# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_je81
_database_code_depnum_ccdc_archive 'CCDC 1500200'
_audit_update_record             
;
2016-08-20 deposited with the CCDC.
2016-09-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C62 H80 O2 Sn2'
_chemical_formula_sum            'C62 H80 O2 Sn2'
_chemical_formula_weight         1094.64

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.542(3)
_cell_length_b                   13.931(3)
_cell_length_c                   14.562(3)
_cell_angle_alpha                90
_cell_angle_beta                 97.201(3)
_cell_angle_gamma                90
_cell_volume                     2725.5(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9852
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_F_000             1136
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.311
_exptl_crystal_size_mid          0.310
_exptl_crystal_size_min          0.128
_exptl_absorpt_coefficient_mu    0.957
_shelx_estimated_absorpt_T_min   0.755
_shelx_estimated_absorpt_T_max   0.887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.807
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2015)'
_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker DUO CCD'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            36195
_diffrn_reflns_av_unetI/netI     0.0155
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.936
_diffrn_reflns_theta_max         27.546
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6271
_reflns_number_gt                5780
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2015)'
_computing_cell_refinement       'SAINT (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0240P)²+1.5174P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6271
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0179
_refine_ls_wR_factor_ref         0.0487
_refine_ls_wR_factor_gt          0.0473
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.57972(2) 0.60026(2) 0.50419(2) 0.01407(4) Uani 1 1 d . . . . .
O1 O 0.57619(7) 0.44847(7) 0.52517(7) 0.01660(19) Uani 1 1 d . . . . .
C1 C 0.64171(11) 0.40096(10) 0.59510(11) 0.0216(3) Uani 1 1 d . . . . .
H1A H 0.6972 0.3726 0.5674 0.032 Uiso 1 1 calc R U . . .
H1B H 0.6054 0.3502 0.6232 0.032 Uiso 1 1 calc R U . . .
H1C H 0.6675 0.4474 0.6427 0.032 Uiso 1 1 calc R U . . .
C2 C 0.61353(10) 0.63434(9) 0.65749(9) 0.0135(2) Uani 1 1 d . . . . .
C3 C 0.54786(10) 0.63048(9) 0.72566(9) 0.0145(2) Uani 1 1 d . . . . .
C4 C 0.57902(10) 0.66013(10) 0.81671(9) 0.0179(3) Uani 1 1 d . . . . .
H4 H 0.5346 0.6554 0.8621 0.021 Uiso 1 1 calc R U . . .
C5 C 0.67417(11) 0.69637(10) 0.84111(10) 0.0198(3) Uani 1 1 d . . . . .
H5 H 0.6950 0.7159 0.9030 0.024 Uiso 1 1 calc R U . . .
C6 C 0.73890(10) 0.70399(10) 0.77456(10) 0.0180(3) Uani 1 1 d . . . . .
H6 H 0.8033 0.7306 0.7908 0.022 Uiso 1 1 calc R U . . .
C7 C 0.70998(10) 0.67275(9) 0.68364(9) 0.0142(2) Uani 1 1 d . . . . .
C8 C 0.44044(10) 0.60366(10) 0.69953(9) 0.0161(3) Uani 1 1 d . . . . .
C9 C 0.40350(10) 0.51267(10) 0.72142(9) 0.0179(3) Uani 1 1 d . . . . .
C10 C 0.30472(11) 0.49013(11) 0.68795(10) 0.0230(3) Uani 1 1 d . . . . .
H10 H 0.2796 0.4281 0.6992 0.028 Uiso 1 1 calc R U . . .
C11 C 0.24265(11) 0.55701(12) 0.63850(11) 0.0249(3) Uani 1 1 d . . . . .
H11 H 0.1763 0.5399 0.6151 0.030 Uiso 1 1 calc R U . . .
C12 C 0.27766(11) 0.64857(11) 0.62333(10) 0.0227(3) Uani 1 1 d . . . . .
H12 H 0.2339 0.6948 0.5923 0.027 Uiso 1 1 calc R U . . .
C13 C 0.37643(10) 0.67350(10) 0.65311(10) 0.0182(3) Uani 1 1 d . . . . .
C14 C 0.46625(11) 0.44250(11) 0.78497(10) 0.0211(3) Uani 1 1 d . . . . .
H14 H 0.5379 0.4585 0.7827 0.025 Uiso 1 1 calc R U . . .
C15 C 0.44450(14) 0.45681(13) 0.88548(11) 0.0314(4) Uani 1 1 d . . . . .
H15A H 0.4593 0.5233 0.9045 0.047 Uiso 1 1 calc R U . . .
H15B H 0.4862 0.4131 0.9264 0.047 Uiso 1 1 calc R U . . .
H15C H 0.3742 0.4431 0.8894 0.047 Uiso 1 1 calc R U . . .
C16 C 0.45174(12) 0.33582(11) 0.76059(11) 0.0253(3) Uani 1 1 d . . . . .
H16A H 0.3845 0.3159 0.7707 0.038 Uiso 1 1 calc R U . . .
H16B H 0.5009 0.2976 0.8000 0.038 Uiso 1 1 calc R U . . .
H16C H 0.4606 0.3259 0.6955 0.038 Uiso 1 1 calc R U . . .
C17 C 0.41093(11) 0.77717(10) 0.64247(10) 0.0202(3) Uani 1 1 d . . . . .
H17 H 0.4828 0.7806 0.6684 0.024 Uiso 1 1 calc R U . . .
C18 C 0.40204(13) 0.81247(12) 0.54203(12) 0.0308(4) Uani 1 1 d . . . . .
H18A H 0.4425 0.7716 0.5066 0.046 Uiso 1 1 calc R U . . .
H18B H 0.4257 0.8789 0.5408 0.046 Uiso 1 1 calc R U . . .
H18C H 0.3323 0.8094 0.5145 0.046 Uiso 1 1 calc R U . . .
C19 C 0.35336(12) 0.84391(12) 0.70044(13) 0.0322(4) Uani 1 1 d . . . . .
H19A H 0.2824 0.8422 0.6766 0.048 Uiso 1 1 calc R U . . .
H19B H 0.3784 0.9096 0.6967 0.048 Uiso 1 1 calc R U . . .
H19C H 0.3625 0.8226 0.7651 0.048 Uiso 1 1 calc R U . . .
C20 C 0.78437(10) 0.68318(9) 0.61468(9) 0.0149(2) Uani 1 1 d . . . . .
C21 C 0.77631(10) 0.76046(10) 0.55057(10) 0.0178(3) Uani 1 1 d . . . . .
C22 C 0.84584(12) 0.76779(11) 0.48737(11) 0.0237(3) Uani 1 1 d . . . . .
H22 H 0.8403 0.8187 0.4436 0.028 Uiso 1 1 calc R U . . .
C23 C 0.92270(12) 0.70190(12) 0.48764(11) 0.0262(3) Uani 1 1 d . . . . .
