# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_tetramer
_database_code_depnum_ccdc_archive 'CCDC 818335'
_audit_update_record             
;
2020-01-07 deposited with the CCDC.	2020-04-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C120 H156 N16 O10 Sn4'
_chemical_formula_sum            'C120 H156 N16 O10 Sn4'
_chemical_formula_weight         2457.37

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           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1004(6)
_cell_length_b                   15.7386(7)
_cell_length_c                   17.8971(8)
_cell_angle_alpha                65.224(3)
_cell_angle_beta                 70.191(3)
_cell_angle_gamma                79.065(4)
_cell_volume                     3147.2(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5000
_cell_measurement_theta_min      5
_cell_measurement_theta_max      25

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_method    none
_exptl_crystal_F_000             1268
_exptl_absorpt_coefficient_mu    0.844
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7289
_exptl_absorpt_correction_T_max  0.8494
_exptl_absorpt_process_details   
;
The crystal faces were indexed by microscope on the diffractometer. After 
that a numerical absorption correction basing on a Gaussian algorithsm 
was applied, which is implemented in the X-RED program (Stoe, 2002).
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'long fine focus sealed X-ray tube'
_diffrn_radiation_monochromator  'planar graphite'
_diffrn_radiation_collimation    '0.5 mm diameter monocapillary'
_diffrn_measurement_device       'Stoe IPDS-2t diffractometer'
_diffrn_measurement_method       'ω-rotation,ω-incr.=1°,319 exposures'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            37485
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_sigmaI/netI    0.0780
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.38
_diffrn_reflns_theta_max         27.00
_reflns_number_total             13631
_reflns_number_gt                9638
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0416P)²] where P=(Fo²+2Fc²)/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         13631
_refine_ls_number_parameters     684
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0482
_refine_ls_wR_factor_ref         0.0929
_refine_ls_wR_factor_gt          0.0859
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_restrained_S_all      0.996
_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
C1 C 0.1346(3) -0.0913(3) 0.6252(2) 0.0211(8) Uani 1 1 d . . .
C2 C 0.1026(3) -0.1509(3) 0.7217(2) 0.0202(8) Uani 1 1 d . . .
C3 C 0.1625(3) -0.1573(3) 0.7750(2) 0.0222(8) Uani 1 1 d . . .
H3 H 0.2283 -0.1260 0.7510 0.027 Uiso 1 1 calc R . .
C4 C 0.1270(3) -0.2088(3) 0.8626(2) 0.0231(8) Uani 1 1 d . . .
H4 H 0.1677 -0.2112 0.8985 0.028 Uiso 1 1 calc R . .
C5 C 0.0331(3) -0.2567(3) 0.8983(2) 0.0191(8) Uani 1 1 d . . .
C6 C -0.0257(3) -0.2523(3) 0.8449(2) 0.0221(8) Uani 1 1 d . . .
H6 H -0.0898 -0.2858 0.8685 0.027 Uiso 1 1 calc R . .
C7 C 0.0088(3) -0.1990(3) 0.7577(2) 0.0250(9) Uani 1 1 d . . .
H7 H -0.0327 -0.1955 0.7220 0.030 Uiso 1 1 calc R . .
C8 C -0.0115(3) -0.3047(3) 0.9948(2) 0.0201(8) Uani 1 1 d . . .
H8 H -0.0725 -0.3439 1.0093 0.024 Uiso 1 1 calc R . .
C9 C 0.0227(4) -0.3736(3) 1.1276(3) 0.0347(11) Uani 1 1 d . . .
H9A H 0.0786 -0.3686 1.1513 0.042 Uiso 1 1 calc R . .
H9B H -0.0090 -0.4355 1.1625 0.042 Uiso 1 1 calc R . .
C10 C -0.0648(4) -0.2953(3) 1.1281(2) 0.0295(10) Uani 1 1 d . . .
H10A H -0.1381 -0.3204 1.1554 0.035 Uiso 1 1 calc R . .
H10B H -0.0553 -0.2593 1.1590 0.035 Uiso 1 1 calc R . .
C11 C -0.1456(3) -0.1813(3) 1.0164(3) 0.0272(9) Uani 1 1 d . . .
H11A H -0.2058 -0.2235 1.0394 0.033 Uiso 1 1 calc R . .
H11B H -0.1314 -0.1509 0.9532 0.033 Uiso 1 1 calc R . .
C12 C -0.1800(3) -0.1070(3) 1.0543(2) 0.0270(9) Uani 1 1 d . . .
C13 C -0.1065(4) -0.0692(3) 1.0708(3) 0.0348(10) Uani 1 1 d . . .
H13 H -0.0321 -0.0906 1.0602 0.042 Uiso 1 1 calc R . .
C14 C -0.1444(4) 0.0010(4) 1.1033(3) 0.0428(12) Uani 1 1 d . . .
H14 H -0.0963 0.0290 1.1148 0.051 Uiso 1 1 calc R . .
C15 C -0.2537(4) 0.0288(3) 1.1185(3) 0.0366(11) Uani 1 1 d . . .
H15 H -0.2821 0.0770 1.1400 0.044 Uiso 1 1 calc R . .
C16 C -0.3202(4) -0.0143(3) 1.1021(3) 0.0338(10) Uani 1 1 d . . .
H16 H -0.3952 0.0048 1.1136 0.041 Uiso 1 1 calc R . .
C17 C 0.1051(3) -0.4493(3) 1.0247(3) 0.0254(9) Uani 1 1 d . . .
H17A H 0.1180 -0.4378 0.9635 0.031 Uiso 1 1 calc R . .
H17B H 0.0464 -0.4936 1.0596 0.031 Uiso 1 1 calc R . .
C18 C 0.2071(3) -0.4927(3) 1.0500(2) 0.0241(8) Uani 1 1 d . . .
C19 C 0.2745(4) -0.4421(3) 1.0586(3) 0.0349(10) Uani 1 1 d . . .
H19 H 0.2574 -0.3775 1.0482 0.042 Uiso 1 1 calc R . .
