# Electronic Supplementary Material (ESI) for RSC Advances
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_xx4
#TrackingRef 'xx4.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C53 H61 N2 O10 Sn2'
_chemical_formula_weight         1123.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   14.530(2)
_cell_length_b                   9.0116(13)
_cell_length_c                   19.199(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.039(2)
_cell_angle_gamma                90.00
_cell_volume                     2500.0(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      1.68
_cell_measurement_theta_max      25.05

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1146
_exptl_absorpt_coefficient_mu    1.059
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_T_max  0.792
_exptl_absorpt_process_details   Higashi

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean none
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            14449
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.68
_diffrn_reflns_theta_max         25.05
_reflns_number_total             4402
_reflns_number_gt                3411
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0388P)^2^+1.4943P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_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         4402
_refine_ls_number_parameters     307
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0292
_refine_ls_wR_factor_ref         0.0775
_refine_ls_wR_factor_gt          0.0711
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.337654(13) 0.49750(2) 0.476199(10) 0.02635(9) Uani 1 1 d . . .
O1 O 0.46866(14) 0.4535(2) 0.56936(11) 0.0332(5) Uani 1 1 d . . .
O2 O 0.24080(14) 0.5733(3) 0.36616(11) 0.0352(5) Uani 1 1 d . . .
O3 O 0.32099(13) 0.4387(2) 0.58277(10) 0.0292(5) Uani 1 1 d . . .
O4 O 0.19124(14) 0.4874(2) 0.46300(11) 0.0327(5) Uani 1 1 d . . .
O5 O 0.25452(14) 0.6179(2) 0.70143(11) 0.0352(5) Uani 1 1 d . . .
N1 N 0.20091(16) 0.3808(3) 0.70865(13) 0.0282(6) Uani 1 1 d . . .
H1A H 0.2161 0.2933 0.7235 0.034 Uiso 1 1 calc R . .
C1 C 0.4065(2) 0.4371(3) 0.60869(16) 0.0272(7) Uani 1 1 d . . .
C2 C 0.1755(2) 0.5391(3) 0.39980(17) 0.0294(7) Uani 1 1 d . . .
C3 C 0.4298(2) 0.4138(3) 0.68529(16) 0.0267(7) Uani 1 1 d . . .
C4 C 0.36469(19) 0.4289(3) 0.73370(15) 0.0257(7) Uani 1 1 d . . .
C5 C 0.3913(2) 0.4035(4) 0.80427(17) 0.0360(8) Uani 1 1 d . . .
H5A H 0.3482 0.4132 0.8365 0.043 Uiso 1 1 calc R . .
C6 C 0.4813(2) 0.3641(4) 0.82691(18) 0.0397(8) Uani 1 1 d . . .
H6A H 0.4986 0.3485 0.8744 0.048 Uiso 1 1 calc R . .
C7 C 0.5456(2) 0.3476(4) 0.77969(18) 0.0438(9) Uani 1 1 d . . .
H7A H 0.6058 0.3189 0.7950 0.053 Uiso 1 1 calc R . .
C8 C 0.5201(2) 0.3739(4) 0.70937(17) 0.0360(8) Uani 1 1 d . . .
H8A H 0.5640 0.3647 0.6777 0.043 Uiso 1 1 calc R . .
C9 C 0.2682(2) 0.4852(3) 0.71202(15) 0.0263(7) Uani 1 1 d . . .
C10 C 0.10738(19) 0.4049(3) 0.68245(15) 0.0259(7) Uani 1 1 d . . .
C11 C 0.0381(2) 0.3247(3) 0.71008(16) 0.0312(7) Uani 1 1 d . . .
H11A H 0.0535 0.2569 0.7460 0.037 Uiso 1 1 calc R . .
C12 C 0.0535(2) 0.6549(4) 0.31546(16) 0.0319(7) Uani 1 1 d . . .
H12A H 0.0997 0.7065 0.2957 0.038 Uiso 1 1 calc R . .
C13 C 0.0767(2) 0.5573(4) 0.37072(16) 0.0285(7) Uani 1 1 d . . .
C14 C 0.0073(2) 0.4822(3) 0.40074(18) 0.0304(7) Uani 1 1 d . . .
H14A H 0.0222 0.4212 0.4393 0.036 Uiso 1 1 calc R . .
C15 C 0.0842(2) 0.5018(3) 0.62672(17) 0.0314(7) Uani 1 1 d . . .
H15A H 0.1303 0.5557 0.6080 0.038 Uiso 1 1 calc R . .
C21 C 0.3641(2) 0.7274(3) 0.48716(16) 0.0321(7) Uani 1 1 d . . .
H21A H 0.4256 0.7466 0.4740 0.038 Uiso 1 1 calc R . .
H21B H 0.3206 0.7796 0.4540 0.038 Uiso 1 1 calc R . .
C22 C 0.3579(2) 0.7937(3) 0.55931(17) 0.0357(8) Uani 1 1 d . . .
H22A H 0.4012 0.7430 0.5932 0.043 Uiso 1 1 calc R . .
H22B H 0.2961 0.7782 0.5727 0.043 Uiso 1 1 calc R . .
C23 C 0.3795(3) 0.9591(4) 0.5610(2) 0.0445(9) Uani 1 1 d . . .
H23A H 0.4416 0.9736 0.5480 0.053 Uiso 1 1 calc R . .
H23B H 0.3370 1.0087 0.5262 0.053 Uiso 1 1 calc R . .
C24 C 0.3729(4) 1.0314(4) 0.6310(2) 0.0637(13) Uani 1 1 d . . .
H24A H 0.3876 1.1349 0.6282 0.096 Uiso 1 1 calc R . .
H24B H 0.4157 0.9847 0.6658 0.096 Uiso 1 1 calc R . .
H24C H 0.3111 1.0206 0.6438 0.096 Uiso 1 1 calc R . .
C31 C 0.3774(2) 0.2986(4) 0.42885(18) 0.0358(8) Uani 1 1 d . . .
H31A H 0.4272 0.3227 0.4009 0.043 Uiso 1 1 calc R . .
H31B H 0.4031 0.2330 0.4660 0.043 Uiso 1 1 calc R . .
C32 C 0.3058(2) 0.2114(4) 0.38285(17) 0.0362(8) Uani 1 1 d . . .
H32A H 0.2824 0.2719 0.3431 0.043 Uiso 1 1 calc R . .
H32B H 0.2543 0.1879 0.4092 0.043 Uiso 1 1 calc R . .
C33 C 0.3457(2) 0.0682(4) 0.35662(18) 0.0398(8) Uani 1 1 d . . .
H33A H 0.3949 0.0931 0.3282 0.048 Uiso 1 1 calc R . .
H33B H 0.3731 0.0120 0.3967 0.048 Uiso 1 1 calc R . .
C34 C 0.2764(3) -0.0296(4) 0.3140(2) 0.0572(11) Uani 1 1 d . . .
H34A H 0.3070 -0.1170 0.2994 0.086 Uiso 1 1 calc R . .
H34B H 0.2499 0.0238 0.2735 0.086 Uiso 1 1 calc R . .
H34C H 0.2283 -0.0578 0.3421 0.086 Uiso 1 1 calc R . .
C41 C 0.5762(6) 0.4296(7) 1.0179(3) 0.123(3) Uani 1 1 d D . .
C42 C 0.4985(8) 0.3614(8) 1.0292(3) 0.146(5) Uani 1 1 d . . .
H42A H 0.4989 0.2677 1.0496 0.175 Uiso 1 1 calc R . .
C43 C 0.4177(8) 0.4349(9) 1.0095(3) 0.150(5) Uani 1 1 d . . .
H43A H 0.3606 0.3923 1.0150 0.180 Uiso 1 1 calc R . .
C44 C 0.6546(6) 0.3460(12) 1.0402(5) 0.080(3) Uani 0.50 1 d PD . .
H44A H 0.6361 0.2510 1.0564 0.119 Uiso 0.50 1 calc PR . .