H23 H 0.9688 0.7074 0.4438 0.031 Uiso 1 1 calc R U . . .
C24 C 0.93212(11) 0.62808(11) 0.55190(11) 0.0224(3) Uani 1 1 d . . . . .
H24 H 0.9857 0.5840 0.5524 0.027 Uiso 1 1 calc R U . . .
C25 C 0.86413(10) 0.61728(10) 0.61621(10) 0.0168(3) Uani 1 1 d . . . . .
C26 C 0.69819(11) 0.83917(10) 0.55318(10) 0.0208(3) Uani 1 1 d . . . . .
H26 H 0.6420 0.8121 0.5835 0.025 Uiso 1 1 calc R U . . .
C27 C 0.74350(13) 0.92301(12) 0.61305(12) 0.0306(4) Uani 1 1 d . . . . .
H27A H 0.7654 0.9000 0.6759 0.046 Uiso 1 1 calc R U . . .
H27B H 0.6933 0.9734 0.6153 0.046 Uiso 1 1 calc R U . . .
H27C H 0.8006 0.9491 0.5861 0.046 Uiso 1 1 calc R U . . .
C28 C 0.65542(13) 0.87594(12) 0.45693(12) 0.0302(4) Uani 1 1 d . . . . .
H28A H 0.7069 0.9117 0.4297 0.045 Uiso 1 1 calc R U . . .
H28B H 0.5987 0.9182 0.4626 0.045 Uiso 1 1 calc R U . . .
H28C H 0.6334 0.8214 0.4171 0.045 Uiso 1 1 calc R U . . .
C29 C 0.88063(10) 0.53764(10) 0.68828(10) 0.0180(3) Uani 1 1 d . . . . .
H29 H 0.8164 0.5265 0.7138 0.022 Uiso 1 1 calc R U . . .
C30 C 0.91267(11) 0.44235(10) 0.64790(11) 0.0241(3) Uani 1 1 d . . . . .
H30A H 0.8682 0.4273 0.5914 0.036 Uiso 1 1 calc R U . . .
H30B H 0.9091 0.3909 0.6933 0.036 Uiso 1 1 calc R U . . .
H30C H 0.9811 0.4481 0.6333 0.036 Uiso 1 1 calc R U . . .
C31 C 0.95922(12) 0.56792(12) 0.76897(11) 0.0255(3) Uani 1 1 d . . . . .
H31A H 1.0222 0.5819 0.7452 0.038 Uiso 1 1 calc R U . . .
H31B H 0.9691 0.5157 0.8143 0.038 Uiso 1 1 calc R U . . .
H31C H 0.9362 0.6254 0.7987 0.038 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 2.1379(11) . ?
Sn1 O1 2.2080(10) 3_666 ?
Sn1 C2 2.2720(14) . ?
O1 C1 1.4268(16) . ?
O1 Sn1 2.2080(10) 3_666 ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.4144(19) . ?
C2 C7 1.4187(18) . ?
C3 C4 1.4022(19) . ?
C3 C8 1.5039(19) . ?
C4 C5 1.388(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.4020(18) . ?
C6 H6 0.9500 . ?
C7 C20 1.5159(19) . ?
C8 C9 1.414(2) . ?
C8 C13 1.4170(19) . ?
C9 C10 1.401(2) . ?
C9 C14 1.529(2) . ?
C10 C11 1.393(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.388(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.397(2) . ?
C12 H12 0.9500 . ?
C13 C17 1.532(2) . ?
C14 C16 1.535(2) . ?
C14 C15 1.542(2) . ?
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 1.533(2) . ?
C17 C18 1.533(2) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C25 1.4156(19) . ?
C20 C21 1.4202(19) . ?
C21 C22 1.400(2) . ?
C21 C26 1.5274(19) . ?
C22 C23 1.387(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.401(2) . ?
C24 H24 0.9500 . ?
C25 C29 1.5243(19) . ?
C26 C28 1.536(2) . ?
C26 C27 1.538(2) . ?
C26 H26 1.0000 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.536(2) . ?
C29 C31 1.542(2) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?

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
O1 Sn1 O1 71.68(4) . 3_666 ?
O1 Sn1 C2 94.11(4) . . ?
O1 Sn1 C2 108.94(4) 3_666 . ?
C1 O1 Sn1 122.53(8) . . ?
C1 O1 Sn1 119.31(9) . 3_666 ?
Sn1 O1 Sn1 108.33(4) . 3_666 ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 C7 117.69(12) . . ?
C3 C2 Sn1 127.93(9) . . ?
C7 C2 Sn1 114.07(9) . . ?
C4 C3 C2 120.74(12) . . ?
C4 C3 C8 118.64(12) . . ?
C2 C3 C8 120.34(12) . . ?
C5 C4 C3 120.59(13) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 119.71(13) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C7 120.58(13) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C6 C7 C2 120.62(12) . . ?
C6 C7 C20 117.75(12) . . ?
C2 C7 C20 121.62(11) . . ?
C9 C8 C13 120.71(13) . . ?
C9 C8 C3 121.61(12) . . ?
C13 C8 C3 117.68(12) . . ?
C10 C9 C8 118.16(13) . . ?
C10 C9 C14 120.10(13) . . ?
C8 C9 C14 121.62(12) . . ?
C11 C10 C9 121.19(14) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C12 C11 C10 120.05(14) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 120.78(14) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C12 C13 C8 118.81(13) . . ?
C12 C13 C17 119.68(13) . . ?
C8 C13 C17 121.30(12) . . ?
C9 C14 C16 115.70(12) . . ?
C9 C14 C15 109.53(13) . . ?
C16 C14 C15 108.10(12) . . ?
C9 C14 H14 107.7 . . ?
C16 C14 H14 107.7 . . ?
C15 C14 H14 107.7 . . ?
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 . . ?
C13 C17 C19 109.48(13) . . ?
C13 C17 C18 114.23(12) . . ?
C19 C17 C18 110.26(13) . . ?
C13 C17 H17 107.5 . . ?
C19 C17 H17 107.5 . . ?
C18 C17 H17 107.5 . . ?
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 . . ?
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 . . ?
C25 C20 C21 119.84(12) . . ?
C25 C20 C7 119.77(12) . . ?
C21 C20 C7 120.36(12) . . ?
C22 C21 C20 118.99(13) . . ?
C22 C21 C26 119.27(13) . . ?
C20 C21 C26 121.61(13) . . ?
C23 C22 C21 121.06(14) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C24 C23 C22 119.90(14) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 121.23(14) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C24 C25 C20 118.93(13) . . ?
C24 C25 C29 119.10(13) . . ?
C20 C25 C29 121.91(12) . . ?
C21 C26 C28 113.57(13) . . ?
C21 C26 C27 109.32(12) . . ?
C28 C26 C27 109.99(13) . . ?