C20 C 0.3664(4) -0.4853(3) 1.0824(4) 0.0461(13) Uani 1 1 d . . .
H20 H 0.4133 -0.4513 1.0889 0.055 Uiso 1 1 calc R . .
C21 C 0.3893(4) -0.5795(3) 1.0966(4) 0.0442(12) Uani 1 1 d . . .
H21 H 0.4514 -0.6120 1.1141 0.053 Uiso 1 1 calc R . .
C22 C 0.3195(3) -0.6246(3) 1.0846(3) 0.0322(10) Uani 1 1 d . . .
H22 H 0.3367 -0.6886 1.0923 0.039 Uiso 1 1 calc R . .
C23 C 0.2822(4) -0.1235(3) 0.4265(3) 0.0345(11) Uani 1 1 d . . .
H23A H 0.2629 -0.1040 0.3725 0.041 Uiso 1 1 calc R . .
H23B H 0.3583 -0.1495 0.4160 0.041 Uiso 1 1 calc R . .
C24 C 0.2114(5) -0.2020(4) 0.4940(3) 0.0615(17) Uani 1 1 d D A .
H24A H 0.1346 -0.1777 0.5050 0.074 Uiso 1 1 d R . .
H24B H 0.2309 -0.2241 0.5482 0.074 Uiso 1 1 d R . .
C25 C 0.2210(7) -0.2837(5) 0.4680(4) 0.085(2) Uani 1 1 d D . .
H25A H 0.1577 -0.3225 0.5048 0.102 Uiso 0.635(14) 1 d PR A 1
H25B H 0.2180 -0.2585 0.4080 0.102 Uiso 0.635(14) 1 d PR A 1
H25C H 0.1650 -0.2738 0.4390 0.102 Uiso 0.365(14) 1 d PR A 2
H25D H 0.2927 -0.2824 0.4250 0.102 Uiso 0.365(14) 1 d PR A 2
C26S C 0.212(2) -0.3797(10) 0.5367(13) 0.098(8) Uiso 0.365(14) 1 d PDU A 2
H26D H 0.2138 -0.4259 0.5128 0.146 Uiso 0.365(14) 1 d PR A 2
H26E H 0.1449 -0.3841 0.5838 0.146 Uiso 0.365(14) 1 d PR A 2
H26F H 0.2748 -0.3922 0.5586 0.146 Uiso 0.365(14) 1 d PR A 2
C26 C 0.3182(8) -0.3418(6) 0.4732(6) 0.057(3) Uani 0.635(14) 1 d PDU A 1
H26A H 0.3177 -0.3928 0.4555 0.086 Uiso 0.635(14) 1 d PR A 1
H26B H 0.3219 -0.3682 0.5325 0.086 Uiso 0.635(14) 1 d PR A 1
H26C H 0.3816 -0.3048 0.4351 0.086 Uiso 0.635(14) 1 d PR A 1
C27 C 0.1708(3) 0.1205(3) 0.4461(3) 0.0290(9) Uani 1 1 d . . .
H27A H 0.0963 0.1020 0.4603 0.035 Uiso 1 1 calc R . .
H27B H 0.1723 0.1379 0.4928 0.035 Uiso 1 1 calc R . .
C28 C 0.1895(4) 0.2078(3) 0.3644(3) 0.0331(10) Uani 1 1 d . . .
H28A H 0.1876 0.1927 0.3164 0.040 Uiso 1 1 calc R . .
H28B H 0.2623 0.2298 0.3499 0.040 Uiso 1 1 calc R . .
C29 C 0.1038(4) 0.2855(3) 0.3740(3) 0.0406(11) Uani 1 1 d . . .
H29A H 0.1075 0.3013 0.4210 0.049 Uiso 1 1 calc R . .
H29B H 0.0311 0.2620 0.3909 0.049 Uiso 1 1 calc R . .
C30 C 0.1161(5) 0.3743(4) 0.2927(3) 0.0547(15) Uani 1 1 d . . .
H30A H 0.1874 0.3987 0.2759 0.082 Uiso 1 1 calc R . .
H30B H 0.0589 0.4214 0.3037 0.082 Uiso 1 1 calc R . .
H30C H 0.1098 0.3598 0.2463 0.082 Uiso 1 1 calc R . .
C31 C 0.4458(3) 0.1060(3) 0.2593(2) 0.0195(8) Uani 1 1 d . . .
C32 C 0.4604(3) 0.1413(3) 0.1640(2) 0.0183(8) Uani 1 1 d . . .
C33 C 0.3966(3) 0.1103(3) 0.1335(2) 0.0189(8) Uani 1 1 d . . .
H33 H 0.3387 0.0709 0.1725 0.023 Uiso 1 1 calc R . .
C34 C 0.4181(3) 0.1374(3) 0.0452(2) 0.0195(8) Uani 1 1 d . . .
H34 H 0.3763 0.1146 0.0239 0.023 Uiso 1 1 calc R . .
C35 C 0.5000(3) 0.1973(3) -0.0120(2) 0.0200(8) Uani 1 1 d . . .
C36 C 0.5621(3) 0.2297(3) 0.0191(2) 0.0224(8) Uani 1 1 d . . .
H36 H 0.6180 0.2712 -0.0199 0.027 Uiso 1 1 calc R . .
C37 C 0.5427(3) 0.2018(3) 0.1063(2) 0.0214(8) Uani 1 1 d . . .
H37 H 0.5856 0.2238 0.1273 0.026 Uiso 1 1 calc R . .
C38 C 0.5216(3) 0.2287(3) -0.1079(2) 0.0214(8) Uani 1 1 d . . .
H38 H 0.4789 0.1920 -0.1199 0.026 Uiso 1 1 calc R . .
C39 C 0.6403(4) 0.2785(3) -0.2434(3) 0.0362(11) Uani 1 1 d . . .
H39A H 0.6168 0.2432 -0.2688 0.043 Uiso 1 1 calc R . .
H39B H 0.7143 0.2997 -0.2787 0.043 Uiso 1 1 calc R . .