H44B H 0.6906 0.3970 1.0776 0.119 Uiso 0.50 1 calc PR . .
H44C H 0.6912 0.3326 1.0018 0.119 Uiso 0.50 1 calc PR . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sn1 0.02399(13) 0.03026(13) 0.02378(13) 0.00097(9) -0.00231(9) 0.00021(9)
O1 0.0269(12) 0.0430(13) 0.0297(12) 0.0029(10) 0.0028(10) -0.0001(10)
O2 0.0271(12) 0.0471(14) 0.0310(13) 0.0004(11) 0.0008(10) -0.0010(10)
O3 0.0245(11) 0.0382(12) 0.0241(12) 0.0031(10) -0.0021(9) 0.0000(9)
O4 0.0245(11) 0.0438(13) 0.0286(12) 0.0036(10) -0.0028(9) 0.0009(9)
O5 0.0360(13) 0.0271(13) 0.0405(14) -0.0016(10) -0.0056(10) 0.0012(10)
N1 0.0245(13) 0.0270(13) 0.0316(15) 0.0031(11) -0.0036(11) 0.0018(11)
C1 0.0276(17) 0.0230(15) 0.0301(18) -0.0001(13) -0.0014(14) 0.0012(13)
C2 0.0298(17) 0.0318(17) 0.0254(18) -0.0026(13) -0.0030(14) 0.0037(13)
C3 0.0275(16) 0.0250(16) 0.0265(17) 0.0017(13) -0.0019(13) -0.0040(13)
C4 0.0248(16) 0.0243(16) 0.0266(17) -0.0013(13) -0.0029(13) -0.0034(13)
C5 0.0364(18) 0.043(2) 0.0274(18) -0.0012(15) -0.0006(14) -0.0022(15)
C6 0.0392(19) 0.048(2) 0.0292(19) 0.0035(16) -0.0094(15) -0.0021(16)
C7 0.0265(17) 0.060(2) 0.042(2) 0.0111(18) -0.0099(16) 0.0036(16)
C8 0.0245(16) 0.046(2) 0.036(2) 0.0032(16) -0.0021(14) 0.0012(15)
C9 0.0256(15) 0.0325(19) 0.0202(15) -0.0030(13) -0.0004(12) 0.0012(13)
C10 0.0228(15) 0.0264(16) 0.0275(17) -0.0024(13) -0.0023(13) 0.0021(12)
C11 0.0338(17) 0.0346(18) 0.0242(17) 0.0058(14) -0.0021(13) 0.0003(14)
C12 0.0257(16) 0.0403(19) 0.0298(18) 0.0002(14) 0.0044(13) -0.0032(14)
C13 0.0286(16) 0.0299(16) 0.0257(17) -0.0050(14) -0.0029(13) 0.0029(13)
C14 0.0274(16) 0.0276(17) 0.0349(18) 0.0090(14) -0.0032(14) 0.0013(13)
C15 0.0257(16) 0.0368(18) 0.0308(18) 0.0037(15) -0.0002(13) -0.0039(14)
C21 0.0305(16) 0.0316(18) 0.0333(19) 0.0020(14) -0.0001(14) 0.0008(14)
C22 0.0426(19) 0.0334(18) 0.0312(19) 0.0007(15) 0.0049(15) -0.0020(15)
C23 0.059(2) 0.0326(19) 0.042(2) 0.0032(16) 0.0051(18) -0.0038(17)
C24 0.106(4) 0.037(2) 0.050(3) -0.0042(18) 0.013(3) -0.006(2)
C31 0.0331(17) 0.0337(18) 0.040(2) -0.0037(15) -0.0011(15) 0.0038(14)
C32 0.0355(18) 0.0392(19) 0.0329(19) -0.0036(15) -0.0018(15) 0.0009(15)
C33 0.047(2) 0.0390(19) 0.032(2) -0.0004(16) 0.0015(16) 0.0006(17)
C34 0.071(3) 0.048(2) 0.049(3) -0.0126(18) -0.011(2) 0.006(2)
C41 0.252(10) 0.084(4) 0.033(3) -0.010(3) 0.017(4) -0.070(6)
C42 0.343(14) 0.066(4) 0.029(3) 0.000(3) 0.018(5) -0.089(7)
C43 0.302(14) 0.112(6) 0.038(4) -0.013(4) 0.024(6) -0.125(8)
C44 0.077(7) 0.094(8) 0.071(7) -0.011(6) 0.021(6) -0.010(6)

_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 C21 2.114(3) . ?
Sn1 C31 2.118(3) . ?
Sn1 O4 2.118(2) . ?
Sn1 O3 2.152(2) . ?
Sn1 O1 2.503(2) . ?
Sn1 O2 2.507(2) . ?
Sn1 C2 2.668(3) . ?
O1 C1 1.245(4) . ?
O2 C2 1.242(4) . ?
O3 C1 1.289(3) . ?
O4 C2 1.297(4) . ?
O5 C9 1.225(3) . ?
N1 C9 1.354(4) . ?
N1 C10 1.415(3) . ?
N1 H1A 0.8600 . ?
C1 C3 1.489(4) . ?
C2 C13 1.494(4) . ?
C3 C8 1.392(4) . ?
C3 C4 1.401(4) . ?
C4 C5 1.388(4) . ?
C4 C9 1.508(4) . ?
C5 C6 1.381(4) . ?
C5 H5A 0.9300 . ?
C6 C7 1.376(5) . ?
C6 H6A 0.9300 . ?
C7 C8 1.382(4) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9300 . ?
C10 C11 1.389(4) . ?
C10 C15 1.394(4) . ?
C11 C12 1.382(4) 3_566 ?
C11 H11A 0.9300 . ?
C12 C11 1.382(4) 3_566 ?
C12 C13 1.392(4) . ?
C12 H12A 0.9300 . ?
C13 C14 1.389(4) . ?
C14 C15 1.385(4) 3_566 ?
C14 H14A 0.9300 . ?
C15 C14 1.385(4) 3_566 ?
C15 H15A 0.9300 . ?
C21 C22 1.520(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.523(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.506(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C31 C32 1.512(4) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.522(5) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.512(5) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C41 C42 1.324(10) . ?
C41 C43 1.336(9) 3_667 ?
C41 C44 1.395(5) . ?
C42 C43 1.367(12) . ?
C42 H42A 0.9300 . ?
C43 C41 1.336(9) 3_667 ?
C43 H43A 0.9300 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?

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
C21 Sn1 C31 144.86(13) . . ?
C21 Sn1 O4 102.92(10) . . ?
C31 Sn1 O4 103.20(10) . . ?
C21 Sn1 O3 100.60(10) . . ?
C31 Sn1 O3 105.24(11) . . ?
O4 Sn1 O3 83.75(8) . . ?
C21 Sn1 O1 88.14(10) . . ?
C31 Sn1 O1 87.22(10) . . ?
O4 Sn1 O1 139.26(8) . . ?
O3 Sn1 O1 55.57(7) . . ?
C21 Sn1 O2 84.08(10) . . ?
C31 Sn1 O2 91.33(10) . . ?
O4 Sn1 O2 56.15(8) . . ?
O3 Sn1 O2 139.38(7) . . ?
O1 Sn1 O2 164.32(7) . . ?
C21 Sn1 C2 93.30(11) . . ?
C31 Sn1 C2 98.51(11) . . ?
O4 Sn1 C2 28.62(9) . . ?
O3 Sn1 C2 112.09(9) . . ?
O1 Sn1 C2 167.58(9) . . ?
O2 Sn1 C2 27.54(8) . . ?
C1 O1 Sn1 84.64(17) . . ?
C2 O2 Sn1 83.47(18) . . ?
C1 O3 Sn1 99.76(18) . . ?
C2 O4 Sn1 99.96(19) . . ?
C9 N1 C10 124.9(3) . . ?
C9 N1 H1A 117.5 . . ?
C10 N1 H1A 117.5 . . ?
O1 C1 O3 119.7(3) . . ?
O1 C1 C3 120.7(3) . . ?