C21 C26 H26 107.9 . . ?
C28 C26 H26 107.9 . . ?
C27 C26 H26 107.9 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C29 C30 112.93(12) . . ?
C25 C29 C31 110.67(12) . . ?
C30 C29 C31 109.08(12) . . ?
C25 C29 H29 108.0 . . ?
C30 C29 H29 108.0 . . ?
C31 C29 H29 108.0 . . ?
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 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7 C2 C3 C4 -2.54(19) . . . . ?
Sn1 C2 C3 C4 -175.70(10) . . . . ?
C7 C2 C3 C8 171.44(12) . . . . ?
Sn1 C2 C3 C8 -1.72(18) . . . . ?
C2 C3 C4 C5 1.8(2) . . . . ?
C8 C3 C4 C5 -172.28(13) . . . . ?
C3 C4 C5 C6 0.5(2) . . . . ?
C4 C5 C6 C7 -1.9(2) . . . . ?
C5 C6 C7 C2 1.1(2) . . . . ?
C5 C6 C7 C20 -179.97(12) . . . . ?
C3 C2 C7 C6 1.11(19) . . . . ?
Sn1 C2 C7 C6 175.21(10) . . . . ?
C3 C2 C7 C20 -177.79(12) . . . . ?
Sn1 C2 C7 C20 -3.69(15) . . . . ?
C4 C3 C8 C9 -80.20(17) . . . . ?
C2 C3 C8 C9 105.70(16) . . . . ?
C4 C3 C8 C13 98.86(15) . . . . ?
C2 C3 C8 C13 -75.24(17) . . . . ?
C13 C8 C9 C10 6.3(2) . . . . ?
C3 C8 C9 C10 -174.70(13) . . . . ?
C13 C8 C9 C14 -169.75(13) . . . . ?
C3 C8 C9 C14 9.3(2) . . . . ?
C8 C9 C10 C11 -3.3(2) . . . . ?
C14 C9 C10 C11 172.81(14) . . . . ?
C9 C10 C11 C12 -1.4(2) . . . . ?
C10 C11 C12 C13 3.2(2) . . . . ?
C11 C12 C13 C8 -0.2(2) . . . . ?
C11 C12 C13 C17 -175.11(14) . . . . ?
C9 C8 C13 C12 -4.6(2) . . . . ?
C3 C8 C13 C12 176.35(12) . . . . ?
C9 C8 C13 C17 170.22(13) . . . . ?
C3 C8 C13 C17 -8.85(19) . . . . ?
C10 C9 C14 C16 39.22(19) . . . . ?
C8 C9 C14 C16 -144.84(13) . . . . ?
C10 C9 C14 C15 -83.23(17) . . . . ?
C8 C9 C14 C15 92.71(16) . . . . ?
C12 C13 C17 C19 62.63(18) . . . . ?
C8 C13 C17 C19 -112.12(15) . . . . ?
C12 C13 C17 C18 -61.56(18) . . . . ?
C8 C13 C17 C18 123.68(15) . . . . ?
C6 C7 C20 C25 77.43(16) . . . . ?
C2 C7 C20 C25 -103.64(15) . . . . ?
C6 C7 C20 C21 -100.53(15) . . . . ?
C2 C7 C20 C21 78.40(16) . . . . ?
C25 C20 C21 C22 2.4(2) . . . . ?
C7 C20 C21 C22 -179.62(13) . . . . ?
C25 C20 C21 C26 -173.42(12) . . . . ?
C7 C20 C21 C26 4.55(19) . . . . ?
C20 C21 C22 C23 -1.0(2) . . . . ?
C26 C21 C22 C23 174.92(14) . . . . ?
C21 C22 C23 C24 -0.8(2) . . . . ?
C22 C23 C24 C25 1.2(2) . . . . ?
C23 C24 C25 C20 0.3(2) . . . . ?
C23 C24 C25 C29 -177.20(14) . . . . ?
C21 C20 C25 C24 -2.0(2) . . . . ?
C7 C20 C25 C24 179.98(12) . . . . ?
C21 C20 C25 C29 175.34(12) . . . . ?
C7 C20 C25 C29 -2.64(19) . . . . ?
C22 C21 C26 C28 40.08(18) . . . . ?
C20 C21 C26 C28 -144.10(14) . . . . ?
C22 C21 C26 C27 -83.16(17) . . . . ?
C20 C21 C26 C27 92.66(16) . . . . ?
C24 C25 C29 C30 -42.50(18) . . . . ?
C20 C25 C29 C30 140.12(13) . . . . ?
C24 C25 C29 C31 80.12(16) . . . . ?
C20 C25 C29 C31 -97.26(15) . . . . ?

_refine_diff_density_max         0.456
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.055

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_je93x
_database_code_depnum_ccdc_archive 'CCDC 1500201'
_audit_update_record             
;
2016-08-20 deposited with the CCDC.
2016-09-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H60.15 N Sn2, 2(C3.5 H4)'
_chemical_formula_sum            'C59 H69 N Sn2'
_chemical_formula_weight         1029.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   25.5341(12)
_cell_length_b                   22.0810(11)
_cell_length_c                   21.1566(16)
_cell_angle_alpha                90
_cell_angle_beta                 122.3359(11)
_cell_angle_gamma                90
_cell_volume                     10078.7(10)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9298
_cell_measurement_theta_min      2.59
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_F_000             4240
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.460
_exptl_crystal_size_mid          0.312
_exptl_crystal_size_min          0.184
_exptl_absorpt_coefficient_mu    1.029
_shelx_estimated_absorpt_T_min   0.649
_shelx_estimated_absorpt_T_max   0.833
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.795
_exptl_absorpt_correction_T_max  0.883
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker Kappa DUO'
_diffrn_measurement_method       'φ and ω'
_diffrn_detector_area_resol_mean 10.82
_diffrn_reflns_number            168181
_diffrn_reflns_av_unetI/netI     0.0197
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.168
_diffrn_reflns_theta_max         27.565
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11633
_reflns_number_gt                10305
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex 3 (Bruker, 2016)'
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_reduction        'SAINT (Bruker, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          
;The hydride hydrogen atom was located in a difference Fourier map
and was refined with a distance restraint of 1.73(2)Å and the 
isotropic thermal parameter was fixed at 0.03 Å².
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0479P)²+83.7112P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11633
_refine_ls_number_parameters     581
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0426
_refine_ls_wR_factor_ref         0.1123
_refine_ls_wR_factor_gt          0.1090
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.78315(2) 0.59406(2) 0.84344(2) 0.01718(7) Uani 1 1 d D . . . .
Sn2 Sn 0.69971(2) 0.57332(2) 0.66520(2) 0.02163(7) Uani 1 1 d D . . . .
H1 H 0.7416(15) 0.5550(8) 0.7595(4) 0.020 Uiso 1 1 d D U . . .