C40 C 0.5608(4) 0.3613(3) -0.2377(3) 0.0362(11) Uani 1 1 d . . .
H40A H 0.6001 0.4170 -0.2533 0.043 Uiso 1 1 calc R . .
H40B H 0.5154 0.3772 -0.2766 0.043 Uiso 1 1 calc R . .
C41 C 0.3764(3) 0.3435(3) -0.1359(3) 0.0303(9) Uani 1 1 d . . .
H41A H 0.3377 0.3160 -0.0737 0.036 Uiso 1 1 calc R . .
H41B H 0.3574 0.3088 -0.1641 0.036 Uiso 1 1 calc R . .
C42 C 0.3366(4) 0.4445(3) -0.1719(3) 0.0305(10) Uani 1 1 d . . .
C43 C 0.3648(4) 0.5124(3) -0.1560(3) 0.0407(11) Uani 1 1 d . . .
H43 H 0.4159 0.4984 -0.1248 0.049 Uiso 1 1 calc R . .
C44 C 0.3184(5) 0.6025(4) -0.1857(3) 0.0484(13) Uani 1 1 d . . .
H44 H 0.3370 0.6514 -0.1755 0.058 Uiso 1 1 calc R . .
C45 C 0.2446(4) 0.6192(4) -0.2304(3) 0.0466(13) Uani 1 1 d . . .
H45 H 0.2098 0.6797 -0.2507 0.056 Uiso 1 1 calc R . .
C46 C 0.2228(5) 0.5494(4) -0.2447(4) 0.0609(17) Uani 1 1 d . . .
H46 H 0.1732 0.5624 -0.2770 0.073 Uiso 1 1 calc R . .
C47 C 0.6734(4) 0.1236(3) -0.1409(3) 0.0333(10) Uani 1 1 d . . .
H47A H 0.6276 0.0978 -0.1597 0.040 Uiso 1 1 calc R . .
H47B H 0.6638 0.0863 -0.0789 0.040 Uiso 1 1 calc R . .
C48 C 0.7903(4) 0.1142(3) -0.1901(3) 0.0333(10) Uani 1 1 d . . .
C49 C 0.8725(4) 0.1585(4) -0.1919(4) 0.0539(15) Uani 1 1 d . . .
H49 H 0.8575 0.1958 -0.1588 0.065 Uiso 1 1 calc R . .
C50 C 0.9776(5) 0.1485(5) -0.2425(4) 0.0650(18) Uani 1 1 d . . .
H50 H 1.0349 0.1801 -0.2457 0.078 Uiso 1 1 calc R . .
C51 C 0.9970(4) 0.0921(4) -0.2876(4) 0.0508(14) Uani 1 1 d . . .
H51 H 1.0682 0.0830 -0.3219 0.061 Uiso 1 1 calc R . .
C52 C 0.9127(4) 0.0499(4) -0.2823(4) 0.0518(15) Uani 1 1 d . . .
H52 H 0.9271 0.0108 -0.3137 0.062 Uiso 1 1 calc R . .
C53 C 0.6638(3) -0.0483(3) 0.3583(3) 0.0303(10) Uani 1 1 d . . .
H53A H 0.7158 -0.0170 0.3013 0.036 Uiso 1 1 calc R . .
H53B H 0.7071 -0.0851 0.3986 0.036 Uiso 1 1 calc R . .
C54 C 0.6049(4) -0.1159(3) 0.3505(3) 0.0330(10) Uani 1 1 d . . .
H54A H 0.5667 -0.0811 0.3062 0.040 Uiso 1 1 calc R . .
H54B H 0.5495 -0.1453 0.4059 0.040 Uiso 1 1 calc R . .
C55 C 0.6812(4) -0.1923(3) 0.3263(3) 0.0376(11) Uani 1 1 d . . .
H55A H 0.7376 -0.1626 0.2716 0.045 Uiso 1 1 calc R . .
H55B H 0.7182 -0.2278 0.3713 0.045 Uiso 1 1 calc R . .
C56 C 0.6238(5) -0.2603(4) 0.3161(4) 0.0577(16) Uani 1 1 d . . .
H56A H 0.5703 -0.2924 0.3708 0.087 Uiso 1 1 calc R . .
H56B H 0.6772 -0.3066 0.2992 0.087 Uiso 1 1 calc R . .
H56C H 0.5868 -0.2258 0.2717 0.087 Uiso 1 1 calc R . .
C57 C 0.5634(3) 0.1967(3) 0.3935(3) 0.0264(9) Uani 1 1 d . . .
H57A H 0.5848 0.1940 0.4425 0.032 Uiso 1 1 calc R . .
H57B H 0.6180 0.2322 0.3400 0.032 Uiso 1 1 calc R . .
C58 C 0.4540(4) 0.2503(3) 0.3948(3) 0.0330(10) Uani 1 1 d . . .
H58A H 0.3969 0.2104 0.4426 0.040 Uiso 1 1 calc R . .
H58B H 0.4385 0.2638 0.3404 0.040 Uiso 1 1 calc R . .
C59 C 0.4487(4) 0.3425(3) 0.4057(3) 0.0416(12) Uani 1 1 d . . .
H59A H 0.4651 0.3291 0.4597 0.050 Uiso 1 1 calc R . .
H59B H 0.5051 0.3828 0.3575 0.050 Uiso 1 1 calc R . .
C60 C 0.3383(5) 0.3951(4) 0.4080(5) 0.0699(19) Uani 1 1 d . . .
H60A H 0.3242 0.4130 0.3528 0.105 Uiso 1 1 calc R . .
H60B H 0.3379 0.4515 0.4185 0.105 Uiso 1 1 calc R . .
H60C H 0.2818 0.3546 0.4543 0.105 Uiso 1 1 calc R . .
N1 N -0.0488(3) -0.2365(2) 1.0359(2) 0.0238(7) Uani 1 1 d . . .
N2 N 0.0704(3) -0.3615(2) 1.03684(19) 0.0225(7) Uani 1 1 d . . .
N3 N -0.2859(3) -0.0819(3) 1.0706(2) 0.0295(8) Uani 1 1 d . . .