O3 C1 C3 119.5(3) . . ?
O2 C2 O4 120.4(3) . . ?
O2 C2 C13 122.4(3) . . ?
O4 C2 C13 117.2(3) . . ?
O2 C2 Sn1 68.99(17) . . ?
O4 C2 Sn1 51.43(14) . . ?
C13 C2 Sn1 168.4(2) . . ?
C8 C3 C4 118.9(3) . . ?
C8 C3 C1 118.2(3) . . ?
C4 C3 C1 122.8(3) . . ?
C5 C4 C3 119.6(3) . . ?
C5 C4 C9 118.7(3) . . ?
C3 C4 C9 121.5(3) . . ?
C6 C5 C4 120.5(3) . . ?
C6 C5 H5A 119.8 . . ?
C4 C5 H5A 119.8 . . ?
C7 C6 C5 120.4(3) . . ?
C7 C6 H6A 119.8 . . ?
C5 C6 H6A 119.8 . . ?
C6 C7 C8 119.7(3) . . ?
C6 C7 H7A 120.2 . . ?
C8 C7 H7A 120.2 . . ?
C7 C8 C3 121.0(3) . . ?
C7 C8 H8A 119.5 . . ?
C3 C8 H8A 119.5 . . ?
O5 C9 N1 124.5(3) . . ?
O5 C9 C4 120.3(3) . . ?
N1 C9 C4 115.2(2) . . ?
C11 C10 C15 119.5(3) . . ?
C11 C10 N1 119.4(3) . . ?
C15 C10 N1 120.9(3) . . ?
C12 C11 C10 120.3(3) 3_566 . ?
C12 C11 H11A 119.8 3_566 . ?
C10 C11 H11A 119.8 . . ?
C11 C12 C13 120.1(3) 3_566 . ?
C11 C12 H12A 120.0 3_566 . ?
C13 C12 H12A 120.0 . . ?
C14 C13 C12 119.7(3) . . ?
C14 C13 C2 120.2(3) . . ?
C12 C13 C2 120.0(3) . . ?
C15 C14 C13 120.1(3) 3_566 . ?
C15 C14 H14A 120.0 3_566 . ?
C13 C14 H14A 120.0 . . ?
C14 C15 C10 120.1(3) 3_566 . ?
C14 C15 H15A 119.9 3_566 . ?
C10 C15 H15A 119.9 . . ?
C22 C21 Sn1 116.7(2) . . ?
C22 C21 H21A 108.1 . . ?
Sn1 C21 H21A 108.1 . . ?
C22 C21 H21B 108.1 . . ?
Sn1 C21 H21B 108.1 . . ?
H21A C21 H21B 107.3 . . ?
C21 C22 C23 111.9(3) . . ?
C21 C22 H22A 109.2 . . ?
C23 C22 H22A 109.2 . . ?
C21 C22 H22B 109.2 . . ?
C23 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C24 C23 C22 114.2(3) . . ?
C24 C23 H23A 108.7 . . ?
C22 C23 H23A 108.7 . . ?
C24 C23 H23B 108.7 . . ?
C22 C23 H23B 108.7 . . ?
H23A C23 H23B 107.6 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C32 C31 Sn1 119.2(2) . . ?
C32 C31 H31A 107.5 . . ?
Sn1 C31 H31A 107.5 . . ?
C32 C31 H31B 107.5 . . ?
Sn1 C31 H31B 107.5 . . ?
H31A C31 H31B 107.0 . . ?
C31 C32 C33 111.7(3) . . ?
C31 C32 H32A 109.3 . . ?
C33 C32 H32A 109.3 . . ?
C31 C32 H32B 109.3 . . ?
C33 C32 H32B 109.3 . . ?
H32A C32 H32B 107.9 . . ?
C34 C33 C32 114.7(3) . . ?
C34 C33 H33A 108.6 . . ?
C32 C33 H33A 108.6 . . ?
C34 C33 H33B 108.6 . . ?
C32 C33 H33B 108.6 . . ?
H33A C33 H33B 107.6 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C42 C41 C43 125.7(8) . 3_667 ?
C42 C41 C44 112.5(8) . . ?
C43 C41 C44 121.9(10) 3_667 . ?
C41 C42 C43 116.9(7) . . ?
C41 C42 H42A 121.6 . . ?
C43 C42 H42A 121.6 . . ?
C41 C43 C42 117.5(9) 3_667 . ?
C41 C43 H43A 121.3 3_667 . ?
C42 C43 H43A 121.3 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 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
C21 Sn1 O1 C1 100.95(19) . . . . ?
C31 Sn1 O1 C1 -113.9(2) . . . . ?
O4 Sn1 O1 C1 -6.8(2) . . . . ?
O3 Sn1 O1 C1 -3.26(17) . . . . ?
O2 Sn1 O1 C1 161.1(2) . . . . ?
C2 Sn1 O1 C1 4.0(5) . . . . ?
C21 Sn1 O2 C2 -108.9(2) . . . . ?
C31 Sn1 O2 C2 106.0(2) . . . . ?
O4 Sn1 O2 C2 0.98(18) . . . . ?
O3 Sn1 O2 C2 -9.5(2) . . . . ?
O1 Sn1 O2 C2 -169.6(2) . . . . ?
C21 Sn1 O3 C1 -77.1(2) . . . . ?
C31 Sn1 O3 C1 78.8(2) . . . . ?
O4 Sn1 O3 C1 -179.16(19) . . . . ?
O1 Sn1 O3 C1 3.18(17) . . . . ?
O2 Sn1 O3 C1 -170.40(16) . . . . ?
C2 Sn1 O3 C1 -175.14(18) . . . . ?
C21 Sn1 O4 C2 72.7(2) . . . . ?
C31 Sn1 O4 C2 -83.6(2) . . . . ?
O3 Sn1 O4 C2 172.21(19) . . . . ?
O1 Sn1 O4 C2 175.16(16) . . . . ?
O2 Sn1 O4 C2 -0.94(17) . . . . ?
Sn1 O1 C1 O3 5.2(3) . . . . ?
Sn1 O1 C1 C3 -175.5(3) . . . . ?
Sn1 O3 C1 O1 -6.1(3) . . . . ?
Sn1 O3 C1 C3 174.6(2) . . . . ?
Sn1 O2 C2 O4 -1.5(3) . . . . ?
Sn1 O2 C2 C13 177.5(3) . . . . ?
Sn1 O4 C2 O2 1.8(3) . . . . ?
Sn1 O4 C2 C13 -177.2(2) . . . . ?
C21 Sn1 C2 O2 70.48(19) . . . . ?
C31 Sn1 C2 O2 -76.3(2) . . . . ?
O4 Sn1 C2 O2 -178.3(3) . . . . ?
O3 Sn1 C2 O2 173.33(17) . . . . ?
O1 Sn1 C2 O2 166.8(3) . . . . ?
C21 Sn1 C2 O4 -111.21(19) . . . . ?
C31 Sn1 C2 O4 102.0(2) . . . . ?
O3 Sn1 C2 O4 -8.4(2) . . . . ?
O1 Sn1 C2 O4 -14.8(5) . . . . ?
O2 Sn1 C2 O4 178.3(3) . . . . ?
C21 Sn1 C2 C13 -98.8(11) . . . . ?
C31 Sn1 C2 C13 114.4(11) . . . . ?
O4 Sn1 C2 C13 12.5(10) . . . . ?
O3 Sn1 C2 C13 4.1(11) . . . . ?
O1 Sn1 C2 C13 -2.4(14) . . . . ?
O2 Sn1 C2 C13 -169.2(12) . . . . ?
O1 C1 C3 C8 -15.9(4) . . . . ?
O3 C1 C3 C8 163.4(3) . . . . ?
O1 C1 C3 C4 164.8(3) . . . . ?
O3 C1 C3 C4 -15.8(4) . . . . ?
C8 C3 C4 C5 -0.1(4) . . . . ?
C1 C3 C4 C5 179.2(3) . . . . ?