N1 N 0.74579(12) 0.65324(13) 0.74187(15) 0.0160(5) Uani 1 1 d . . . . .
C1 C 0.79183(16) 0.67891(17) 0.7270(2) 0.0226(7) Uani 1 1 d . . . . .
H1A H 0.8169 0.6454 0.7254 0.027 Uiso 1 1 calc R U . . .
H1B H 0.8202 0.7058 0.7690 0.027 Uiso 1 1 calc R U . . .
C2 C 0.7636(2) 0.7146(2) 0.6545(2) 0.0381(10) Uani 1 1 d . . . . .
H2A H 0.7336 0.6891 0.6127 0.057 Uiso 1 1 calc R U . . .
H2B H 0.7964 0.7270 0.6464 0.057 Uiso 1 1 calc R U . . .
H2C H 0.7426 0.7506 0.6576 0.057 Uiso 1 1 calc R U . . .
C3 C 0.70436(15) 0.70004(15) 0.74196(18) 0.0182(6) Uani 1 1 d . . . . .
H3A H 0.6743 0.6800 0.7510 0.022 Uiso 1 1 calc R U . . .
H3B H 0.6806 0.7188 0.6917 0.022 Uiso 1 1 calc R U . . .
C4 C 0.73712(18) 0.74974(17) 0.7996(2) 0.0281(8) Uani 1 1 d . . . . .
H4A H 0.7639 0.7727 0.7882 0.042 Uiso 1 1 calc R U . . .
H4B H 0.7623 0.7317 0.8495 0.042 Uiso 1 1 calc R U . . .
H4C H 0.7063 0.7770 0.7984 0.042 Uiso 1 1 calc R U . . .
C5 C 0.87926(14) 0.58218(14) 0.86662(16) 0.0138(6) Uani 1 1 d . . . . .
C6 C 0.90146(14) 0.54571(14) 0.83083(17) 0.0148(6) Uani 1 1 d . . . . .
C7 C 0.96478(15) 0.54469(16) 0.85720(19) 0.0197(6) Uani 1 1 d . . . . .
H7 H 0.9790 0.5203 0.8323 0.024 Uiso 1 1 calc R U . . .
C8 C 1.00721(16) 0.57861(16) 0.9189(2) 0.0222(7) Uani 1 1 d . . . . .
H8 H 1.0500 0.5777 0.9358 0.027 Uiso 1 1 calc R U . . .
C9 C 0.98652(15) 0.61395(15) 0.95550(18) 0.0194(6) Uani 1 1 d . . . . .
H9 H 1.0153 0.6370 0.9981 0.023 Uiso 1 1 calc R U . . .
C10 C 0.92355(14) 0.61579(14) 0.92998(16) 0.0142(6) Uani 1 1 d . . . . .
C11 C 0.85944(14) 0.50576(14) 0.76564(17) 0.0148(6) Uani 1 1 d . . . . .
C12 C 0.84914(15) 0.51702(15) 0.69410(18) 0.0172(6) Uani 1 1 d . . . . .
C13 C 0.80888(16) 0.47929(16) 0.63462(18) 0.0205(7) Uani 1 1 d . . . . .
H13 H 0.8020 0.4870 0.5866 0.025 Uiso 1 1 calc R U . . .
C14 C 0.77866(16) 0.43111(16) 0.64322(19) 0.0222(7) Uani 1 1 d . . . . .
C15 C 0.79117(16) 0.41903(15) 0.71476(19) 0.0213(7) Uani 1 1 d . . . . .
H15 H 0.7717 0.3854 0.7219 0.026 Uiso 1 1 calc R U . . .
C16 C 0.83156(15) 0.45505(15) 0.77606(18) 0.0176(6) Uani 1 1 d . . . . .
C17 C 0.87973(18) 0.56837(17) 0.6790(2) 0.0251(7) Uani 1 1 d . . . . .
H17A H 0.8913 0.6002 0.7165 0.038 Uiso 1 1 calc R U . . .
H17B H 0.8509 0.5849 0.6291 0.038 Uiso 1 1 calc R U . . .
H17C H 0.9170 0.5535 0.6816 0.038 Uiso 1 1 calc R U . . .
C18 C 0.73260(19) 0.39330(19) 0.5767(2) 0.0325(9) Uani 1 1 d . . . . .
H18A H 0.7319 0.3520 0.5934 0.049 Uiso 1 1 calc R U . . .
H18B H 0.7448 0.3921 0.5400 0.049 Uiso 1 1 calc R U . . .
H18C H 0.6912 0.4113 0.5538 0.049 Uiso 1 1 calc R U . . .
C19 C 0.84450(17) 0.43792(16) 0.8522(2) 0.0236(7) Uani 1 1 d . . . . .
H19A H 0.8178 0.4617 0.8631 0.035 Uiso 1 1 calc R U . . .
H19B H 0.8880 0.4463 0.8902 0.035 Uiso 1 1 calc R U . . .
H19C H 0.8361 0.3947 0.8528 0.035 Uiso 1 1 calc R U . . .
C20 C 0.90361(14) 0.65376(14) 0.97260(16) 0.0147(6) Uani 1 1 d . . . . .
C21 C 0.89137(15) 0.62613(15) 1.02329(17) 0.0183(6) Uani 1 1 d . . . . .
C22 C 0.86993(16) 0.66133(17) 1.05938(18) 0.0219(7) Uani 1 1 d . . . . .
H22 H 0.8611 0.6425 1.0931 0.026 Uiso 1 1 calc R U . . .
C23 C 0.86104(16) 0.72353(17) 1.04735(19) 0.0230(7) Uani 1 1 d . . . . .
C24 C 0.87623(15) 0.75034(15) 1.00032(18) 0.0199(6) Uani 1 1 d . . . . .
H24 H 0.8718 0.7930 0.9933 0.024 Uiso 1 1 calc R U . . .
C25 C 0.89784(14) 0.71705(15) 0.96263(17) 0.0163(6) Uani 1 1 d . . . . .
C26 C 0.90022(19) 0.55902(16) 1.0383(2) 0.0257(7) Uani 1 1 d . . . . .
H26A H 0.8655 0.5372 0.9966 0.039 Uiso 1 1 calc R U . . .
H26B H 0.9018 0.5499 1.0846 0.039 Uiso 1 1 calc R U . . .
H26C H 0.9391 0.5463 1.0433 0.039 Uiso 1 1 calc R U . . .
C27 C 0.8358(2) 0.7606(2) 1.0852(2) 0.0339(9) Uani 1 1 d . . . . .
H27A H 0.8597 0.7520 1.1390 0.051 Uiso 1 1 calc R U . . .
H27B H 0.7922 0.7500 1.0642 0.051 Uiso 1 1 calc R U . . .
H27C H 0.8390 0.8037 1.0771 0.051 Uiso 1 1 calc R U . . .
