . . ?
C137 C142 C143 121.7(4) . . ?
C144 C143 C148 119.7(4) . . ?
C144 C143 C142 120.3(4) . . ?
C148 C143 C142 120.0(4) . . ?
C145 C144 C143 118.3(4) . . ?
C145 C144 C149 119.8(4) . . ?
C143 C144 C149 121.8(4) . . ?
C144 C145 C146 122.7(5) . . ?
C144 C145 H145 118.7 . . ?
C146 C145 H145 118.7 . . ?
C147 C146 C145 117.3(5) . . ?
C147 C146 C152 122.1(6) . . ?
C145 C146 C152 120.6(6) . . ?
C146 C147 C148 123.5(5) . . ?
C146 C147 H147 118.2 . . ?
C148 C147 H147 118.2 . . ?
C147 C148 C143 118.4(4) . . ?
C147 C148 C155 120.6(4) . . ?
C143 C148 C155 120.8(4) . . ?
C151 C149 C144 112.6(4) . . ?
C151 C149 C150 110.2(5) . . ?
C144 C149 C150 110.7(4) . . ?
C151 C149 H149 107.7 . . ?
C144 C149 H149 107.7 . . ?
C150 C149 H149 107.7 . . ?
C149 C150 H15D 109.5 . . ?
C149 C150 H15E 109.5 . . ?
H15D C150 H15E 109.5 . . ?
C149 C150 H15F 109.5 . . ?
H15D C150 H15F 109.5 . . ?
H15E C150 H15F 109.5 . . ?
C149 C151 H15G 109.5 . . ?
C149 C151 H15H 109.5 . . ?
H15G C151 H15H 109.5 . . ?
C149 C151 H15I 109.5 . . ?
H15G C151 H15I 109.5 . . ?
H15H C151 H15I 109.5 . . ?
C153 C152 C154 127.0(6) . . ?
C153 C152 C146 115.1(6) . . ?
C154 C152 C146 114.1(5) . . ?
C153 C152 H152 96.4 . . ?
C154 C152 H152 96.4 . . ?
C146 C152 H152 96.4 . . ?
C152 C153 H15J 109.5 . . ?
C152 C153 H15K 109.5 . . ?
H15J C153 H15K 109.5 . . ?
C152 C153 H15L 109.5 . . ?
H15J C153 H15L 109.5 . . ?
H15K C153 H15L 109.5 . . ?
C152 C154 H15V 109.5 . . ?
C152 C154 H15M 109.5 . . ?
H15V C154 H15M 109.5 . . ?
C152 C154 H15N 109.5 . . ?
H15V C154 H15N 109.5 . . ?
H15M C154 H15N 109.5 . . ?
C156 C155 C148 108.7(4) . . ?
C156 C155 C157 110.8(5) . . ?
C148 C155 C157 112.1(5) . . ?
C156 C155 H155 108.4 . . ?
C148 C155 H155 108.4 . . ?
C157 C155 H155 108.4 . . ?
C155 C156 H15O 109.5 . . ?
C155 C156 H15P 109.5 . . ?
H15O C156 H15P 109.5 . . ?
C155 C156 H15Q 109.5 . . ?
H15O C156 H15Q 109.5 . . ?
H15P C156 H15Q 109.5 . . ?
C155 C157 H15R 109.5 . . ?
C155 C157 H15S 109.5 . . ?
H15R C157 H15S 109.5 . . ?
C155 C157 H15T 109.5 . . ?
H15R C157 H15T 109.5 . . ?
H15S C157 H15T 109.5 . . ?
C163 C158 C159 119.9(4) . . ?
C163 C158 C138 120.7(4) . . ?
C159 C158 C138 119.3(4) . . ?
C160 C159 C158 119.3(4) . . ?
C160 C159 C164 119.1(4) . . ?
C158 C159 C164 121.5(4) . . ?
C159 C160 C161 121.8(4) . . ?