C8 C3 C4 C9 174.4(3) . . . . ?
C1 C3 C4 C9 -6.4(4) . . . . ?
C3 C4 C5 C6 0.2(5) . . . . ?
C9 C4 C5 C6 -174.5(3) . . . . ?
C4 C5 C6 C7 -0.8(5) . . . . ?
C5 C6 C7 C8 1.4(5) . . . . ?
C6 C7 C8 C3 -1.4(5) . . . . ?
C4 C3 C8 C7 0.7(5) . . . . ?
C1 C3 C8 C7 -178.6(3) . . . . ?
C10 N1 C9 O5 10.0(5) . . . . ?
C10 N1 C9 C4 -172.9(3) . . . . ?
C5 C4 C9 O5 97.9(4) . . . . ?
C3 C4 C9 O5 -76.6(4) . . . . ?
C5 C4 C9 N1 -79.4(4) . . . . ?
C3 C4 C9 N1 106.1(3) . . . . ?
C9 N1 C10 C11 -148.8(3) . . . . ?
C9 N1 C10 C15 34.8(4) . . . . ?
C15 C10 C11 C12 -2.7(5) . . . 3_566 ?
N1 C10 C11 C12 -179.1(3) . . . 3_566 ?
C11 C12 C13 C14 -1.0(5) 3_566 . . . ?
C11 C12 C13 C2 -178.0(3) 3_566 . . . ?
O2 C2 C13 C14 162.3(3) . . . . ?
O4 C2 C13 C14 -18.7(4) . . . . ?
Sn1 C2 C13 C14 -29.6(13) . . . . ?
O2 C2 C13 C12 -20.7(5) . . . . ?
O4 C2 C13 C12 158.3(3) . . . . ?
Sn1 C2 C13 C12 147.4(10) . . . . ?
C12 C13 C14 C15 3.6(5) . . . 3_566 ?
C2 C13 C14 C15 -179.4(3) . . . 3_566 ?
C11 C10 C15 C14 0.1(5) . . . 3_566 ?
N1 C10 C15 C14 176.4(3) . . . 3_566 ?
C31 Sn1 C21 C22 -141.4(2) . . . . ?
O4 Sn1 C21 C22 81.5(2) . . . . ?
O3 Sn1 C21 C22 -4.5(2) . . . . ?
O1 Sn1 C21 C22 -58.9(2) . . . . ?
O2 Sn1 C21 C22 134.7(2) . . . . ?
C2 Sn1 C21 C22 108.8(2) . . . . ?
Sn1 C21 C22 C23 179.2(2) . . . . ?
C21 C22 C23 C24 179.0(3) . . . . ?
C21 Sn1 C31 C32 -123.1(3) . . . . ?
O4 Sn1 C31 C32 13.9(3) . . . . ?
O3 Sn1 C31 C32 100.9(3) . . . . ?
O1 Sn1 C31 C32 154.1(3) . . . . ?
O2 Sn1 C31 C32 -41.6(3) . . . . ?
C2 Sn1 C31 C32 -14.8(3) . . . . ?
Sn1 C31 C32 C33 -177.0(2) . . . . ?
C31 C32 C33 C34 176.3(3) . . . . ?
C43 C41 C42 C43 1.7(12) 3_667 . . . ?
C44 C41 C42 C43 179.6(8) . . . . ?
C41 C42 C43 C41 -1.5(11) . . . 3_667 ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.680
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.068


_database_code_depnum_ccdc_archive 'CCDC 827597'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_xx2
#TrackingRef 'xx2.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H77 N3 O19 Sn3'
_chemical_formula_weight         1644.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_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                   12.5992(12)
_cell_length_b                   30.212(3)
_cell_length_c                   19.9730(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.320(2)
_cell_angle_gamma                90.00
_cell_volume                     7596.5(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      1.35
_cell_measurement_theta_max      25.04

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3328
_exptl_absorpt_coefficient_mu    1.047
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_T_max  0.794
_exptl_absorpt_process_details   Higashi

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean none
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            22385
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_av_sigmaI/netI    0.0833
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.35
_diffrn_reflns_theta_max         25.04
_reflns_number_total             6703
_reflns_number_gt                4309
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0985P)^2^+21.4146P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_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         6703
_refine_ls_number_parameters     444
_refine_ls_number_restraints     62
_refine_ls_R_factor_all          0.1112
_refine_ls_R_factor_gt           0.0647
_refine_ls_wR_factor_ref         0.1892
_refine_ls_wR_factor_gt          0.1624
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.52456(5) 0.069936(16) -0.02414(2) 0.0350(2) Uani 1 1 d . . .
Sn2 Sn 0.5000 0.33301(3) -0.2500 0.0477(3) Uani 1 2 d S . .
O1 O 0.5701(5) 0.13304(18) 0.0432(3) 0.0476(17) Uani 1 1 d . . .
O2 O 0.5410(6) 0.13581(17) -0.0662(3) 0.0482(17) Uani 1 1 d . . .
O3 O 0.5214(5) 0.28078(18) -0.1809(3) 0.0471(16) Uani 1 1 d . . .
O4 O 0.5597(6) 0.34205(19) -0.1263(3) 0.062(2) Uani 1 1 d . . .
O5 O 0.5021(5) 0.05034(17) -0.1283(2) 0.0412(15) Uani 1 1 d . . .
O6 O 0.4813(5) -0.01130(18) -0.0717(2) 0.0443(16) Uani 1 1 d . . .
O7 O 0.6669(13) 0.3639(3) 0.0789(4) 0.185(7) Uani 1 1 d . . .
O8 O 0.7248(6) 0.2284(2) 0.1744(4) 0.071(2) Uani 1 1 d . . .
O9 O 0.6033(5) -0.1459(2) -0.1530(3) 0.0510(17) Uani 1 1 d . . .
N1 N 0.6840(6) 0.2904(2) 0.1088(3) 0.046(2) Uani 1 1 d . . .
N2 N 0.5000 -0.1333(3) -0.2500 0.037(2) Uani 1 2 d S . .
C1 C 0.5625(8) 0.1549(3) -0.0102(4) 0.042(2) Uani 1 1 d . . .
C2 C 0.5518(8) 0.3016(3) -0.1261(4) 0.047(2) Uani 1 1 d . . .
C3 C 0.4908(7) 0.0078(3) -0.1260(3) 0.037(2) Uani 1 1 d . . .
C4 C 0.5806(8) 0.2042(3) -0.0094(4) 0.042(2) Uani 1 1 d . . .
C5 C 0.5591(7) 0.2284(3) -0.0677(4) 0.041(2) Uani 1 1 d . . .
H5A H 0.5351 0.2146 -0.1071 0.049 Uiso 1 1 calc R . .
C6 C 0.5748(8) 0.2739(3) -0.0654(4) 0.041(2) Uani 1 1 d . . .
C7 C 0.6162(7) 0.2944(3) -0.0080(4) 0.044(2) Uani 1 1 d . . .
H7A H 0.6297 0.3246 -0.0082 0.053 Uiso 1 1 calc R . .
C8 C 0.6376(8) 0.2698(3) 0.0498(4) 0.043(2) Uani 1 1 d . . .
C9 C 0.6173(8) 0.2243(3) 0.0490(4) 0.044(2) Uani 1 1 d . . .
H9A H 0.6286 0.2076 0.0877 0.053 Uiso 1 1 calc R . .
C10 C 0.7021(14) 0.3357(4) 0.1170(5) 0.103(6) Uani 1 1 d . . .
C11 C 0.7287(8) 0.2676(3) 0.1656(5) 0.052(3) Uani 1 1 d . . .
C12 C 0.7636(12) 0.3413(4) 0.1810(5) 0.089(5) Uani 1 1 d . . .
C13 C 0.7791(8) 0.3025(4) 0.2086(5) 0.055(3) Uani 1 1 d . . .
C14 C 0.8351(10) 0.2980(4) 0.2681(7) 0.090(4) Uani 1 1 d . . .