C28 C 0.91540(16) 0.74946(15) 0.91387(19) 0.0215(7) Uani 1 1 d . . . . .
H28A H 0.8918 0.7873 0.8954 0.032 Uiso 1 1 calc R U . . .
H28B H 0.9060 0.7236 0.8714 0.032 Uiso 1 1 calc R U . . .
H28C H 0.9598 0.7586 0.9431 0.032 Uiso 1 1 calc R U . . .
C29 C 0.60505(15) 0.57923(14) 0.64775(17) 0.0158(6) Uani 1 1 d . . . . .
C30 C 0.58256(15) 0.54273(15) 0.68304(17) 0.0170(6) Uani 1 1 d . . . . .
C31 C 0.51980(16) 0.54385(16) 0.65914(19) 0.0212(7) Uani 1 1 d . . . . .
H31 H 0.5057 0.5198 0.6844 0.025 Uiso 1 1 calc R U . . .
C32 C 0.47789(16) 0.57943(18) 0.5992(2) 0.0247(7) Uani 1 1 d . . . . .
H32 H 0.4352 0.5793 0.5829 0.030 Uiso 1 1 calc R U . . .
C33 C 0.49877(16) 0.61521(17) 0.56333(19) 0.0223(7) Uani 1 1 d . . . . .
H33 H 0.4702 0.6398 0.5223 0.027 Uiso 1 1 calc R U . . .
C34 C 0.56134(15) 0.61549(15) 0.58687(17) 0.0168(6) Uani 1 1 d . . . . .
C35 C 0.62402(15) 0.50115(15) 0.74665(18) 0.0183(6) Uani 1 1 d . . . . .
C36 C 0.64517(15) 0.51893(16) 0.82023(19) 0.0199(6) Uani 1 1 d . . . . .
C37 C 0.68329(17) 0.47975(18) 0.8791(2) 0.0263(7) Uani 1 1 d . . . . .
H37 H 0.6978 0.4919 0.9289 0.032 Uiso 1 1 calc R U . . .
C38 C 0.70065(18) 0.42340(18) 0.8669(2) 0.0300(8) Uani 1 1 d . . . . .
C39 C 0.67835(19) 0.40626(17) 0.7937(2) 0.0302(8) Uani 1 1 d . . . . .
H39 H 0.6892 0.3676 0.7844 0.036 Uiso 1 1 calc R U . . .
C40 C 0.64039(17) 0.44414(16) 0.7333(2) 0.0237(7) Uani 1 1 d . . . . .
C41 C 0.62874(17) 0.58010(17) 0.8358(2) 0.0240(7) Uani 1 1 d . . . . .
H41A H 0.6411 0.6116 0.8137 0.036 Uiso 1 1 calc R U . . .
H41B H 0.6505 0.5863 0.8900 0.036 Uiso 1 1 calc R U . . .
H41C H 0.5839 0.5823 0.8139 0.036 Uiso 1 1 calc R U . . .
C42 C 0.7440(2) 0.3829(2) 0.9320(3) 0.0444(11) Uani 1 1 d . . . . .
H42A H 0.7364 0.3405 0.9157 0.067 Uiso 1 1 calc R U . . .
H42B H 0.7365 0.3884 0.9726 0.067 Uiso 1 1 calc R U . . .
H42C H 0.7870 0.3935 0.9500 0.067 Uiso 1 1 calc R U . . .
C43 C 0.6169(2) 0.42288(19) 0.6544(2) 0.0350(9) Uani 1 1 d . . . . .
H43A H 0.5719 0.4172 0.6273 0.052 Uiso 1 1 calc R U . . .
H43B H 0.6369 0.3844 0.6563 0.052 Uiso 1 1 calc R U . . .
H43C H 0.6268 0.4533 0.6286 0.052 Uiso 1 1 calc R U . . .
C44 C 0.58036(14) 0.65542(16) 0.54531(17) 0.0176(6) Uani 1 1 d . . . . .
C45 C 0.59235(15) 0.63066(17) 0.49272(17) 0.0205(7) Uani 1 1 d . . . . .
C46 C 0.61085(16) 0.66863(19) 0.45590(18) 0.0243(7) Uani 1 1 d . . . . .
H46 H 0.6194 0.6517 0.4211 0.029 Uiso 1 1 calc R U . . .
C47 C 0.61722(16) 0.73077(18) 0.46850(18) 0.0240(7) Uani 1 1 d . . . . .
C48 C 0.60258(15) 0.75511(17) 0.51788(18) 0.0216(7) Uani 1 1 d . . . . .
H48 H 0.6057 0.7976 0.5260 0.026 Uiso 1 1 calc R U . . .
C49 C 0.58348(15) 0.71862(16) 0.55563(17) 0.0184(6) Uani 1 1 d . . . . .
C50 C 0.58212(18) 0.56433(18) 0.4727(2) 0.0272(8) Uani 1 1 d . . . . .
H50A H 0.6026 0.5400 0.5185 0.041 Uiso 1 1 calc R U . . .
H50B H 0.5996 0.5542 0.4425 0.041 Uiso 1 1 calc R U . . .
H50C H 0.5376 0.5556 0.4439 0.041 Uiso 1 1 calc R U . . .
C51 C 0.63896(19) 0.7709(2) 0.4296(2) 0.0345(9) Uani 1 1 d . . . . .
H51A H 0.6256 0.8126 0.4290 0.052 Uiso 1 1 calc R U . . .
H51B H 0.6212 0.7568 0.3782 0.052 Uiso 1 1 calc R U . . .
H51C H 0.6843 0.7695 0.4564 0.052 Uiso 1 1 calc R U . . .
C52 C 0.56429(16) 0.74847(16) 0.60457(19) 0.0214(7) Uani 1 1 d . . . . .
H52A H 0.5199 0.7577 0.5746 0.032 Uiso 1 1 calc R U . . .
H52B H 0.5877 0.7861 0.6254 0.032 Uiso 1 1 calc R U . . .
H52C H 0.5728 0.7210 0.6454 0.032 Uiso 1 1 calc R U . . .
C53 C 0.5000 0.6867(2) 0.2500 0.0253(10) Uani 1 2 d S T P . .
C55 C 0.47675(18) 0.71934(19) 0.2860(2) 0.0277(8) Uani 1 1 d . . . . .
H55 H 0.4606 0.6982 0.3111 0.033 Uiso 1 1 calc R U . . .
C56 C 0.47666(18) 0.78211(19) 0.2861(2) 0.0289(8) Uani 1 1 d . . . . .
H56 H 0.4605 0.8035 0.3111 0.035 Uiso 1 1 calc R U . . .
C57 C 0.5000 0.8136(3) 0.2500 0.0278(11) Uani 1 2 d S T P . .
H57 H 0.5000 0.8567 0.2500 0.033 Uiso 1 2 calc R U P . .