C159 C160 H160 119.1 . . ?
C161 C160 H160 119.1 . . ?
C162 C161 C160 118.0(4) . . ?
C162 C161 C167 120.6(4) . . ?
C160 C161 C167 121.4(4) . . ?
C161 C162 C163 122.0(4) . . ?
C161 C162 H162 119.0 . . ?
C163 C162 H162 119.0 . . ?
C162 C163 C158 118.9(4) . . ?
C162 C163 C170 119.5(4) . . ?
C158 C163 C170 121.6(4) . . ?
C166 C164 C165 110.1(4) . . ?
C166 C164 C159 109.5(4) . . ?
C165 C164 C159 113.3(4) . . ?
C166 C164 H164 107.9 . . ?
C165 C164 H164 107.9 . . ?
C159 C164 H164 107.9 . . ?
C164 C165 H16D 109.5 . . ?
C164 C165 H16E 109.5 . . ?
H16D C165 H16E 109.5 . . ?
C164 C165 H16F 109.5 . . ?
H16D C165 H16F 109.5 . . ?
H16E C165 H16F 109.5 . . ?
C164 C166 H16G 109.5 . . ?
C164 C166 H16H 109.5 . . ?
H16G C166 H16H 109.5 . . ?
C164 C166 H16I 109.5 . . ?
H16G C166 H16I 109.5 . . ?
H16H C166 H16I 109.5 . . ?
C168 C167 C161 113.1(4) . . ?
C168 C167 C169 110.9(5) . . ?
C161 C167 C169 109.6(4) . . ?
C168 C167 H167 107.7 . . ?
C161 C167 H167 107.7 . . ?
C169 C167 H167 107.7 . . ?
C167 C168 H16J 109.5 . . ?
C167 C168 H16K 109.5 . . ?
H16J C168 H16K 109.5 . . ?
C167 C168 H16L 109.5 . . ?
H16J C168 H16L 109.5 . . ?
H16K C168 H16L 109.5 . . ?
C167 C169 H16M 109.5 . . ?
C167 C169 H16N 109.5 . . ?
H16M C169 H16N 109.5 . . ?
C167 C169 H16O 109.5 . . ?
H16M C169 H16O 109.5 . . ?
H16N C169 H16O 109.5 . . ?
C171 C170 C172 110.2(4) . . ?
C171 C170 C163 114.3(4) . . ?
C172 C170 C163 109.3(4) . . ?
C171 C170 H170 107.6 . . ?
C172 C170 H170 107.6 . . ?
C163 C170 H170 107.6 . . ?
C170 C171 H17A 109.5 . . ?
C170 C171 H17B 109.5 . . ?
H17A C171 H17B 109.5 . . ?
C170 C171 H17C 109.5 . . ?
H17A C171 H17C 109.5 . . ?
H17B C171 H17C 109.5 . . ?
C170 C172 H17D 109.5 . . ?
C170 C172 H17E 109.5 . . ?
H17D C172 H17E 109.5 . . ?
C170 C172 H17F 109.5 . . ?
H17D C172 H17F 109.5 . . ?
H17E C172 H17F 109.5 . . ?
C116 C117 H11D 109.5 . . ?
C116 C117 H11E 109.5 . . ?
H11D C117 H11E 109.5 . . ?
C116 C117 H11F 109.5 . . ?
H11D C117 H11F 109.5 . . ?
H11E C117 H11F 109.5 . . ?
C118 C116 C110 111.5(4) . . ?
C118 C116 C117 111.5(5) . . ?
C110 C116 C117 111.0(4) . . ?
C118 C116 H116 107.6 . . ?
C110 C116 H116 107.6 . . ?
C117 C116 H116 107.6 . . ?
C113 C115 H11G 109.5 . . ?
C113 C115 H11H 109.5 . . ?
H11G C115 H11H 109.5 . . ?
C113 C115 H11I 109.5 . . ?
H11G C115 H11I 109.5 . . ?