H14A H 0.8464 0.2704 0.2876 0.108 Uiso 1 1 calc R . .
C15 C 0.8750(10) 0.3369(5) 0.2988(7) 0.093(5) Uani 1 1 d . . .
H15A H 0.9136 0.3349 0.3394 0.111 Uiso 1 1 calc R . .
C16 C 0.8583(15) 0.3771(6) 0.2702(7) 0.126(8) Uani 1 1 d . . .
H16A H 0.8835 0.4025 0.2918 0.151 Uiso 1 1 calc R . .
C17 C 0.8059(15) 0.3803(5) 0.2113(7) 0.125(6) Uani 1 1 d U . .
H17A H 0.7972 0.4076 0.1903 0.150 Uiso 1 1 calc R . .
C18 C 0.5302(9) -0.2847(3) -0.2201(5) 0.072(4) Uani 1 1 d . . .
H18A H 0.5502 -0.3116 -0.2006 0.087 Uiso 1 1 calc R . .
C19 C 0.5615(9) -0.2456(3) -0.1890(5) 0.059(3) Uani 1 1 d . . .
H19A H 0.6016 -0.2456 -0.1488 0.070 Uiso 1 1 calc R . .
C20 C 0.5305(7) -0.2065(3) -0.2201(4) 0.044(2) Uani 1 1 d . . .
C21 C 0.5529(8) -0.1600(3) -0.2002(4) 0.041(2) Uani 1 1 d . . .
C22 C 0.5000 -0.0868(3) -0.2500 0.033(3) Uani 1 2 d S . .
C23 C 0.4903(7) -0.0635(2) -0.1897(4) 0.0327(19) Uani 1 1 d . . .
H23A H 0.4818 -0.0788 -0.1499 0.039 Uiso 1 1 calc R . .
C24 C 0.4933(7) -0.0172(2) -0.1899(3) 0.0321(19) Uani 1 1 d . . .
C25 C 0.5000 0.0055(4) -0.2500 0.037(3) Uani 1 2 d S . .
H25A H 0.5000 0.0363 -0.2500 0.044 Uiso 1 2 calc SR . .
C31 C 0.3643(8) 0.0750(3) 0.0013(5) 0.052(3) Uani 1 1 d . . .
H31A H 0.3258 0.0495 -0.0165 0.062 Uiso 1 1 calc R . .
H31B H 0.3606 0.0744 0.0497 0.062 Uiso 1 1 calc R . .
C32 C 0.3140(13) 0.1141(6) -0.0235(9) 0.144(7) Uani 1 1 d U . .
H32A H 0.3202 0.1151 -0.0717 0.173 Uiso 1 1 calc R . .
H32B H 0.3519 0.1395 -0.0048 0.173 Uiso 1 1 calc R . .
C33 C 0.1932(17) 0.1187(8) -0.0075(12) 0.191(9) Uani 1 1 d DU . .
H33A H 0.1786 0.1061 0.0358 0.229 Uiso 1 1 calc R . .
H33B H 0.1477 0.1048 -0.0417 0.229 Uiso 1 1 calc R . .
C34 C 0.177(3) 0.1787(11) -0.008(2) 0.39(2) Uani 1 1 d DU . .
H34A H 0.1057 0.1861 0.0030 0.580 Uiso 1 1 calc R . .
H34B H 0.1917 0.1901 -0.0512 0.580 Uiso 1 1 calc R . .
H34C H 0.2258 0.1916 0.0252 0.580 Uiso 1 1 calc R . .
C41 C 0.6854(8) 0.0507(3) -0.0217(5) 0.053(3) Uani 1 1 d . . .
H41A H 0.6877 0.0194 -0.0322 0.063 Uiso 1 1 calc R . .
H41B H 0.7193 0.0662 -0.0576 0.063 Uiso 1 1 calc R . .
C42 C 0.7523(10) 0.0578(5) 0.0412(7) 0.100(5) Uani 1 1 d . . .
H42A H 0.7245 0.0408 0.0778 0.120 Uiso 1 1 calc R . .
H42B H 0.7527 0.0889 0.0535 0.120 Uiso 1 1 calc R . .
C43 C 0.8709(15) 0.0415(7) 0.0258(11) 0.164(8) Uani 1 1 d DU . .
H43A H 0.8687 0.0112 0.0099 0.196 Uiso 1 1 calc R . .
H43B H 0.8994 0.0598 -0.0091 0.196 Uiso 1 1 calc R . .
C44 C 0.931(2) 0.0440(9) 0.0785(13) 0.237(12) Uani 1 1 d DU . .
H44A H 1.0007 0.0340 0.0689 0.355 Uiso 1 1 calc R . .
H44B H 0.9024 0.0259 0.1129 0.355 Uiso 1 1 calc R . .
H44C H 0.9341 0.0742 0.0935 0.355 Uiso 1 1 calc R . .
C51 C 0.3483(11) 0.3560(4) -0.2293(7) 0.093(5) Uani 1 1 d . . .
H51A H 0.2977 0.3361 -0.2515 0.112 Uiso 1 1 calc R . .
H51B H 0.3402 0.3525 -0.1815 0.112 Uiso 1 1 calc R . .
C52 C 0.315(2) 0.4019(9) -0.2469(14) 0.204(11) Uani 1 1 d U . .
H52A H 0.3374 0.4098 -0.2912 0.245 Uiso 1 1 calc R . .
H52B H 0.2381 0.4047 -0.2462 0.245 Uiso 1 1 calc R . .
C53 C 0.359(3) 0.4265(10) -0.2026(18) 0.255(16) Uani 1 1 d U . .
H53A H 0.4346 0.4292 -0.2108 0.306 Uiso 1 1 calc R . .
H53B H 0.3522 0.4136 -0.1586 0.306 Uiso 1 1 calc R . .
C54 C 0.301(3) 0.4770(13) -0.2060(19) 0.34(2) Uani 1 1 d U . .
H54A H 0.3335 0.4958 -0.1722 0.509 Uiso 1 1 calc R . .
H54B H 0.2268 0.4740 -0.1984 0.509 Uiso 1 1 calc R . .
H54C H 0.3103 0.4899 -0.2493 0.509 Uiso 1 1 calc R . .