C58 C 0.5000 0.6186(3) 0.2500 0.0369(13) Uani 1 2 d S T P . .
H58A H 0.5278 0.6038 0.3012 0.055 Uiso 0.5 1 calc R U P A -1
H58B H 0.5143 0.6038 0.2181 0.055 Uiso 0.5 1 calc R U P A -1
H58C H 0.4579 0.6038 0.2307 0.055 Uiso 0.5 1 calc R U P A -1
C59 C 1.0000 0.2852(2) 0.7500 0.0265(11) Uani 1 2 d S T P . .
C60 C 0.95860(18) 0.31772(19) 0.7604(2) 0.0280(8) Uani 1 1 d . . . . .
H60 H 0.9297 0.2966 0.7675 0.034 Uiso 1 1 calc R U . . .
C61 C 0.95866(19) 0.38013(19) 0.7607(2) 0.0291(8) Uani 1 1 d . . . . .
H61 H 0.9301 0.4015 0.7682 0.035 Uiso 1 1 calc R U . . .
C62 C 1.0000 0.4118(2) 0.7500 0.0271(11) Uani 1 2 d S T P . .
H62 H 1.0000 0.4548 0.7500 0.033 Uiso 1 2 calc R U P . .
C63 C 1.0000 0.2168(3) 0.7500 0.055(2) Uani 1 2 d S T P . .
H63A H 1.0109 0.2020 0.7993 0.083 Uiso 0.5 1 calc R U P B -1
H63B H 1.0304 0.2020 0.7389 0.083 Uiso 0.5 1 calc R U P B -1
H63C H 0.9587 0.2020 0.7118 0.083 Uiso 0.5 1 calc R U P B -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N1 2.245(3) . ?
Sn1 C5 2.246(3) . ?
Sn1 Sn2 3.2209(4) . ?
Sn1 H1 1.735(10) . ?
Sn2 C29 2.245(3) . ?
Sn2 N1 2.256(3) . ?
Sn2 H1 1.733(10) . ?
N1 C3 1.480(4) . ?
N1 C1 1.483(4) . ?
C1 C2 1.520(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.517(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.415(4) . ?
C5 C10 1.416(4) . ?
C6 C7 1.400(4) . ?
C6 C11 1.500(4) . ?
C7 C8 1.387(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.388(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.397(4) . ?
C9 H9 0.9500 . ?
C10 C20 1.505(4) . ?
C11 C16 1.406(5) . ?
C11 C12 1.413(4) . ?
C12 C13 1.397(4) . ?
C12 C17 1.505(5) . ?
C13 C14 1.382(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.395(5) . ?
C14 C18 1.513(5) . ?
C15 C16 1.395(4) . ?
C15 H15 0.9500 . ?
C16 C19 1.510(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.407(4) . ?
C20 C25 1.409(4) . ?
C21 C22 1.391(5) . ?
C21 C26 1.507(5) . ?
C22 C23 1.393(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.380(5) . ?
C23 C27 1.511(5) . ?
C24 C25 1.397(4) . ?
C24 H24 0.9500 . ?
C25 C28 1.507(5) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.412(4) . ?
C29 C34 1.417(4) . ?
C30 C31 1.399(5) . ?
C30 C35 1.500(4) . ?
C31 C32 1.385(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.385(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.396(4) . ?
C33 H33 0.9500 . ?
C34 C44 1.498(5) . ?
C35 C40 1.402(5) . ?
C35 C36 1.403(5) . ?
C36 C37 1.396(5) . ?
C36 C41 1.502(5) . ?
C37 C38 1.391(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.386(6) . ?
C38 C42 1.514(5) . ?
C39 C40 1.396(5) . ?
C39 H39 0.9500 . ?
C40 C43 1.515(5) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C49 1.408(5) . ?
C44 C45 1.412(4) . ?
C45 C46 1.388(5) . ?
C45 C50 1.508(5) . ?
C46 C47 1.391(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.392(5) . ?
C47 C51 1.503(5) . ?
C48 C49 1.393(5) . ?
C48 H48 0.9500 . ?
C49 C52 1.513(4) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C55 1.392(5) 2_655 ?
C53 C55 1.392(5) . ?
C53 C58 1.504(8) . ?
C55 C56 1.386(6) . ?
C55 H55 0.9500 . ?
C56 C57 1.383(5) . ?
C56 H56 0.9500 . ?
C57 C56 1.383(5) 2_655 ?
C57 H57 0.9500 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.390(5) 2_756 ?
C59 C60 1.390(5) . ?
C59 C63 1.509(8) . ?
C60 C61 1.378(6) . ?
C60 H60 0.9500 . ?
C61 C62 1.382(5) . ?
C61 H61 0.9500 . ?
C62 C61 1.382(5) 2_756 ?
C62 H62 0.9500 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?

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 Sn1 C5 97.60(10) . . ?
N1 Sn1 Sn2 44.44(7) . . ?
C5 Sn1 Sn2 101.56(8) . . ?
N1 Sn1 H1 66.1(6) . . ?
C5 Sn1 H1 99.4(13) . . ?
Sn2 Sn1 H1 21.7(6) . . ?
C29 Sn2 N1 100.04(10) . . ?
C29 Sn2 Sn1 99.44(8) . . ?
N1 Sn2 Sn1 44.18(7) . . ?
C29 Sn2 H1 98.6(13) . . ?
N1 Sn2 H1 65.9(6) . . ?
Sn1 Sn2 H1 21.7(6) . . ?
C3 N1 C1 112.5(3) . . ?
C3 N1 Sn1 110.07(19) . . ?
C1 N1 Sn1 116.5(2) . . ?
C3 N1 Sn2 116.68(19) . . ?
C1 N1 Sn2 108.3(2) . . ?
Sn1 N1 Sn2 91.38(10) . . ?
N1 C1 C2 114.3(3) . . ?
N1 C1 H1A 108.7 . . ?
C2 C1 H1A 108.7 . . ?
N1 C1 H1B 108.7 . . ?
C2 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 C4 114.8(3) . . ?
N1 C3 H3A 108.6 . . ?
C4 C3 H3A 108.6 . . ?
N1 C3 H3B 108.6 . . ?
C4 C3 H3B 108.6 . . ?
H3A C3 H3B 107.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C10 117.3(3) . . ?
C6 C5 Sn1 130.8(2) . . ?
C10 C5 Sn1 111.8(2) . . ?
C7 C6 C5 120.2(3) . . ?
C7 C6 C11 117.6(3) . . ?
C5 C6 C11 122.2(3) . . ?
C8 C7 C6 121.4(3) . . ?
C8 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C7 C8 C9 119.3(3) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C8 C9 C10 120.3(3) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C9 C10 C5 121.5(3) . . ?
C9 C10 C20 118.2(3) . . ?
C5 C10 C20 120.3(3) . . ?
C16 C11 C12 119.2(3) . . ?