H11H C115 H11I 109.5 . . ?
C113 C114 H11J 109.5 . . ?
C113 C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
C113 C114 H11L 109.5 . . ?
H11J C114 H11L 109.5 . . ?
H11K C114 H11L 109.5 . . ?
C112 C113 C114 114.2(4) . . ?
C112 C113 C115 111.5(4) . . ?
C114 C113 C115 110.2(4) . . ?
C112 C113 H113 106.8 . . ?
C114 C113 H113 106.8 . . ?
C115 C113 H113 106.8 . . ?
C111 C112 C107 118.1(4) . . ?
C111 C112 C113 120.7(4) . . ?
C107 C112 C113 121.1(4) . . ?
C110 C111 C112 122.6(4) . . ?
C110 C111 H111 118.7 . . ?
C112 C111 H111 118.7 . . ?
C111 C110 C109 118.4(4) . . ?
C111 C110 C116 121.8(4) . . ?
C109 C110 C116 119.9(4) . . ?
C110 C109 C108 121.1(4) . . ?
C110 C109 H109 119.5 . . ?
C108 C109 H109 119.5 . . ?
C107 C108 C109 119.6(4) . . ?
C107 C108 C119 122.3(4) . . ?
C109 C108 C119 118.2(4) . . ?
C108 C107 C112 120.2(4) . . ?
C108 C107 C106 120.2(4) . . ?
C112 C107 C106 119.6(4) . . ?
C105 C106 C101 119.5(4) . . ?
C105 C106 C107 121.0(4) . . ?
C101 C106 C107 119.6(4) . . ?
C104 C105 C106 120.6(4) . . ?
C104 C105 H105 119.7 . . ?
C106 C105 H105 119.7 . . ?
C103 C104 C105 120.7(4) . . ?
C103 C104 H104 119.7 . . ?
C105 C104 H104 119.7 . . ?
C104 C103 C102 120.1(4) . . ?
C104 C103 H103 119.9 . . ?
C102 C103 H103 119.9 . . ?
C103 C102 C101 119.6(4) . . ?
C103 C102 C122 122.7(4) . . ?
C101 C102 C122 117.7(4) . . ?
C106 C101 C102 119.5(4) . . ?
C106 C101 Sn12 125.1(3) . . ?
C102 C101 Sn12 115.4(3) . . ?
C106 C101 Sn10 119.9(3) . . ?
C102 C101 Sn10 118.0(3) . . ?
S103 C100 S102 133.1(4) . . ?
S100 C100 S101 135.3(4) . . ?
S103 C100 Sn12 113.0(3) . . ?
S102 C100 Sn12 113.9(3) . . ?
S100 C100 Sn11 112.8(3) . . ?
S101 C100 Sn11 111.9(3) . . ?
C68 C70 H70A 109.5 . . ?
C68 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C68 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C60 C68 C69 115.1(5) . . ?
C60 C68 C70 108.8(4) . . ?
C69 C68 C70 110.7(4) . . ?
C60 C68 H68 107.3 . . ?
C69 C68 H68 107.3 . . ?
C70 C68 H68 107.3 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C67 C65 C64 110.1(4) . . ?
C67 C65 C66 108.9(4) . . ?
C64 C65 C66 112.6(4) . . ?
C67 C65 H65 108.4 . . ?
C64 C65 H65 108.4 . . ?
C66 C65 H65 108.4 . . ?
C63 C64 C59 119.2(4) . . ?
C63 C64 C65 119.2(4) . . ?
C59 C64 C65 121.5(4) . . ?
C62 C63 C64 122.1(4) . . ?
C62 C63 H63 118.9 . . ?
C64 C63 H63 118.9 . . ?
C63 C62 C61 118.0(4) . . ?
C63 C62 C75 138.1(6) . . ?
C61 C62 C75 103.8(6) . . ?
C63 C62 C72 114.7(5) . . ?