O1W O 0.488(3) 0.4189(11) 0.1913(19) 0.237(16) Uani 0.50 1 d PU . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sn1 0.0647(5) 0.0224(3) 0.0178(3) 0.0000(2) -0.0020(2) -0.0016(3)
Sn2 0.0751(8) 0.0222(4) 0.0451(5) 0.000 -0.0078(5) 0.000
O1 0.086(5) 0.032(3) 0.024(3) 0.001(2) -0.005(3) -0.012(3)
O2 0.102(5) 0.021(3) 0.021(3) -0.001(2) -0.002(3) -0.004(3)
O3 0.066(5) 0.033(3) 0.042(4) 0.003(3) -0.008(3) -0.001(3)
O4 0.105(6) 0.025(3) 0.055(4) 0.000(3) -0.009(4) -0.003(3)
O5 0.077(5) 0.022(3) 0.024(3) -0.002(2) -0.002(3) 0.002(3)
O6 0.087(5) 0.032(3) 0.014(3) 0.002(2) -0.001(3) -0.006(3)
O7 0.47(2) 0.038(5) 0.047(5) 0.001(4) -0.041(9) -0.078(8)
O8 0.098(6) 0.043(4) 0.068(5) -0.016(3) -0.043(4) 0.017(4)
O9 0.068(5) 0.042(4) 0.042(4) 0.004(3) -0.009(3) 0.009(3)
N1 0.077(6) 0.028(4) 0.034(4) -0.012(3) 0.011(4) -0.007(4)
N2 0.061(7) 0.029(5) 0.019(5) 0.000 -0.002(5) 0.000
C1 0.070(7) 0.024(4) 0.031(5) 0.000(4) 0.007(4) -0.004(4)
C2 0.060(7) 0.029(5) 0.049(6) 0.000(4) -0.006(5) 0.002(4)
C3 0.057(6) 0.037(5) 0.017(4) 0.002(3) -0.005(4) 0.005(4)
C4 0.067(7) 0.029(4) 0.031(5) -0.007(3) 0.016(4) -0.006(4)
C5 0.058(6) 0.035(5) 0.031(4) -0.004(4) 0.004(4) -0.003(4)
C6 0.064(7) 0.023(4) 0.036(5) -0.001(3) 0.005(4) -0.001(4)
C7 0.056(6) 0.028(4) 0.048(5) -0.006(4) 0.004(5) -0.005(4)
C8 0.060(7) 0.034(4) 0.035(5) -0.010(4) 0.018(4) -0.017(4)
C9 0.068(7) 0.037(5) 0.028(4) -0.003(4) 0.010(4) -0.009(4)
C10 0.224(18) 0.044(6) 0.042(6) -0.005(5) 0.025(8) -0.052(9)
C11 0.058(7) 0.050(6) 0.047(6) -0.018(5) 0.009(5) 0.003(5)
C12 0.165(14) 0.063(7) 0.041(6) -0.021(5) 0.024(7) -0.066(8)
C13 0.043(6) 0.076(7) 0.046(6) -0.032(5) 0.008(5) -0.015(5)
C14 0.076(9) 0.095(10) 0.097(10) -0.056(8) -0.023(8) 0.024(7)
C15 0.056(8) 0.142(13) 0.081(9) -0.087(10) 0.005(7) -0.012(8)
C16 0.196(19) 0.127(14) 0.056(9) -0.042(9) 0.030(10) -0.114(14)
C17 0.225(15) 0.096(9) 0.057(7) -0.012(7) 0.032(9) -0.087(10)
C18 0.090(10) 0.041(6) 0.089(9) 0.004(5) 0.037(7) 0.004(6)
C19 0.080(8) 0.029(5) 0.068(7) 0.009(4) 0.013(6) 0.009(5)
C20 0.060(7) 0.033(4) 0.040(5) -0.002(4) 0.016(4) 0.003(4)
C21 0.057(6) 0.033(4) 0.032(5) 0.005(4) 0.012(4) 0.007(4)
C22 0.056(8) 0.019(5) 0.024(6) 0.000 -0.007(5) 0.000
C23 0.049(6) 0.030(4) 0.019(4) 0.001(3) -0.002(4) -0.001(4)
C24 0.054(6) 0.022(4) 0.020(4) 0.000(3) 0.005(4) 0.005(4)
C25 0.060(9) 0.028(6) 0.023(6) 0.000 -0.005(5) 0.000
C31 0.074(7) 0.036(5) 0.045(5) 0.003(4) -0.001(5) 0.009(5)
C32 0.106(12) 0.160(14) 0.170(14) 0.069(11) 0.039(10) 0.058(10)
C33 0.147(15) 0.210(17) 0.218(17) 0.077(14) 0.044(13) 0.026(13)
C34 0.36(3) 0.38(3) 0.43(3) 0.029(19) 0.045(19) 0.122(19)
C41 0.060(7) 0.039(5) 0.059(6) 0.003(4) -0.003(5) 0.007(5)
C42 0.077(10) 0.110(11) 0.108(11) 0.035(9) -0.040(9) -0.005(8)
C43 0.141(13) 0.144(13) 0.197(15) -0.026(12) -0.098(12) 0.062(11)
C44 0.25(2) 0.210(18) 0.25(2) -0.057(16) -0.003(16) 0.023(16)
C51 0.132(13) 0.065(8) 0.081(9) -0.007(7) -0.012(8) 0.053(8)
C52 0.189(17) 0.212(19) 0.210(18) 0.011(16) -0.005(15) 0.026(15)
C53 0.263(18) 0.246(18) 0.257(18) -0.001(10) 0.002(10) -0.009(10)
C54 0.31(3) 0.33(3) 0.37(3) -0.033(19) -0.005(18) 0.033(19)
O1W 0.250(18) 0.212(18) 0.250(18) -0.008(10) 0.027(10) -0.008(10)

_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 C41 2.107(10) . ?
Sn1 C31 2.108(10) . ?
Sn1 O5 2.170(5) . ?
Sn1 O2 2.173(5) . ?
Sn1 O1 2.390(5) . ?
Sn1 C1 2.624(8) . ?
Sn2 C51 2.090(13) 2_654 ?
Sn2 C51 2.090(13) . ?
Sn2 O3 2.107(6) 2_654 ?
Sn2 O3 2.107(6) . ?
O1 C1 1.256(9) . ?
O2 C1 1.277(9) . ?
O3 C2 1.306(10) . ?
O4 C2 1.227(10) . ?
O5 C3 1.296(9) . ?
O6 C3 1.238(9) . ?
O7 C10 1.214(16) . ?
O8 C11 1.199(11) . ?
O9 C21 1.194(10) . ?
N1 C10 1.396(12) . ?
N1 C11 1.423(12) . ?
N1 C8 1.435(10) . ?
N2 C22 1.406(13) . ?
N2 C21 1.424(10) 2_654 ?
N2 C21 1.424(10) . ?
C1 C4 1.507(11) . ?
C2 C6 1.492(11) . ?
C3 C24 1.485(10) . ?
C4 C9 1.376(11) . ?
C4 C5 1.394(11) . ?
C5 C6 1.388(11) . ?
C5 H5A 0.9300 . ?
C6 C7 1.386(11) . ?
C7 C8 1.389(12) . ?
C7 H7A 0.9300 . ?
C8 C9 1.401(11) . ?
C9 H9A 0.9300 . ?
C10 C12 1.477(17) . ?
C11 C13 1.486(12) . ?
C12 C13 1.308(16) . ?
C12 C17 1.417(15) . ?
C13 C14 1.364(15) . ?
C14 C15 1.409(16) . ?
C14 H14A 0.9300 . ?
C15 C16 1.35(2) . ?
C15 H15A 0.9300 . ?
C16 C17 1.33(2) . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9300 . ?
C18 C19 1.385(13) . ?
C18 C18 1.39(2) 2_654 ?
C18 H18A 0.9300 . ?
C19 C20 1.385(12) . ?
C19 H19A 0.9300 . ?
C20 C20 1.393(17) 2_654 ?
C20 C21 1.483(11) . ?
C22 C23 1.404(9) . ?
C22 C23 1.404(9) 2_654 ?
C23 C24 1.400(10) . ?
C23 H23A 0.9300 . ?
C24 C25 1.389(9) . ?
C25 C24 1.389(9) 2_654 ?
C25 H25A 0.9300 . ?
C31 C32 1.420(16) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.57(2) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.82(3) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C41 C42 1.500(15) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C43 1.62(2) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.27(2) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C51 C52 1.49(3) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 C53 1.27(3) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.69(4) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?

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
C41 Sn1 C31 160.8(4) . . ?
C41 Sn1 O5 92.0(3) . . ?
C31 Sn1 O5 99.3(3) . . ?
C41 Sn1 O2 98.9(3) . . ?
C31 Sn1 O2 97.7(3) . . ?
O5 Sn1 O2 83.71(19) . . ?
C41 Sn1 O1 89.9(3) . . ?
C31 Sn1 O1 91.0(3) . . ?
O5 Sn1 O1 140.94(19) . . ?
O2 Sn1 O1 57.49(18) . . ?
C41 Sn1 C1 95.5(3) . . ?
C31 Sn1 C1 94.3(3) . . ?
O5 Sn1 C1 112.6(2) . . ?
O2 Sn1 C1 29.0(2) . . ?
O1 Sn1 C1 28.5(2) . . ?
C51 Sn2 C51 141.2(8) 2_654 . ?
C51 Sn2 O3 102.3(4) 2_654 2_654 ?
C51 Sn2 O3 106.6(4) . 2_654 ?
C51 Sn2 O3 106.6(4) 2_654 . ?
C51 Sn2 O3 102.3(4) . . ?
O3 Sn2 O3 83.0(3) 2_654 . ?
C1 O1 Sn1 86.1(5) . . ?