N4 N 0.2289(3) -0.5838(2) 1.0625(2) 0.0276(8) Uani 1 1 d . . .
N5 N 0.4936(3) 0.3298(2) -0.1472(2) 0.0255(7) Uani 1 1 d . . .
N6 N 0.6375(3) 0.2210(2) -0.1538(2) 0.0254(7) Uani 1 1 d . . .
N7 N 0.2666(4) 0.4611(3) -0.2166(3) 0.0541(12) Uani 1 1 d . . .
N8 N 0.8100(3) 0.0595(3) -0.2354(3) 0.0431(10) Uani 1 1 d . . .
O1 O 0.2348(2) -0.06802(19) 0.59123(15) 0.0217(6) Uani 1 1 d . . .
O2 O 0.3611(2) 0.0626(2) 0.30850(16) 0.0304(7) Uani 1 1 d . . .
O3 O 0.4179(2) 0.00907(19) 0.47038(15) 0.0211(6) Uani 1 1 d . . .
O4 O 0.0693(2) -0.0720(2) 0.58600(17) 0.0317(7) Uani 1 1 d . . .
O5 O 0.5172(2) 0.1226(2) 0.28085(16) 0.0309(7) Uani 1 1 d . . .
Sn1 Sn 0.27773(2) -0.00040(2) 0.449841(16) 0.02204(8) Uani 1 1 d . . .
Sn2 Sn 0.56856(2) 0.05817(2) 0.400583(16) 0.01813(8) Uani 1 1 d . . .


_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
C1 O4 1.203(5) . ?
C1 O1 1.297(5) . ?
C1 C2 1.529(5) . ?
C2 C7 1.381(6) . ?
C2 C3 1.389(5) . ?
C3 C4 1.384(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(5) . ?
C5 C8 1.511(5) . ?
C6 C7 1.383(5) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 N2 1.462(5) . ?
C8 N1 1.467(5) . ?
C8 H8 1.0000 . ?
C9 N2 1.472(5) . ?
C9 C10 1.516(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 N1 1.477(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 N1 1.453(5) . ?
C11 C12 1.513(5) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 N3 1.335(5) . ?
C12 C13 1.388(6) . ?
C13 C14 1.392(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.384(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.368(7) . ?
C15 H15 0.9500 . ?
C16 N3 1.342(5) . ?
C16 H16 0.9500 . ?
C17 N2 1.452(5) . ?
C17 C18 1.504(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 N4 1.345(5) . ?
C18 C19 1.379(6) . ?
C19 C20 1.374(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.386(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.377(7) . ?
C21 H21 0.9500 . ?
C22 N4 1.339(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.507(7) . ?
C23 Sn1 2.133(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.510(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.427(10) . ?
C25 C26S 1.491(14) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9896 . ?
C25 H25C 0.9900 . ?
C25 H25D 0.9900 . ?
C26S H26D 0.9800 . ?
C26S H26E 0.9800 . ?
C26S H26F 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.513(6) . ?
C27 Sn1 2.129(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.520(6) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.522(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 O5 1.230(5) . ?
C31 O2 1.264(5) . ?
C31 C32 1.510(5) . ?
C32 C33 1.387(5) . ?
C32 C37 1.395(5) . ?
C33 C34 1.392(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.385(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.391(5) . ?
C35 C38 1.511(5) . ?
C36 C37 1.375(5) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 N6 1.470(5) . ?
C38 N5 1.476(5) . ?
C38 H38 1.0000 . ?
C39 N6 1.466(5) . ?
C39 C40 1.522(6) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 N5 1.473(5) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 N5 1.464(5) . ?
C41 C42 1.506(6) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 N7 1.334(6) . ?
C42 C43 1.356(7) . ?
C43 C44 1.388(7) . ?
C43 H43 0.9500 . ?
C44 C45 1.378(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.326(8) . ?
C45 H45 0.9500 . ?
C46 N7 1.349(7) . ?
C46 H46 0.9500 . ?
C47 N6 1.460(5) . ?
C47 C48 1.499(6) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 N8 1.351(6) . ?
C48 C49 1.374(7) . ?
C49 C50 1.391(7) . ?
C49 H49 0.9500 . ?
C50 C51 1.371(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.351(8) . ?
C51 H51 0.9500 . ?
C52 N8 1.342(6) . ?
C52 H52 0.9500 . ?
C53 C54 1.502(6) . ?
C53 Sn2 2.138(4) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.523(6) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.519(7) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.517(6) . ?
C57 Sn2 2.120(4) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.528(6) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.520(7) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
O1 Sn1 2.204(2) . ?
O2 Sn1 2.238(3) . ?
O3 Sn1 2.034(3) . ?
O3 Sn2 2.038(3) . ?
O3 Sn2 2.155(2) 2_656 ?
O5 Sn2 2.229(3) . ?
Sn2 O3 2.155(2) 2_656 ?
Sn2 Sn2 3.2706(6) 2_656 ?

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
O4 C1 O1 124.8(3) . . ?
O4 C1 C2 119.9(4) . . ?
O1 C1 C2 115.3(3) . . ?
C7 C2 C3 118.7(4) . . ?
C7 C2 C1 118.4(3) . . ?
C3 C2 C1 122.9(4) . . ?
C4 C3 C2 120.5(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C5 C4 C3 120.7(4) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 119.0(3) . . ?
C4 C5 C8 120.5(3) . . ?
C6 C5 C8 120.2(3) . . ?
C7 C6 C5 120.1(4) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C2 C7 C6 121.0(4) . . ?
C2 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
N2 C8 N1 101.4(3) . . ?
N2 C8 C5 113.6(3) . . ?
N1 C8 C5 111.4(3) . . ?
N2 C8 H8 110.0 . . ?
N1 C8 H8 110.0 . . ?
C5 C8 H8 110.0 . . ?
N2 C9 C10 105.5(3) . . ?
N2 C9 H9A 110.6 . . ?
C10 C9 H9A 110.6 . . ?
N2 C9 H9B 110.6 . . ?