C16 C11 C6 119.8(3) . . ?
C12 C11 C6 120.9(3) . . ?
C13 C12 C11 119.1(3) . . ?
C13 C12 C17 118.3(3) . . ?
C11 C12 C17 122.7(3) . . ?
C14 C13 C12 122.3(3) . . ?
C14 C13 H13 118.9 . . ?
C12 C13 H13 118.9 . . ?
C13 C14 C15 118.0(3) . . ?
C13 C14 C18 120.9(3) . . ?
C15 C14 C18 121.1(3) . . ?
C16 C15 C14 121.7(3) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C15 C16 C11 119.5(3) . . ?
C15 C16 C19 118.7(3) . . ?
C11 C16 C19 121.8(3) . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C25 119.8(3) . . ?
C21 C20 C10 119.9(3) . . ?
C25 C20 C10 120.3(3) . . ?
C22 C21 C20 119.3(3) . . ?
C22 C21 C26 119.5(3) . . ?
C20 C21 C26 121.2(3) . . ?
C21 C22 C23 121.6(3) . . ?
C21 C22 H22 119.2 . . ?
C23 C22 H22 119.2 . . ?
C24 C23 C22 118.3(3) . . ?
C24 C23 C27 121.0(3) . . ?
C22 C23 C27 120.7(4) . . ?
C23 C24 C25 122.3(3) . . ?
C23 C24 H24 118.8 . . ?
C25 C24 H24 118.8 . . ?
C24 C25 C20 118.6(3) . . ?
C24 C25 C28 119.6(3) . . ?
C20 C25 C28 121.9(3) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C34 117.2(3) . . ?
C30 C29 Sn2 125.9(2) . . ?
C34 C29 Sn2 115.9(2) . . ?
C31 C30 C29 120.7(3) . . ?
C31 C30 C35 117.2(3) . . ?
C29 C30 C35 122.2(3) . . ?
C32 C31 C30 121.0(3) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C31 C32 C33 119.3(3) . . ?
C31 C32 H32 120.3 . . ?
C33 C32 H32 120.3 . . ?
C32 C33 C34 120.6(3) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C33 C34 C29 121.1(3) . . ?
C33 C34 C44 117.5(3) . . ?
C29 C34 C44 121.4(3) . . ?
C40 C35 C36 119.7(3) . . ?
C40 C35 C30 120.8(3) . . ?
C36 C35 C30 119.5(3) . . ?
C37 C36 C35 119.1(3) . . ?
C37 C36 C41 120.3(3) . . ?
C35 C36 C41 120.5(3) . . ?
C38 C37 C36 121.9(3) . . ?
C38 C37 H37 119.1 . . ?
C36 C37 H37 119.1 . . ?
C39 C38 C37 118.1(3) . . ?
C39 C38 C42 121.3(4) . . ?
C37 C38 C42 120.7(4) . . ?
C38 C39 C40 121.9(4) . . ?
C38 C39 H39 119.0 . . ?
C40 C39 H39 119.0 . . ?
C39 C40 C35 119.3(3) . . ?
C39 C40 C43 119.7(3) . . ?
C35 C40 C43 121.0(3) . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C38 C42 H42A 109.5 . . ?
C38 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C38 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C49 C44 C45 119.2(3) . . ?
C49 C44 C34 120.1(3) . . ?
C45 C44 C34 120.6(3) . . ?
C46 C45 C44 119.4(3) . . ?
C46 C45 C50 119.2(3) . . ?
C44 C45 C50 121.3(3) . . ?
C45 C46 C47 121.9(3) . . ?
C45 C46 H46 119.0 . . ?
C47 C46 H46 119.0 . . ?
C46 C47 C48 118.3(3) . . ?
C46 C47 C51 121.1(3) . . ?
C48 C47 C51 120.6(4) . . ?
C47 C48 C49 121.6(3) . . ?
C47 C48 H48 119.2 . . ?
C49 C48 H48 119.2 . . ?
C48 C49 C44 119.5(3) . . ?
C48 C49 C52 118.8(3) . . ?
C44 C49 C52 121.7(3) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C47 C51 H51A 109.5 . . ?
C47 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C47 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C55 C53 C55 117.6(5) 2_655 . ?
C55 C53 C58 121.2(3) 2_655 . ?
C55 C53 C58 121.2(3) . . ?
C56 C55 C53 121.4(4) . . ?
C56 C55 H55 119.3 . . ?
C53 C55 H55 119.3 . . ?
C57 C56 C55 120.1(4) . . ?
C57 C56 H56 120.0 . . ?
C55 C56 H56 120.0 . . ?
C56 C57 C56 119.5(5) . 2_655 ?
C56 C57 H57 120.2 . . ?
C56 C57 H57 120.2 2_655 . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 C60 117.8(5) 2_756 . ?
C60 C59 C63 121.1(2) 2_756 . ?
C60 C59 C63 121.1(2) . . ?
C61 C60 C59 121.2(4) . . ?
C61 C60 H60 119.4 . . ?
C59 C60 H60 119.4 . . ?
C60 C61 C62 120.4(4) . . ?
C60 C61 H61 119.8 . . ?
C62 C61 H61 119.8 . . ?
C61 C62 C61 119.1(5) 2_756 . ?
C61 C62 H62 120.4 2_756 . ?
C61 C62 H62 120.4 . . ?
C59 C63 H63A 109.5 . . ?
C59 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C59 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 N1 C1 C2 -56.0(4) . . . . ?
Sn1 N1 C1 C2 175.6(3) . . . . ?
Sn2 N1 C1 C2 74.4(4) . . . . ?
C1 N1 C3 C4 -59.6(4) . . . . ?
Sn1 N1 C3 C4 72.1(3) . . . . ?
Sn2 N1 C3 C4 174.4(2) . . . . ?
C10 C5 C6 C7 -1.3(5) . . . . ?
Sn1 C5 C6 C7 -178.2(2) . . . . ?
C10 C5 C6 C11 176.9(3) . . . . ?
Sn1 C5 C6 C11 0.0(5) . . . . ?
C5 C6 C7 C8 0.6(5) . . . . ?
C11 C6 C7 C8 -177.7(3) . . . . ?
C6 C7 C8 C9 0.5(6) . . . . ?
C7 C8 C9 C10 -0.7(5) . . . . ?
C8 C9 C10 C5 -0.1(5) . . . . ?
C8 C9 C10 C20 178.7(3) . . . . ?
C6 C5 C10 C9 1.1(5) . . . . ?
Sn1 C5 C10 C9 178.6(2) . . . . ?
C6 C5 C10 C20 -177.7(3) . . . . ?
Sn1 C5 C10 C20 -0.2(4) . . . . ?
C7 C6 C11 C16 110.4(4) . . . . ?
C5 C6 C11 C16 -67.8(4) . . . . ?
C7 C6 C11 C12 -67.2(4) . . . . ?