C61 C62 C72 127.2(5) . . ?
C62 C61 C60 121.7(5) . . ?
C62 C61 H61 119.1 . . ?
C60 C61 H61 119.1 . . ?
C59 C60 C61 118.7(4) . . ?
C59 C60 C68 123.0(4) . . ?
C61 C60 C68 117.9(4) . . ?
C60 C59 C64 120.2(4) . . ?
C60 C59 C39 118.9(3) . . ?
C64 C59 C39 120.8(4) . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C58 C56 C47 109.4(4) . . ?
C58 C56 C57 110.1(5) . . ?
C47 C56 C57 112.3(4) . . ?
C58 C56 H56 108.3 . . ?
C47 C56 H56 108.3 . . ?
C57 C56 H56 108.3 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C45 C53 C55 113.7(4) . . ?
C45 C53 C54 109.8(4) . . ?
C55 C53 C54 110.7(4) . . ?
C45 C53 H53 107.4 . . ?
C55 C53 H53 107.4 . . ?
C54 C53 H53 107.4 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C51 C50 C52 111.6(4) . . ?
C51 C50 C49 110.0(4) . . ?
C52 C50 C49 113.6(4) . . ?
C51 C50 H50 107.1 . . ?
C52 C50 H50 107.1 . . ?
C49 C50 H50 107.1 . . ?
C100 S100 Sn10 78.2(2) . . ?
C137 Sn11 C100 118.22(15) . . ?
C137 Sn11 HN1C 107.8 . . ?
C100 Sn11 HN1C 107.8 . . ?
C137 Sn11 HN1D 107.8 . . ?
C100 Sn11 HN1D 107.8 . . ?
HN1C Sn11 HN1D 107.1 . . ?
C101 Sn10 S101 96.35(12) . . ?
C101 Sn10 S100 104.00(12) . . ?
S101 Sn10 S100 67.63(7) . . ?
C100 S101 Sn10 78.6(2) . . ?
C100 S102 Sn13 78.8(2) . . ?
C137 Sn13 S103 93.38(13) . . ?
C137 Sn13 S102 101.77(12) . . ?
S103 Sn13 S102 67.63(7) . . ?
C101 Sn12 C100 120.81(15) . . ?
C101 Sn12 HN1E 107.1 . . ?
C100 Sn12 HN1E 107.1 . . ?
C101 Sn12 HN1F 107.1 . . ?
C100 Sn12 HN1F 107.1 . . ?
HN1E Sn12 HN1F 106.8 . . ?
C100 S103 Sn13 80.4(2) . . ?
C72 C71 H71A 109.5 . . ?
C72 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C72 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C71 C72 C73 132.9(6) . . ?
C71 C72 C62 113.6(5) . . ?
C73 C72 C62 113.6(6) . . ?
C71 C72 H72 90.2 . . ?
C73 C72 H72 90.2 . . ?
C62 C72 H72 90.2 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C75 C74 C76 44.8(6) . . ?
C75 C74 H74A 109.5 . . ?
C76 C74 H74A 150.0 . . ?
C75 C74 H74B 109.5 . . ?
C76 C74 H74B 96.0 . . ?
H74A C74 H74B 109.5 . . ?
C75 C74 H74C 109.5 . . ?
C76 C74 H74C 74.9 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C74 C75 C76 93.1(11) . . ?
C74 C75 C62 132.4(11) . . ?
C76 C75 C62 133.2(11) . . ?
C74 C75 H75 95.3 . . ?
C76 C75 H75 92.8 . . ?
C62 C75 H75 92.9 . . ?
C75 C76 C74 42.1(6) . . ?
C75 C76 H76A 109.5 . . ?
C74 C76 H76A 93.8 . . ?
C75 C76 H76B 109.5 . . ?
C74 C76 H76B 149.6 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
C74 C76 H76C 79.3 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
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
Sn1 C38 2.152(4) . ?
Sn1 C1 2.180(4) . ?