C10 C9 H9B 110.6 . . ?
H9A C9 H9B 108.8 . . ?
N1 C10 C9 103.7(3) . . ?
N1 C10 H10A 111.0 . . ?
C9 C10 H10A 111.0 . . ?
N1 C10 H10B 111.0 . . ?
C9 C10 H10B 111.0 . . ?
H10A C10 H10B 109.0 . . ?
N1 C11 C12 112.2(3) . . ?
N1 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
N1 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
N3 C12 C13 123.5(4) . . ?
N3 C12 C11 114.4(4) . . ?
C13 C12 C11 122.1(4) . . ?
C12 C13 C14 118.4(4) . . ?
C12 C13 H13 120.8 . . ?
C14 C13 H13 120.8 . . ?
C15 C14 C13 118.4(5) . . ?
C15 C14 H14 120.8 . . ?
C13 C14 H14 120.8 . . ?
C16 C15 C14 118.8(4) . . ?
C16 C15 H15 120.6 . . ?
C14 C15 H15 120.6 . . ?
N3 C16 C15 124.1(4) . . ?
N3 C16 H16 118.0 . . ?
C15 C16 H16 118.0 . . ?
N2 C17 C18 111.8(3) . . ?
N2 C17 H17A 109.2 . . ?
C18 C17 H17A 109.2 . . ?
N2 C17 H17B 109.2 . . ?
C18 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
N4 C18 C19 122.2(4) . . ?
N4 C18 C17 115.5(4) . . ?
C19 C18 C17 122.3(4) . . ?
C20 C19 C18 119.9(4) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 118.6(5) . . ?
C19 C20 H20 120.7 . . ?
C21 C20 H20 120.7 . . ?
C22 C21 C20 118.1(4) . . ?
C22 C21 H21 120.9 . . ?
C20 C21 H21 120.9 . . ?
N4 C22 C21 124.0(4) . . ?
N4 C22 H22 118.0 . . ?
C21 C22 H22 118.0 . . ?
C24 C23 Sn1 118.9(3) . . ?
C24 C23 H23A 107.6 . . ?
Sn1 C23 H23A 107.6 . . ?
C24 C23 H23B 107.6 . . ?
Sn1 C23 H23B 107.6 . . ?
H23A C23 H23B 107.0 . . ?
C23 C24 C25 113.2(5) . . ?
C23 C24 H24A 109.0 . . ?
C25 C24 H24A 108.3 . . ?
C23 C24 H24B 109.0 . . ?
C25 C24 H24B 109.4 . . ?
H24A C24 H24B 107.8 . . ?
C26 C25 C26S 62.0(10) . . ?
C26 C25 C24 114.5(7) . . ?
C26S C25 C24 117.8(10) . . ?
C26 C25 H25A 108.9 . . ?
C24 C25 H25A 109.0 . . ?
C26 C25 H25B 108.5 . . ?
C24 C25 H25B 108.2 . . ?
H25A C25 H25B 107.6 . . ?
C26S C25 H25C 108.0 . . ?
C24 C25 H25C 108.5 . . ?
C26S C25 H25D 107.2 . . ?
C24 C25 H25D 107.6 . . ?
H25C C25 H25D 107.2 . . ?
C25 C26S H26D 110.1 . . ?
C25 C26S H26E 111.2 . . ?
H26D C26S H26E 109.5 . . ?
C25 C26S H26F 107.1 . . ?
H26D C26S H26F 109.5 . . ?
H26E C26S H26F 109.5 . . ?
H26D C26S H26B 109.8 . . ?
C25 C26 H26A 109.1 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.8 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 Sn1 119.3(3) . . ?
C28 C27 H27A 107.5 . . ?
Sn1 C27 H27A 107.5 . . ?
C28 C27 H27B 107.5 . . ?
Sn1 C27 H27B 107.5 . . ?
H27A C27 H27B 107.0 . . ?
C27 C28 C29 111.4(4) . . ?
C27 C28 H28A 109.4 . . ?
C29 C28 H28A 109.4 . . ?
C27 C28 H28B 109.4 . . ?
C29 C28 H28B 109.4 . . ?
H28A C28 H28B 108.0 . . ?
C28 C29 C30 113.8(4) . . ?
C28 C29 H29A 108.8 . . ?
C30 C29 H29A 108.8 . . ?
C28 C29 H29B 108.8 . . ?
C30 C29 H29B 108.8 . . ?
H29A C29 H29B 107.7 . . ?
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 . . ?
O5 C31 O2 126.9(3) . . ?
O5 C31 C32 116.9(4) . . ?
O2 C31 C32 116.2(3) . . ?
C33 C32 C37 120.0(3) . . ?
C33 C32 C31 120.6(3) . . ?
C37 C32 C31 119.3(3) . . ?
C32 C33 C34 119.3(4) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C35 C34 C33 120.5(3) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C34 C35 C36 119.7(3) . . ?
C34 C35 C38 120.6(3) . . ?
C36 C35 C38 119.7(4) . . ?
C37 C36 C35 120.1(4) . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C37 C32 120.3(4) . . ?
C36 C37 H37 119.9 . . ?
C32 C37 H37 119.9 . . ?
N6 C38 N5 102.7(3) . . ?
N6 C38 C35 113.1(3) . . ?
N5 C38 C35 110.9(3) . . ?
N6 C38 H38 110.0 . . ?
N5 C38 H38 110.0 . . ?
C35 C38 H38 110.0 . . ?
N6 C39 C40 103.9(3) . . ?
N6 C39 H39A 111.0 . . ?
C40 C39 H39A 111.0 . . ?
N6 C39 H39B 111.0 . . ?
C40 C39 H39B 111.0 . . ?
H39A C39 H39B 109.0 . . ?
N5 C40 C39 105.0(3) . . ?
N5 C40 H40A 110.7 . . ?
C39 C40 H40A 110.7 . . ?
N5 C40 H40B 110.7 . . ?
C39 C40 H40B 110.7 . . ?
H40A C40 H40B 108.8 . . ?
N5 C41 C42 114.2(4) . . ?