C5 C6 C11 C12 114.5(4) . . . . ?
C16 C11 C12 C13 3.4(5) . . . . ?
C6 C11 C12 C13 -179.0(3) . . . . ?
C16 C11 C12 C17 -176.8(3) . . . . ?
C6 C11 C12 C17 0.8(5) . . . . ?
C11 C12 C13 C14 -0.1(5) . . . . ?
C17 C12 C13 C14 -179.9(3) . . . . ?
C12 C13 C14 C15 -2.5(5) . . . . ?
C12 C13 C14 C18 176.5(3) . . . . ?
C13 C14 C15 C16 1.7(5) . . . . ?
C18 C14 C15 C16 -177.3(3) . . . . ?
C14 C15 C16 C11 1.5(5) . . . . ?
C14 C15 C16 C19 -177.9(3) . . . . ?
C12 C11 C16 C15 -4.1(5) . . . . ?
C6 C11 C16 C15 178.2(3) . . . . ?
C12 C11 C16 C19 175.4(3) . . . . ?
C6 C11 C16 C19 -2.3(5) . . . . ?
C9 C10 C20 C21 -100.3(4) . . . . ?
C5 C10 C20 C21 78.6(4) . . . . ?
C9 C10 C20 C25 79.0(4) . . . . ?
C5 C10 C20 C25 -102.2(4) . . . . ?
C25 C20 C21 C22 4.0(5) . . . . ?
C10 C20 C21 C22 -176.7(3) . . . . ?
C25 C20 C21 C26 -176.8(3) . . . . ?
C10 C20 C21 C26 2.4(5) . . . . ?
C20 C21 C22 C23 -0.9(5) . . . . ?
C26 C21 C22 C23 180.0(3) . . . . ?
C21 C22 C23 C24 -2.3(5) . . . . ?
C21 C22 C23 C27 178.0(3) . . . . ?
C22 C23 C24 C25 2.4(5) . . . . ?
C27 C23 C24 C25 -177.9(3) . . . . ?
C23 C24 C25 C20 0.7(5) . . . . ?
C23 C24 C25 C28 -178.2(3) . . . . ?
C21 C20 C25 C24 -3.9(4) . . . . ?
C10 C20 C25 C24 176.8(3) . . . . ?
C21 C20 C25 C28 174.9(3) . . . . ?
C10 C20 C25 C28 -4.3(4) . . . . ?
C34 C29 C30 C31 -1.3(5) . . . . ?
Sn2 C29 C30 C31 -169.7(2) . . . . ?
C34 C29 C30 C35 178.3(3) . . . . ?
Sn2 C29 C30 C35 9.8(4) . . . . ?
C29 C30 C31 C32 1.7(5) . . . . ?
C35 C30 C31 C32 -177.9(3) . . . . ?
C30 C31 C32 C33 -1.1(6) . . . . ?
C31 C32 C33 C34 0.2(6) . . . . ?
C32 C33 C34 C29 0.2(5) . . . . ?
C32 C33 C34 C44 -179.9(3) . . . . ?
C30 C29 C34 C33 0.4(5) . . . . ?
Sn2 C29 C34 C33 170.0(3) . . . . ?
C30 C29 C34 C44 -179.5(3) . . . . ?
Sn2 C29 C34 C44 -9.9(4) . . . . ?
C31 C30 C35 C40 98.8(4) . . . . ?
C29 C30 C35 C40 -80.8(4) . . . . ?
C31 C30 C35 C36 -79.4(4) . . . . ?
C29 C30 C35 C36 101.0(4) . . . . ?
C40 C35 C36 C37 1.2(5) . . . . ?
C30 C35 C36 C37 179.5(3) . . . . ?
C40 C35 C36 C41 179.3(3) . . . . ?
C30 C35 C36 C41 -2.5(5) . . . . ?
C35 C36 C37 C38 -0.4(5) . . . . ?
C41 C36 C37 C38 -178.5(3) . . . . ?
C36 C37 C38 C39 -0.8(6) . . . . ?
C36 C37 C38 C42 177.7(4) . . . . ?
C37 C38 C39 C40 1.1(6) . . . . ?
C42 C38 C39 C40 -177.4(4) . . . . ?
C38 C39 C40 C35 -0.3(6) . . . . ?
C38 C39 C40 C43 -179.5(4) . . . . ?
C36 C35 C40 C39 -0.9(5) . . . . ?
C30 C35 C40 C39 -179.1(3) . . . . ?
C36 C35 C40 C43 178.3(4) . . . . ?
C30 C35 C40 C43 0.1(5) . . . . ?
C33 C34 C44 C49 73.9(4) . . . . ?
C29 C34 C44 C49 -106.2(4) . . . . ?
C33 C34 C44 C45 -102.9(4) . . . . ?
C29 C34 C44 C45 77.0(4) . . . . ?
C49 C44 C45 C46 4.2(5) . . . . ?
C34 C44 C45 C46 -179.0(3) . . . . ?
C49 C44 C45 C50 -172.5(3) . . . . ?
C34 C44 C45 C50 4.4(5) . . . . ?
C44 C45 C46 C47 -0.9(5) . . . . ?
C50 C45 C46 C47 175.8(3) . . . . ?
C45 C46 C47 C48 -2.0(5) . . . . ?
C45 C46 C47 C51 178.3(3) . . . . ?
C46 C47 C48 C49 1.6(5) . . . . ?
C51 C47 C48 C49 -178.7(3) . . . . ?
C47 C48 C49 C44 1.7(5) . . . . ?
C47 C48 C49 C52 -176.1(3) . . . . ?
C45 C44 C49 C48 -4.6(5) . . . . ?
C34 C44 C49 C48 178.6(3) . . . . ?
C45 C44 C49 C52 173.1(3) . . . . ?
C34 C44 C49 C52 -3.8(5) . . . . ?
C55 C53 C55 C56 0.0(3) 2_655 . . . ?
C58 C53 C55 C56 -180.0(3) . . . . ?
C53 C55 C56 C57 0.0(5) . . . . ?
C55 C56 C57 C56 0.0(3) . . . 2_655 ?
C60 C59 C60 C61 -0.2(3) 2_756 . . . ?
C63 C59 C60 C61 179.8(3) . . . . ?
C59 C60 C61 C62 0.4(5) . . . . ?
C60 C61 C62 C61 -0.2(3) . . . 2_756 ?

_refine_diff_density_max         6.096
_refine_diff_density_min         -2.388
_refine_diff_density_rms         0.118
# start Validation Reply Form
_vrf_PLAT971_je93x               
;
PROBLEM: Check Calcd Residual Density 0.80A From Sn2 6.33 eA-3
RESPONSE: The residual density is probably due to Fourier
summation truncation.
;
# end Validation Reply Form

_chemical_properties_physical    ', Air-sensitive,Moisture-sensitive'