C1 O2 Sn1 95.5(4) . . ?
C2 O3 Sn2 102.4(5) . . ?
C3 O5 Sn1 104.3(4) . . ?
C10 N1 C11 108.9(9) . . ?
C10 N1 C8 125.4(9) . . ?
C11 N1 C8 125.5(7) . . ?
C22 N2 C21 124.5(5) . 2_654 ?
C22 N2 C21 124.5(5) . . ?
C21 N2 C21 111.1(9) 2_654 . ?
O1 C1 O2 120.9(7) . . ?
O1 C1 C4 120.3(7) . . ?
O2 C1 C4 118.9(7) . . ?
O1 C1 Sn1 65.4(4) . . ?
O2 C1 Sn1 55.5(4) . . ?
C4 C1 Sn1 174.3(6) . . ?
O4 C2 O3 119.8(8) . . ?
O4 C2 C6 123.3(8) . . ?
O3 C2 C6 116.9(7) . . ?
O6 C3 O5 120.5(7) . . ?
O6 C3 C24 121.6(7) . . ?
O5 C3 C24 117.9(6) . . ?
C9 C4 C5 121.6(8) . . ?
C9 C4 C1 119.3(8) . . ?
C5 C4 C1 119.1(7) . . ?
C6 C5 C4 117.9(8) . . ?
C6 C5 H5A 121.0 . . ?
C4 C5 H5A 121.0 . . ?
C7 C6 C5 121.2(8) . . ?
C7 C6 C2 118.4(7) . . ?
C5 C6 C2 120.3(7) . . ?
C6 C7 C8 120.2(8) . . ?
C6 C7 H7A 119.9 . . ?
C8 C7 H7A 119.9 . . ?
C7 C8 C9 119.0(8) . . ?
C7 C8 N1 120.7(7) . . ?
C9 C8 N1 120.2(8) . . ?
C4 C9 C8 119.9(8) . . ?
C4 C9 H9A 120.1 . . ?
C8 C9 H9A 120.1 . . ?
O7 C10 N1 124.2(12) . . ?
O7 C10 C12 128.7(10) . . ?
N1 C10 C12 106.9(10) . . ?
O8 C11 N1 125.2(8) . . ?
O8 C11 C13 129.5(10) . . ?
N1 C11 C13 105.3(9) . . ?
C13 C12 C17 121.1(13) . . ?
C13 C12 C10 109.0(9) . . ?
C17 C12 C10 129.8(13) . . ?
C12 C13 C14 121.4(10) . . ?
C12 C13 C11 109.8(10) . . ?
C14 C13 C11 128.8(11) . . ?
C13 C14 C15 117.3(14) . . ?
C13 C14 H14A 121.4 . . ?
C15 C14 H14A 121.4 . . ?
C16 C15 C14 121.1(14) . . ?
C16 C15 H15A 119.4 . . ?
C14 C15 H15A 119.4 . . ?
C17 C16 C15 120.1(13) . . ?
C17 C16 H16A 119.9 . . ?
C15 C16 H16A 119.9 . . ?
C16 C17 C12 118.9(15) . . ?
C16 C17 H17A 120.6 . . ?
C12 C17 H17A 120.6 . . ?
C19 C18 C18 121.4(6) . 2_654 ?
C19 C18 H18A 119.3 . . ?
C18 C18 H18A 119.3 2_654 . ?
C20 C19 C18 117.2(10) . . ?
C20 C19 H19A 121.4 . . ?
C18 C19 H19A 121.4 . . ?
C19 C20 C20 121.4(6) . 2_654 ?
C19 C20 C21 129.9(9) . . ?
C20 C20 C21 108.8(5) 2_654 . ?
O9 C21 N2 124.6(8) . . ?
O9 C21 C20 129.8(8) . . ?
N2 C21 C20 105.7(8) . . ?
C23 C22 C23 119.9(9) . 2_654 ?
C23 C22 N2 120.0(5) . . ?
C23 C22 N2 120.0(5) 2_654 . ?
C24 C23 C22 119.7(7) . . ?
C24 C23 H23A 120.2 . . ?
C22 C23 H23A 120.2 . . ?
C25 C24 C23 120.0(7) . . ?
C25 C24 C3 119.7(7) . . ?
C23 C24 C3 120.3(6) . . ?
C24 C25 C24 120.6(10) 2_654 . ?
C24 C25 H25A 119.7 2_654 . ?
C24 C25 H25A 119.7 . . ?
C32 C31 Sn1 113.3(9) . . ?
C32 C31 H31A 108.9 . . ?
Sn1 C31 H31A 108.9 . . ?
C32 C31 H31B 108.9 . . ?
Sn1 C31 H31B 108.9 . . ?
H31A C31 H31B 107.7 . . ?
C31 C32 C33 115.1(15) . . ?
C31 C32 H32A 108.5 . . ?
C33 C32 H32A 108.5 . . ?
C31 C32 H32B 108.5 . . ?
C33 C32 H32B 108.5 . . ?
H32A C32 H32B 107.5 . . ?
C32 C33 C34 101.2(19) . . ?
C32 C33 H33A 111.5 . . ?
C34 C33 H33A 111.5 . . ?
C32 C33 H33B 111.5 . . ?
C34 C33 H33B 111.5 . . ?
H33A C33 H33B 109.3 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C42 C41 Sn1 119.1(8) . . ?
C42 C41 H41A 107.5 . . ?
Sn1 C41 H41A 107.5 . . ?
C42 C41 H41B 107.5 . . ?
Sn1 C41 H41B 107.5 . . ?
H41A C41 H41B 107.0 . . ?
C41 C42 C43 106.8(13) . . ?
C41 C42 H42A 110.4 . . ?
C43 C42 H42A 110.4 . . ?
C41 C42 H42B 110.4 . . ?
C43 C42 H42B 110.4 . . ?
H42A C42 H42B 108.6 . . ?
C44 C43 C42 110(2) . . ?
C44 C43 H43A 109.6 . . ?
C42 C43 H43A 109.6 . . ?
C44 C43 H43B 109.6 . . ?
C42 C43 H43B 109.6 . . ?
H43A C43 H43B 108.1 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C52 C51 Sn2 121.1(15) . . ?
C52 C51 H51A 107.0 . . ?
Sn2 C51 H51A 107.0 . . ?
C52 C51 H51B 107.0 . . ?
Sn2 C51 H51B 107.0 . . ?
H51A C51 H51B 106.8 . . ?
C53 C52 C51 105(3) . . ?
C53 C52 H52A 110.6 . . ?
C51 C52 H52A 110.6 . . ?
C53 C52 H52B 110.6 . . ?
C51 C52 H52B 110.6 . . ?
H52A C52 H52B 108.8 . . ?
C52 C53 C54 109(3) . . ?
C52 C53 H53A 110.0 . . ?
C54 C53 H53A 110.0 . . ?
C52 C53 H53B 110.0 . . ?
C54 C53 H53B 110.0 . . ?
H53A C53 H53B 108.3 . . ?
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 . . ?

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
C41 Sn1 O1 C1 101.9(6) . . . . ?
C31 Sn1 O1 C1 -97.3(6) . . . . ?
O5 Sn1 O1 C1 8.8(7) . . . . ?
O2 Sn1 O1 C1 1.2(5) . . . . ?
C41 Sn1 O2 C1 -85.3(6) . . . . ?
C31 Sn1 O2 C1 85.1(6) . . . . ?
O5 Sn1 O2 C1 -176.4(6) . . . . ?
O1 Sn1 O2 C1 -1.2(5) . . . . ?
C51 Sn2 O3 C2 71.7(7) 2_654 . . . ?
C51 Sn2 O3 C2 -82.0(7) . . . . ?
O3 Sn2 O3 C2 172.5(7) 2_654 . . . ?
C41 Sn1 O5 C3 79.5(6) . . . . ?
C31 Sn1 O5 C3 -85.0(6) . . . . ?
O2 Sn1 O5 C3 178.2(6) . . . . ?
