# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_mayr219
_database_code_depnum_ccdc_archive 'CCDC 1838234'
_audit_update_record             
;
2018-04-18 deposited with the CCDC.
2018-07-02 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         ?
_chemical_formula_sum            'C60 H151 Na O28 Sn12'
_chemical_formula_weight         2768.07

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           57
_space_group_name_H-M_alt        'P b c m'
_space_group_name_Hall           '-P 2c 2b'

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

_cell_length_a                   16.1584(6)
_cell_length_b                   24.8434(11)
_cell_length_c                   23.5910(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9470.1(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    6928
_cell_measurement_theta_min      3.26
_cell_measurement_theta_max      53.12

_exptl_crystal_description       cut-block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.941
_exptl_crystal_F_000             5384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    25.273
_shelx_estimated_absorpt_T_min   0.116
_shelx_estimated_absorpt_T_max   0.431
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4472
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Incoatec I\mS'
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34416
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_av_R_equivalents  0.0680
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.735
_diffrn_reflns_theta_max         53.947
_diffrn_reflns_theta_full        53.947
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             5787
_reflns_number_gt                3780
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0788P)²+164.3586P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5787
_refine_ls_number_parameters     542
_refine_ls_number_restraints     803
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.0720
_refine_ls_wR_factor_ref         0.2131
_refine_ls_wR_factor_gt          0.1765
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.002
_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 0.46414(11) 1.00731(9) 0.2500 0.1008(7) Uani 1 2 d DS TU P B .
Sn2 Sn 0.62612(8) 1.06103(6) 0.17936(7) 0.0970(5) Uani 1 1 d . U . . .
Sn3 Sn 0.83082(10) 1.02557(7) 0.2500 0.0782(5) Uani 1 2 d S TU P . .
Sn4 Sn 0.85348(8) 0.91000(6) 0.17883(7) 0.0949(5) Uani 1 1 d . U . . .
Sn5 Sn 0.49176(9) 0.87310(7) 0.16715(7) 0.1039(6) Uani 1 1 d . U . . .
Sn6 Sn 0.65348(9) 0.92631(7) 0.09574(6) 0.1067(6) Uani 1 1 d . U . . .
Sn7 Sn 0.67660(10) 0.81010(6) 0.16550(8) 0.1163(6) Uani 1 1 d . U . . .
Na1 Na 0.6577(5) 0.9324(3) 0.2500 0.065(2) Uani 1 2 d S TU P B .
O1 O 0.5929(10) 1.0154(7) 0.2500 0.082(3) Uani 1 2 d S TU P . .
O2 O 0.8008(9) 0.9444(6) 0.2500 0.071(3) Uani 1 2 d S TU P B .
O3 O 0.6199(7) 0.8853(5) 0.1688(5) 0.085(3) Uani 1 1 d . U . . .
O4 O 0.4934(8) 1.0676(6) 0.1881(7) 0.117(4) Uani 1 1 d . U . . .
O5 O 0.4735(8) 0.9540(6) 0.1849(6) 0.103(3) Uani 1 1 d . U . . .
O6 O 0.6452(12) 1.1132(9) 0.2500 0.115(5) Uani 1 2 d DS TU P . .
O7 O 0.7444(7) 1.0343(5) 0.1870(5) 0.087(3) Uani 1 1 d . U . . .
O8 O 0.5973(8) 0.9946(6) 0.1292(5) 0.096(3) Uani 1 1 d . U . . .
O9 O 0.9290(11) 0.8856(8) 0.2500 0.104(4) Uani 1 2 d DS TU P B .
O10 O 0.9080(7) 0.9897(5) 0.1880(6) 0.093(3) Uani 1 1 d . U . . .
O11 O 0.7621(7) 0.9474(5) 0.1328(5) 0.089(3) Uani 1 1 d . U . . .
O12 O 0.7833(8) 0.8424(5) 0.1960(6) 0.104(3) Uani 1 1 d . U . . .
O13 O 0.5287(9) 0.8982(7) 0.0837(7) 0.122(4) Uani 1 1 d . U . . .
O14 O 0.5482(9) 0.7983(7) 0.1456(8) 0.129(4) Uani 1 1 d . U . . .
O15 O 0.6978(9) 0.8478(7) 0.0848(7) 0.128(4) Uani 1 1 d . U . . .
O16 O 0.4965(11) 0.8464(8) 0.2500 0.102(5) Uani 1 2 d S TU P B .