Sn1 HN1A 1.582(17) . ?
Sn1 HN1B 1.582(17) . ?
Sn2 C2 2.226(4) . ?
Sn2 S1 2.5963(14) . ?
Sn2 S2 2.6333(12) . ?
S1 C1 1.690(4) . ?
S2 C1 1.658(4) . ?
Sn3 C38 2.288(7) . ?
Sn3 C1 2.611(9) . ?
Sn3 S4 2.62(2) . ?
Sn3 S3 2.645(16) . ?
S3 C1 1.558(15) . ?
Sn4 C2 2.211(7) . ?
Sn4 C1 2.531(9) . ?
Sn4 HN4G 1.60(2) . ?
Sn4 HN4H 1.60(2) . ?
S4 C1 1.497(15) . ?
C9 C10 1.397(6) . ?
C9 C8 1.413(5) . ?
C9 C20 1.532(6) . ?
C8 C13 1.401(5) . ?
C8 C7 1.497(5) . ?
C7 C6 1.404(5) . ?
C7 C2 1.411(5) . ?
C6 C5 1.388(6) . ?
C6 H6 0.9500 . ?
C5 C4 1.400(6) . ?
C5 H5 0.9500 . ?
C10 C11 1.388(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(6) . ?
C11 C17 1.519(6) . ?
C12 C13 1.405(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.526(5) . ?
C14 C15 1.514(6) . ?
C14 C16 1.525(6) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C19 1.527(8) . ?
C17 C18 1.530(7) . ?
C17 H17 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C20 C21 1.525(6) . ?
C20 C22 1.536(6) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.408(5) . ?
C23 C28 1.408(6) . ?
C23 C3 1.508(5) . ?
C24 C25 1.396(6) . ?
C24 C29 1.522(6) . ?
C25 C26 1.381(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.405(6) . ?
C26 C35 1.525(6) . ?
C27 C28 1.397(6) . ?
C27 H27 0.9500 . ?
C28 C32 1.516(6) . ?
C29 C30 1.515(6) . ?
C29 C31 1.534(6) . ?
C29 H29 1.0000 . ?
C2 C3 1.406(6) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.524(7) . ?
C32 C34 1.546(7) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.515(6) . ?
C35 C37 1.525(7) . ?
C35 H35 1.0000 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.409(5) . ?
C38 C43 1.410(6) . ?
C39 C40 1.402(6) . ?
C39 C59 1.511(6) . ?
C3 C4 1.384(5) . ?
C42 C41 1.391(6) . ?
C42 C43 1.395(6) . ?
C42 H42 0.9500 . ?
C41 C40 1.369(6) . ?
C41 H41 0.9500 . ?
C40 H40 0.9500 . ?
C43 C44 1.501(6) . ?
C44 C45 1.392(6) . ?
C44 C49 1.411(6) . ?
C45 C46 1.405(6) . ?
C45 C53 1.518(6) . ?
C46 C47 1.386(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.396(6) . ?
C47 C56 1.523(6) . ?
C49 C48 1.396(6) . ?
C49 C50 1.513(6) . ?
C48 H48 0.9500 . ?
C4 H4 0.9500 . ?
C118 C116 1.524(8) . ?
C118 H11A 0.9800 . ?
C118 H11B 0.9800 . ?
C118 H11C 0.9800 . ?
C119 C108 1.526(6) . ?
C119 C121 1.529(6) . ?
C119 C120 1.534(7) . ?
C119 H119 1.0000 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C121 H12F 0.9800 . ?
C122 C127 1.411(6) . ?
C122 C123 1.417(6) . ?
C122 C102 1.497(5) . ?
C123 C124 1.393(6) . ?
C123 C128 1.523(6) . ?
C124 C125 1.394(7) . ?
C124 H124 0.9500 . ?
C125 C126 1.387(6) . ?
C125 C131 1.532(7) . ?
C126 C127 1.407(6) . ?