O1 Sn1 O5 C3 171.8(5) . . . . ?
C1 Sn1 O5 C3 176.3(6) . . . . ?
Sn1 O1 C1 O2 -2.0(9) . . . . ?
Sn1 O1 C1 C4 179.0(9) . . . . ?
Sn1 O2 C1 O1 2.2(10) . . . . ?
Sn1 O2 C1 C4 -178.8(8) . . . . ?
C41 Sn1 C1 O1 -79.5(6) . . . . ?
C31 Sn1 C1 O1 84.0(6) . . . . ?
O5 Sn1 C1 O1 -174.0(5) . . . . ?
O2 Sn1 C1 O1 -177.9(10) . . . . ?
C41 Sn1 C1 O2 98.4(6) . . . . ?
C31 Sn1 C1 O2 -98.0(6) . . . . ?
O5 Sn1 C1 O2 3.9(6) . . . . ?
O1 Sn1 C1 O2 177.9(10) . . . . ?
C41 Sn1 C1 C4 109(7) . . . . ?
C31 Sn1 C1 C4 -87(7) . . . . ?
O5 Sn1 C1 C4 15(7) . . . . ?
O2 Sn1 C1 C4 11(7) . . . . ?
O1 Sn1 C1 C4 -171(7) . . . . ?
Sn2 O3 C2 O4 0.4(11) . . . . ?
Sn2 O3 C2 C6 -179.9(7) . . . . ?
Sn1 O5 C3 O6 8.9(10) . . . . ?
Sn1 O5 C3 C24 -169.1(6) . . . . ?
O1 C1 C4 C9 7.4(14) . . . . ?
O2 C1 C4 C9 -171.6(9) . . . . ?
Sn1 C1 C4 C9 178(100) . . . . ?
O1 C1 C4 C5 -172.3(9) . . . . ?
O2 C1 C4 C5 8.7(14) . . . . ?
Sn1 C1 C4 C5 -1(8) . . . . ?
C9 C4 C5 C6 -0.7(14) . . . . ?
C1 C4 C5 C6 179.0(9) . . . . ?
C4 C5 C6 C7 3.7(14) . . . . ?
C4 C5 C6 C2 -179.2(8) . . . . ?
O4 C2 C6 C7 -6.0(15) . . . . ?
O3 C2 C6 C7 174.3(8) . . . . ?
O4 C2 C6 C5 176.8(10) . . . . ?
O3 C2 C6 C5 -2.9(14) . . . . ?
C5 C6 C7 C8 -3.5(14) . . . . ?
C2 C6 C7 C8 179.3(9) . . . . ?
C6 C7 C8 C9 0.4(14) . . . . ?
C6 C7 C8 N1 177.7(8) . . . . ?
C10 N1 C8 C7 6.7(16) . . . . ?
C11 N1 C8 C7 -166.6(9) . . . . ?
C10 N1 C8 C9 -176.0(11) . . . . ?
C11 N1 C8 C9 10.7(14) . . . . ?
C5 C4 C9 C8 -2.3(14) . . . . ?
C1 C4 C9 C8 178.0(9) . . . . ?
C7 C8 C9 C4 2.5(14) . . . . ?
N1 C8 C9 C4 -174.9(8) . . . . ?
C11 N1 C10 O7 -174.7(15) . . . . ?
C8 N1 C10 O7 11(2) . . . . ?
C11 N1 C10 C12 1.7(14) . . . . ?
C8 N1 C10 C12 -172.5(9) . . . . ?
C10 N1 C11 O8 178.5(12) . . . . ?
C8 N1 C11 O8 -7.3(16) . . . . ?
C10 N1 C11 C13 -1.8(12) . . . . ?
C8 N1 C11 C13 172.4(8) . . . . ?
O7 C10 C12 C13 175.3(17) . . . . ?
N1 C10 C12 C13 -0.9(16) . . . . ?
O7 C10 C12 C17 -7(3) . . . . ?
N1 C10 C12 C17 177.2(15) . . . . ?
C17 C12 C13 C14 1(2) . . . . ?
C10 C12 C13 C14 179.3(11) . . . . ?
C17 C12 C13 C11 -178.5(12) . . . . ?
C10 C12 C13 C11 -0.2(15) . . . . ?
O8 C11 C13 C12 -179.1(12) . . . . ?
N1 C11 C13 C12 1.2(12) . . . . ?
O8 C11 C13 C14 1.5(19) . . . . ?
N1 C11 C13 C14 -178.2(11) . . . . ?
C12 C13 C14 C15 0.4(18) . . . . ?
C11 C13 C14 C15 179.8(10) . . . . ?
C13 C14 C15 C16 0(2) . . . . ?
C14 C15 C16 C17 -2(3) . . . . ?
C15 C16 C17 C12 3(3) . . . . ?
C13 C12 C17 C16 -3(2) . . . . ?
C10 C12 C17 C16 179.3(16) . . . . ?
C18 C18 C19 C20 -0.4(19) 2_654 . . . ?
C18 C19 C20 C20 0.7(17) . . . 2_654 ?
C18 C19 C20 C21 -178.7(10) . . . . ?
C22 N2 C21 O9 -0.2(11) . . . . ?
C21 N2 C21 O9 179.8(11) 2_654 . . . ?
C22 N2 C21 C20 179.5(4) . . . . ?
C21 N2 C21 C20 -0.5(4) 2_654 . . . ?
C19 C20 C21 O9 0.5(17) . . . . ?
C20 C20 C21 O9 -178.9(10) 2_654 . . . ?
C19 C20 C21 N2 -179.1(9) . . . . ?
C20 C20 C21 N2 1.5(12) 2_654 . . . ?
C21 N2 C22 C23 139.7(6) 2_654 . . . ?
C21 N2 C22 C23 -40.3(6) . . . . ?
C21 N2 C22 C23 -40.3(6) 2_654 . . 2_654 ?
C21 N2 C22 C23 139.7(6) . . . 2_654 ?
C23 C22 C23 C24 -1.8(6) 2_654 . . . ?
N2 C22 C23 C24 178.2(6) . . . . ?
C22 C23 C24 C25 3.6(12) . . . . ?
C22 C23 C24 C3 -175.7(7) . . . . ?
O6 C3 C24 C25 177.6(7) . . . . ?
O5 C3 C24 C25 -4.5(12) . . . . ?
O6 C3 C24 C23 -3.2(13) . . . . ?
O5 C3 C24 C23 174.8(8) . . . . ?
C23 C24 C25 C24 -1.8(6) . . . 2_654 ?
C3 C24 C25 C24 177.4(9) . . . 2_654 ?
C41 Sn1 C31 C32 158.0(13) . . . . ?
O5 Sn1 C31 C32 -76.6(11) . . . . ?
O2 Sn1 C31 C32 8.2(11) . . . . ?
O1 Sn1 C31 C32 65.5(11) . . . . ?
C1 Sn1 C31 C32 37.2(11) . . . . ?
Sn1 C31 C32 C33 178.3(14) . . . . ?
C31 C32 C33 C34 153.1(19) . . . . ?
C31 Sn1 C41 C42 -55.8(15) . . . . ?
O5 Sn1 C41 C42 177.8(9) . . . . ?
O2 Sn1 C41 C42 93.8(9) . . . . ?
O1 Sn1 C41 C42 36.8(9) . . . . ?
C1 Sn1 C41 C42 64.8(9) . . . . ?
Sn1 C41 C42 C43 -177.8(10) . . . . ?
C41 C42 C43 C44 -176(2) . . . . ?
C51 Sn2 C51 C52 19.7(15) 2_654 . . . ?
O3 Sn2 C51 C52 -116.7(15) 2_654 . . . ?
O3 Sn2 C51 C52 157.1(15) . . . . ?
Sn2 C51 C52 C53 -77(3) . . . . ?
C51 C52 C53 C54 -165(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.04
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.073
_refine_diff_density_min         -0.886
_refine_diff_density_rms         0.140
_database_code_depnum_ccdc_archive 'CCDC 827595'