N5 C41 H41A 108.7 . . ?
C42 C41 H41A 108.7 . . ?
N5 C41 H41B 108.7 . . ?
C42 C41 H41B 108.7 . . ?
H41A C41 H41B 107.6 . . ?
N7 C42 C43 122.5(4) . . ?
N7 C42 C41 114.9(4) . . ?
C43 C42 C41 122.5(4) . . ?
C42 C43 C44 119.4(5) . . ?
C42 C43 H43 120.3 . . ?
C44 C43 H43 120.3 . . ?
C45 C44 C43 118.1(5) . . ?
C45 C44 H44 121.0 . . ?
C43 C44 H44 121.0 . . ?
C46 C45 C44 118.9(5) . . ?
C46 C45 H45 120.6 . . ?
C44 C45 H45 120.6 . . ?
C45 C46 N7 124.3(5) . . ?
C45 C46 H46 117.8 . . ?
N7 C46 H46 117.8 . . ?
N6 C47 C48 111.9(4) . . ?
N6 C47 H47A 109.2 . . ?
C48 C47 H47A 109.2 . . ?
N6 C47 H47B 109.2 . . ?
C48 C47 H47B 109.2 . . ?
H47A C47 H47B 107.9 . . ?
N8 C48 C49 121.2(4) . . ?
N8 C48 C47 114.8(4) . . ?
C49 C48 C47 124.0(4) . . ?
C48 C49 C50 119.7(5) . . ?
C48 C49 H49 120.2 . . ?
C50 C49 H49 120.2 . . ?
C51 C50 C49 118.7(5) . . ?
C51 C50 H50 120.6 . . ?
C49 C50 H50 120.6 . . ?
C52 C51 C50 118.6(5) . . ?
C52 C51 H51 120.7 . . ?
C50 C51 H51 120.7 . . ?
N8 C52 C51 124.2(5) . . ?
N8 C52 H52 117.9 . . ?
C51 C52 H52 117.9 . . ?
C54 C53 Sn2 117.7(3) . . ?
C54 C53 H53A 107.9 . . ?
Sn2 C53 H53A 107.9 . . ?
C54 C53 H53B 107.9 . . ?
Sn2 C53 H53B 107.9 . . ?
H53A C53 H53B 107.2 . . ?
C53 C54 C55 112.4(4) . . ?
C53 C54 H54A 109.1 . . ?
C55 C54 H54A 109.1 . . ?
C53 C54 H54B 109.1 . . ?
C55 C54 H54B 109.1 . . ?
H54A C54 H54B 107.9 . . ?
C56 C55 C54 113.3(4) . . ?
C56 C55 H55A 108.9 . . ?
C54 C55 H55A 108.9 . . ?
C56 C55 H55B 108.9 . . ?
C54 C55 H55B 108.9 . . ?
H55A C55 H55B 107.7 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 Sn2 115.1(3) . . ?
C58 C57 H57A 108.5 . . ?
Sn2 C57 H57A 108.5 . . ?
C58 C57 H57B 108.5 . . ?
Sn2 C57 H57B 108.5 . . ?
H57A C57 H57B 107.5 . . ?
C57 C58 C59 113.1(4) . . ?
C57 C58 H58A 109.0 . . ?
C59 C58 H58A 109.0 . . ?
C57 C58 H58B 109.0 . . ?
C59 C58 H58B 109.0 . . ?
H58A C58 H58B 107.8 . . ?
C60 C59 C58 112.7(5) . . ?
C60 C59 H59A 109.0 . . ?
C58 C59 H59A 109.0 . . ?
C60 C59 H59B 109.0 . . ?
C58 C59 H59B 109.0 . . ?
H59A C59 H59B 107.8 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C11 N1 C8 112.3(3) . . ?
C11 N1 C10 114.1(3) . . ?
C8 N1 C10 103.2(3) . . ?
C17 N2 C8 114.6(3) . . ?
C17 N2 C9 113.6(3) . . ?
C8 N2 C9 104.9(3) . . ?
C12 N3 C16 116.8(4) . . ?
C22 N4 C18 117.2(4) . . ?
C41 N5 C40 114.2(3) . . ?
C41 N5 C38 108.8(3) . . ?
C40 N5 C38 106.0(3) . . ?
C47 N6 C39 112.1(3) . . ?
C47 N6 C38 110.8(3) . . ?
C39 N6 C38 102.3(3) . . ?
C42 N7 C46 116.9(5) . . ?
C52 N8 C48 117.7(5) . . ?
C1 O1 Sn1 112.0(2) . . ?
C31 O2 Sn1 137.9(2) . . ?
Sn1 O3 Sn2 138.73(12) . . ?
Sn1 O3 Sn2 118.55(12) . 2_656 ?
Sn2 O3 Sn2 102.51(11) . 2_656 ?
C31 O5 Sn2 133.3(3) . . ?
O3 Sn1 C27 111.95(15) . . ?
O3 Sn1 C23 111.43(14) . . ?
C27 Sn1 C23 136.34(18) . . ?
O3 Sn1 O1 79.04(10) . . ?
C27 Sn1 O1 95.74(13) . . ?
C23 Sn1 O1 96.99(14) . . ?
O3 Sn1 O2 88.04(10) . . ?
C27 Sn1 O2 92.55(13) . . ?
C23 Sn1 O2 84.15(14) . . ?
O1 Sn1 O2 166.55(9) . . ?
O3 Sn2 C57 107.21(13) . . ?
O3 Sn2 C53 106.92(14) . . ?
C57 Sn2 C53 145.72(16) . . ?
O3 Sn2 O3 77.49(11) . 2_656 ?
C57 Sn2 O3 95.24(13) . 2_656 ?
C53 Sn2 O3 95.18(14) . 2_656 ?
O3 Sn2 O5 90.52(10) . . ?
C57 Sn2 O5 86.33(14) . . ?
C53 Sn2 O5 90.17(14) . . ?
O3 Sn2 O5 167.85(10) 2_656 . ?
O3 Sn2 Sn2 40.03(7) . 2_656 ?