C126 H126 0.9500 . ?
C127 C134 1.525(6) . ?
C128 C129 1.526(6) . ?
C128 C130 1.531(6) . ?
C128 H128 1.0000 . ?
C129 H12G 0.9800 . ?
C129 H12H 0.9800 . ?
C129 H12I 0.9800 . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 C132 1.513(7) . ?
C131 C133 1.528(8) . ?
C131 H131 1.0000 . ?
C132 H13D 0.9800 . ?
C132 H13E 0.9800 . ?
C132 H13F 0.9800 . ?
C133 H13G 0.9800 . ?
C133 H13H 0.9800 . ?
C133 H13I 0.9800 . ?
C134 C136 1.519(7) . ?
C134 C135 1.526(7) . ?
C134 H134 1.0000 . ?
C135 H13J 0.9800 . ?
C135 H13K 0.9800 . ?
C135 H13L 0.9800 . ?
C136 H13M 0.9800 . ?
C136 H13N 0.9800 . ?
C136 H13O 0.9800 . ?
C137 C142 1.404(6) . ?
C137 C138 1.405(6) . ?
C137 Sn11 2.146(4) . ?
C137 Sn13 2.258(4) . ?
C138 C139 1.387(6) . ?
C138 C158 1.509(6) . ?
C139 C140 1.385(6) . ?
C139 H139 0.9500 . ?
C140 C141 1.396(6) . ?
C140 H140 0.9500 . ?
C141 C142 1.391(6) . ?
C141 H141 0.9500 . ?
C142 C143 1.502(6) . ?
C143 C144 1.411(6) . ?
C143 C148 1.420(6) . ?
C144 C145 1.388(6) . ?
C144 C149 1.512(7) . ?
C145 C146 1.397(8) . ?
C145 H145 0.9500 . ?
C146 C147 1.369(8) . ?
C146 C152 1.527(7) . ?
C147 C148 1.380(7) . ?
C147 H147 0.9500 . ?
C148 C155 1.526(7) . ?
C149 C151 1.500(7) . ?
C149 C150 1.532(6) . ?
C149 H149 1.0000 . ?
C150 H15D 0.9800 . ?
C150 H15E 0.9800 . ?
C150 H15F 0.9800 . ?
C151 H15G 0.9800 . ?
C151 H15H 0.9800 . ?
C151 H15I 0.9800 . ?
C152 C153 1.384(9) . ?
C152 C154 1.432(9) . ?
C152 H152 1.0000 . ?
C153 H15J 0.9800 . ?
C153 H15K 0.9800 . ?
C153 H15L 0.9800 . ?
C154 H15V 0.9800 . ?
C154 H15M 0.9800 . ?
C154 H15N 0.9800 . ?
C155 C156 1.512(8) . ?
C155 C157 1.540(7) . ?
C155 H155 1.0000 . ?
C156 H15O 0.9800 . ?
C156 H15P 0.9800 . ?
C156 H15Q 0.9800 . ?
C157 H15R 0.9800 . ?
C157 H15S 0.9800 . ?
C157 H15T 0.9800 . ?
C158 C163 1.403(6) . ?
C158 C159 1.410(6) . ?
C159 C160 1.386(6) . ?
C159 C164 1.532(6) . ?
C160 C161 1.398(6) . ?
C160 H160 0.9500 . ?
C161 C162 1.390(6) . ?
C161 C167 1.520(6) . ?
C162 C163 1.400(6) . ?
C162 H162 0.9500 . ?
C163 C170 1.525(6) . ?
C164 C166 1.516(7) . ?
C164 C165 1.528(7) . ?
C164 H164 1.0000 . ?
C165 H16D 0.9800 . ?
C165 H16E 0.9800 . ?
C165 H16F 0.9800 . ?
C166 H16G 0.9800 . ?
C166 H16H 0.9800 . ?
C166 H16I 0.9800 . ?
C167 C168 1.518(8) . ?