C57 Sn2 Sn2 104.15(11) . 2_656 ?
C53 Sn2 Sn2 103.93(12) . 2_656 ?
O3 Sn2 Sn2 37.46(7) 2_656 2_656 ?
O5 Sn2 Sn2 130.52(8) . 2_656 ?

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
O4 C1 C2 C7 14.7(6) . . . . ?
O1 C1 C2 C7 -162.9(3) . . . . ?
O4 C1 C2 C3 -163.9(4) . . . . ?
O1 C1 C2 C3 18.5(5) . . . . ?
C7 C2 C3 C4 -1.7(6) . . . . ?
C1 C2 C3 C4 177.0(4) . . . . ?
C2 C3 C4 C5 1.7(6) . . . . ?
C3 C4 C5 C6 -0.2(6) . . . . ?
C3 C4 C5 C8 -173.8(3) . . . . ?
C4 C5 C6 C7 -1.2(6) . . . . ?
C8 C5 C6 C7 172.4(3) . . . . ?
C3 C2 C7 C6 0.3(6) . . . . ?
C1 C2 C7 C6 -178.4(3) . . . . ?
C5 C6 C7 C2 1.2(6) . . . . ?
C4 C5 C8 N2 -47.4(5) . . . . ?
C6 C5 C8 N2 139.1(4) . . . . ?
C4 C5 C8 N1 66.4(4) . . . . ?
C6 C5 C8 N1 -107.1(4) . . . . ?
N2 C9 C10 N1 -8.2(5) . . . . ?
N1 C11 C12 N3 -153.3(4) . . . . ?
N1 C11 C12 C13 26.2(6) . . . . ?
N3 C12 C13 C14 -2.3(7) . . . . ?
C11 C12 C13 C14 178.1(4) . . . . ?
C12 C13 C14 C15 0.7(7) . . . . ?
C13 C14 C15 C16 0.8(7) . . . . ?
C14 C15 C16 N3 -1.0(7) . . . . ?
N2 C17 C18 N4 163.1(3) . . . . ?
N2 C17 C18 C19 -17.7(5) . . . . ?
N4 C18 C19 C20 -1.2(7) . . . . ?
C17 C18 C19 C20 179.6(4) . . . . ?
C18 C19 C20 C21 0.4(8) . . . . ?
C19 C20 C21 C22 1.2(8) . . . . ?
C20 C21 C22 N4 -2.2(8) . . . . ?
Sn1 C23 C24 C25 178.7(5) . . . . ?
C23 C24 C25 C26 75.7(8) . . . . ?
C23 C24 C25 C26S 145.6(12) . . . . ?
Sn1 C27 C28 C29 179.0(3) . . . . ?
C27 C28 C29 C30 -178.0(4) . . . . ?
O5 C31 C32 C33 167.0(4) . . . . ?
O2 C31 C32 C33 -13.1(5) . . . . ?
O5 C31 C32 C37 -9.5(5) . . . . ?
O2 C31 C32 C37 170.4(3) . . . . ?
C37 C32 C33 C34 2.3(5) . . . . ?
C31 C32 C33 C34 -174.3(3) . . . . ?
C32 C33 C34 C35 -2.2(5) . . . . ?
C33 C34 C35 C36 0.8(5) . . . . ?
C33 C34 C35 C38 -178.4(3) . . . . ?
C34 C35 C36 C37 0.5(6) . . . . ?
C38 C35 C36 C37 179.7(3) . . . . ?
C35 C36 C37 C32 -0.4(6) . . . . ?
C33 C32 C37 C36 -1.0(5) . . . . ?
C31 C32 C37 C36 175.6(3) . . . . ?
C34 C35 C38 N6 -132.9(4) . . . . ?
C36 C35 C38 N6 47.8(5) . . . . ?
C34 C35 C38 N5 112.3(4) . . . . ?
C36 C35 C38 N5 -66.9(4) . . . . ?
N6 C39 C40 N5 -18.5(5) . . . . ?
N5 C41 C42 N7 135.6(4) . . . . ?
N5 C41 C42 C43 -48.0(6) . . . . ?
N7 C42 C43 C44 1.1(8) . . . . ?
C41 C42 C43 C44 -175.0(4) . . . . ?
C42 C43 C44 C45 0.1(8) . . . . ?
C43 C44 C45 C46 -1.4(8) . . . . ?
C44 C45 C46 N7 1.6(10) . . . . ?
N6 C47 C48 N8 -132.6(4) . . . . ?
N6 C47 C48 C49 45.9(6) . . . . ?
N8 C48 C49 C50 1.2(9) . . . . ?
C47 C48 C49 C50 -177.2(5) . . . . ?
C48 C49 C50 C51 -1.8(10) . . . . ?
C49 C50 C51 C52 1.1(10) . . . . ?
C50 C51 C52 N8 0.1(10) . . . . ?
Sn2 C53 C54 C55 -175.7(3) . . . . ?
C53 C54 C55 C56 -178.7(4) . . . . ?
Sn2 C57 C58 C59 169.8(3) . . . . ?
C57 C58 C59 C60 -179.3(4) . . . . ?
C12 C11 N1 C8 -176.4(3) . . . . ?
C12 C11 N1 C10 66.6(5) . . . . ?
N2 C8 N1 C11 -169.5(3) . . . . ?
C5 C8 N1 C11 69.3(4) . . . . ?
N2 C8 N1 C10 -46.2(4) . . . . ?
C5 C8 N1 C10 -167.4(3) . . . . ?
C9 C10 N1 C11 155.4(4) . . . . ?
C9 C10 N1 C8 33.4(4) . . . . ?
C18 C17 N2 C8 165.9(3) . . . . ?
C18 C17 N2 C9 -73.6(4) . . . . ?
N1 C8 N2 C17 166.2(3) . . . . ?
C5 C8 N2 C17 -74.2(4) . . . . ?
N1 C8 N2 C9 40.9(4) . . . . ?
C5 C8 N2 C9 160.6(3) . . . . ?
C10 C9 N2 C17 -146.1(4) . . . . ?