C167 C169 1.542(8) . ?
C167 H167 1.0000 . ?
C168 H16J 0.9800 . ?
C168 H16K 0.9800 . ?
C168 H16L 0.9800 . ?
C169 H16M 0.9800 . ?
C169 H16N 0.9800 . ?
C169 H16O 0.9800 . ?
C170 C171 1.511(7) . ?
C170 C172 1.515(7) . ?
C170 H170 1.0000 . ?
C171 H17A 0.9800 . ?
C171 H17B 0.9800 . ?
C171 H17C 0.9800 . ?
C172 H17D 0.9800 . ?
C172 H17E 0.9800 . ?
C172 H17F 0.9800 . ?
C117 C116 1.541(8) . ?
C117 H11D 0.9800 . ?
C117 H11E 0.9800 . ?
C117 H11F 0.9800 . ?
C116 C110 1.526(6) . ?
C116 H116 1.0000 . ?
C115 C113 1.532(7) . ?
C115 H11G 0.9800 . ?
C115 H11H 0.9800 . ?
C115 H11I 0.9800 . ?
C114 C113 1.531(7) . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C114 H11L 0.9800 . ?
C113 C112 1.513(6) . ?
C113 H113 1.0000 . ?
C112 C111 1.399(6) . ?
C112 C107 1.413(6) . ?
C111 C110 1.376(6) . ?
C111 H111 0.9500 . ?
C110 C109 1.395(6) . ?
C109 C108 1.399(6) . ?
C109 H109 0.9500 . ?
C108 C107 1.391(6) . ?
C107 C106 1.507(6) . ?
C106 C105 1.396(6) . ?
C106 C101 1.397(6) . ?
C105 C104 1.382(6) . ?
C105 H105 0.9500 . ?
C104 C103 1.369(6) . ?
C104 H104 0.9500 . ?
C103 C102 1.404(6) . ?
C103 H103 0.9500 . ?
C102 C101 1.408(5) . ?
C101 Sn12 2.185(4) . ?
C101 Sn10 2.228(4) . ?
C100 S100 1.547(5) . ?
C100 S103 1.584(5) . ?
C100 S102 1.591(5) . ?
C100 S101 1.608(5) . ?
C100 Sn12 2.361(6) . ?
C100 Sn11 2.391(6) . ?
C70 C68 1.545(8) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C69 C68 1.519(7) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C68 C60 1.519(6) . ?
C68 H68 1.0000 . ?
C67 C65 1.531(6) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C66 C65 1.539(6) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C65 C64 1.536(6) . ?
C65 H65 1.0000 . ?
C64 C63 1.395(6) . ?
C64 C59 1.399(5) . ?
C63 C62 1.381(8) . ?
C63 H63 0.9500 . ?
C62 C61 1.393(7) . ?
C62 C75 1.498(9) . ?
C62 C72 1.547(7) . ?
C61 C60 1.411(7) . ?
C61 H61 0.9500 . ?
C60 C59 1.395(6) . ?
C58 C56 1.520(8) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C57 C56 1.524(8) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C56 H56 1.0000 . ?
C55 C53 1.526(7) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C54 C53 1.543(7) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C53 H53 1.0000 . ?
C52 C50 1.510(7) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C51 C50 1.501(7) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C50 H50 1.0000 . ?
S100 Sn10 2.641(2) . ?
Sn11 HN1C 1.622(19) . ?
Sn11 HN1D 1.622(19) . ?
Sn10 S101 2.603(3) . ?
S102 Sn13 2.639(2) . ?
Sn13 S103 2.594(3) . ?
Sn12 HN1E 1.609(19) . ?
Sn12 HN1F 1.609(19) . ?
C71 C72 1.420(9) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 C73 1.424(8) . ?
C72 H72 1.0000 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 C75 1.304(11) . ?
C74 C76 1.941(19) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.369(11) . ?
C75 H75 1.0095 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