C10 C9 N2 C8 -20.2(5) . . . . ?
C13 C12 N3 C16 2.2(6) . . . . ?
C11 C12 N3 C16 -178.2(4) . . . . ?
C15 C16 N3 C12 -0.5(7) . . . . ?
C21 C22 N4 C18 1.4(7) . . . . ?
C19 C18 N4 C22 0.3(6) . . . . ?
C17 C18 N4 C22 179.5(4) . . . . ?
C42 C41 N5 C40 -62.9(5) . . . . ?
C42 C41 N5 C38 178.9(3) . . . . ?
C39 C40 N5 C41 -129.0(4) . . . . ?
C39 C40 N5 C38 -9.2(5) . . . . ?
N6 C38 N5 C41 156.7(3) . . . . ?
C35 C38 N5 C41 -82.2(4) . . . . ?
N6 C38 N5 C40 33.4(4) . . . . ?
C35 C38 N5 C40 154.5(4) . . . . ?
C48 C47 N6 C39 64.1(5) . . . . ?
C48 C47 N6 C38 177.6(3) . . . . ?
C40 C39 N6 C47 157.8(4) . . . . ?
C40 C39 N6 C38 39.1(4) . . . . ?
N5 C38 N6 C47 -164.6(3) . . . . ?
C35 C38 N6 C47 75.8(4) . . . . ?
N5 C38 N6 C39 -45.0(4) . . . . ?
C35 C38 N6 C39 -164.6(3) . . . . ?
C43 C42 N7 C46 -1.0(8) . . . . ?
C41 C42 N7 C46 175.4(5) . . . . ?
C45 C46 N7 C42 -0.4(9) . . . . ?
C51 C52 N8 C48 -0.7(9) . . . . ?
C49 C48 N8 C52 0.0(8) . . . . ?
C47 C48 N8 C52 178.6(5) . . . . ?
O4 C1 O1 Sn1 -5.8(5) . . . . ?
C2 C1 O1 Sn1 171.7(2) . . . . ?
O5 C31 O2 Sn1 4.8(7) . . . . ?
C32 C31 O2 Sn1 -175.0(3) . . . . ?
O2 C31 O5 Sn2 21.1(6) . . . . ?
C32 C31 O5 Sn2 -159.0(3) . . . . ?
Sn2 O3 Sn1 C27 -89.0(2) . . . . ?
Sn2 O3 Sn1 C27 97.42(17) 2_656 . . . ?
Sn2 O3 Sn1 C23 85.9(2) . . . . ?
Sn2 O3 Sn1 C23 -87.68(18) 2_656 . . . ?
Sn2 O3 Sn1 O1 179.1(2) . . . . ?
Sn2 O3 Sn1 O1 5.59(13) 2_656 . . . ?
Sn2 O3 Sn1 O2 2.9(2) . . . . ?
Sn2 O3 Sn1 O2 -170.62(15) 2_656 . . . ?
C28 C27 Sn1 O3 80.6(4) . . . . ?
C28 C27 Sn1 C23 -92.5(4) . . . . ?
C28 C27 Sn1 O1 161.1(3) . . . . ?
C28 C27 Sn1 O2 -8.3(3) . . . . ?
C24 C23 Sn1 O3 109.6(4) . . . . ?
C24 C23 Sn1 C27 -77.2(5) . . . . ?
C24 C23 Sn1 O1 28.7(4) . . . . ?
C24 C23 Sn1 O2 -164.8(4) . . . . ?
C1 O1 Sn1 O3 176.6(3) . . . . ?
C1 O1 Sn1 C27 65.3(3) . . . . ?
C1 O1 Sn1 C23 -72.8(3) . . . . ?
C1 O1 Sn1 O2 -166.9(4) . . . . ?
C31 O2 Sn1 O3 -15.0(4) . . . . ?
C31 O2 Sn1 C27 96.9(4) . . . . ?
C31 O2 Sn1 C23 -126.8(4) . . . . ?
C31 O2 Sn1 O1 -31.2(7) . . . . ?
Sn1 O3 Sn2 C57 94.1(2) . . . . ?
Sn2 O3 Sn2 C57 -91.68(15) 2_656 . . . ?
Sn1 O3 Sn2 C53 -82.5(2) . . . . ?
Sn2 O3 Sn2 C53 91.67(15) 2_656 . . . ?
Sn1 O3 Sn2 O3 -174.2(3) . . . 2_656 ?
Sn2 O3 Sn2 O3 0.0 2_656 . . 2_656 ?
Sn1 O3 Sn2 O5 7.8(2) . . . . ?
Sn2 O3 Sn2 O5 -178.00(12) 2_656 . . . ?
Sn1 O3 Sn2 Sn2 -174.2(3) . . . 2_656 ?
C58 C57 Sn2 O3 -30.6(3) . . . . ?
C58 C57 Sn2 C53 143.7(3) . . . . ?
C58 C57 Sn2 O3 -109.1(3) . . . 2_656 ?
C58 C57 Sn2 O5 58.8(3) . . . . ?
C58 C57 Sn2 Sn2 -72.2(3) . . . 2_656 ?
C54 C53 Sn2 O3 24.9(4) . . . . ?
C54 C53 Sn2 C57 -149.4(3) . . . . ?
C54 C53 Sn2 O3 103.4(3) . . . 2_656 ?
C54 C53 Sn2 O5 -65.7(3) . . . . ?
C54 C53 Sn2 Sn2 66.4(3) . . . 2_656 ?
C31 O5 Sn2 O3 -23.9(4) . . . . ?
C31 O5 Sn2 C57 -131.2(4) . . . . ?
C31 O5 Sn2 C53 83.0(4) . . . . ?
C31 O5 Sn2 O3 -33.3(8) . . . 2_656 ?
C31 O5 Sn2 Sn2 -25.6(4) . . . 2_656 ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.196
_refine_diff_density_min         -0.852
_refine_diff_density_rms         0.091

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.500 0.500 249.5 3.4
2 0.500 0.500 0.500 52.9 0.5
_platon_squeeze_details          
; ?
;