O17 O 0.6393(12) 0.7950(8) 0.2500 0.117(5) Uani 1 2 d S TU P B .
C1 C 0.3333(18) 1.0257(14) 0.2500 0.139(10) Uani 1 2 d DS TU P . .
H1A H 0.3227(17) 1.042(2) 0.214(2) 0.166 Uiso 0.5 1 d D U P . .
C2 C 0.2794(17) 0.9767(15) 0.2500 0.24(3) Uani 1 2 d DS TU P A .
H2A H 0.283(5) 0.963(3) 0.2881(19) 0.285 Uiso 0.5 1 d D U P . .
C3 C 0.1881(19) 0.992(2) 0.245(6) 0.24(3) Uani 0.5 1 d D U P A -1
H3A H 0.1648 0.9954 0.2840 0.286 Uiso 0.5 1 calc R U P A -1
H3B H 0.1836 1.0275 0.2267 0.286 Uiso 0.5 1 calc R U P A -1
C4 C 0.137(3) 0.952(3) 0.212(4) 0.24(4) Uani 0.5 1 d D U P A -1
H4A H 0.0793 0.9637 0.2111 0.367 Uiso 0.5 1 calc R U P A -1
H4B H 0.1586 0.9485 0.1738 0.367 Uiso 0.5 1 calc R U P A -1
H4C H 0.1398 0.9164 0.2312 0.367 Uiso 0.5 1 calc R U P A -1
C5 C 0.6417(14) 1.1189(10) 0.1118(12) 0.132(7) Uani 1 1 d D U . . .
H5A H 0.6092 1.1065 0.0788 0.158 Uiso 1 1 calc R U . . .
H5B H 0.6175 1.1535 0.1244 0.158 Uiso 1 1 calc R U . . .
C6 C 0.7285(16) 1.1294(14) 0.0925(15) 0.203(15) Uani 1 1 d D U . . .
H6A H 0.7555 1.0948 0.0828 0.244 Uiso 1 1 calc R U . . .
H6B H 0.7603 1.1463 0.1236 0.244 Uiso 1 1 calc R U . . .
C7 C 0.729(2) 1.1662(16) 0.0409(16) 0.237(17) Uani 1 1 d D U . . .
H7A H 0.7161 1.1466 0.0055 0.285 Uiso 1 1 calc R U . . .
H7B H 0.6911 1.1971 0.0453 0.285 Uiso 1 1 calc R U . . .
C8 C 0.820(3) 1.183(2) 0.043(3) 0.37(4) Uani 1 1 d D U . . .
H8A H 0.8311 1.2082 0.0118 0.561 Uiso 1 1 calc R U . . .
H8B H 0.8305 1.2016 0.0792 0.561 Uiso 1 1 calc R U . . .
H8C H 0.8551 1.1517 0.0399 0.561 Uiso 1 1 calc R U . . .
C9 C 0.891(2) 1.1032(13) 0.2500 0.115(8) Uani 1 2 d DS TU P . .
C10 C 0.886(5) 1.1375(19) 0.1974(19) 0.20(3) Uani 0.5 1 d D U P . .
H10A H 0.8263 1.1427 0.1880 0.234 Uiso 0.5 1 calc R U P . .
H10B H 0.9112 1.1177 0.1655 0.234 Uiso 0.5 1 calc R U P . .
C11 C 0.927(3) 1.1928(18) 0.202(2) 0.157(18) Uani 0.5 1 d D U P . .
H11A H 0.8894 1.2187 0.2211 0.189 Uiso 0.5 1 calc R U P . .
H11B H 0.9789 1.1904 0.2237 0.189 Uiso 0.5 1 calc R U P . .
C12 C 0.943(7) 1.210(3) 0.141(3) 0.32(7) Uani 0.5 1 d D U P . .
H12A H 0.9698 1.2457 0.1415 0.482 Uiso 0.5 1 calc R U P . .
H12B H 0.9800 1.1841 0.1231 0.482 Uiso 0.5 1 calc R U P . .
H12C H 0.8910 1.2122 0.1206 0.482 Uiso 0.5 1 calc R U P . .
C13 C 0.9341(14) 0.8824(10) 0.1171(11) 0.127(5) Uani 0.5 1 d D U P B -1
H13A H 0.9510 0.9139 0.0943 0.152 Uiso 0.5 1 calc R U P B -1
H13B H 0.9844 0.8693 0.1369 0.152 Uiso 0.5 1 calc R U P B -1
C14 C 0.908(2) 0.8391(16) 0.0764(17) 0.116(13) Uani 0.5 1 d D U P B -1
H14A H 0.8563 0.8506 0.0580 0.139 Uiso 0.5 1 calc R U P B -1
H14B H 0.8959 0.8062 0.0985 0.139 Uiso 0.5 1 calc R U P B -1
C15 C 0.970(3) 0.824(2) 0.030(2) 0.16(2) Uani 0.5 1 d D U P B -1
H15A H 0.9681 0.8516 -0.0003 0.196 Uiso 0.5 1 calc R U P B -1
H15B H 1.0264 0.8234 0.0460 0.196 Uiso 0.5 1 calc R U P B -1
C16 C 0.949(4) 0.770(2) 0.005(4) 0.23(4) Uani 0.5 1 d D U P B -1
H16A H 0.9895 0.7609 -0.0244 0.340 Uiso 0.5 1 calc R U P B -1
H16B H 0.9517 0.7425 0.0353 0.340 Uiso 0.5 1 calc R U P B -1
H16C H 0.8935 0.7706 -0.0109 0.340 Uiso 0.5 1 calc R U P B -1
C13A C 0.9341(14) 0.8824(10) 0.1171(11) 0.127(5) Uani 0.5 1 d D U P B -2
H13C H 0.9905 0.8880 0.1324 0.152 Uiso 0.5 1 calc R U P B -2
H13D H 0.9259 0.8429 0.1152 0.152 Uiso 0.5 1 calc R U P B -2
C14A C 0.936(3) 0.9016(18) 0.0575(14) 0.126(12) Uani 0.5 1 d D U P B -2
H14C H 0.9420 0.9412 0.0561 0.152 Uiso 0.5 1 calc R U P B -2
H14D H 0.8850 0.8912 0.0373 0.152 Uiso 0.5 1 calc R U P B -2
C15A C 1.011(4) 0.875(3) 0.030(3) 0.19(3) Uani 0.5 1 d D U P B -2
H15C H 1.0636 0.8839 0.0499 0.232 Uiso 0.5 1 calc R U P B -2
H15D H 1.0053 0.8350 0.0282 0.232 Uiso 0.5 1 calc R U P B -2
C16A C 1.004(5) 0.901(3) -0.027(3) 0.24(4) Uani 0.5 1 d D U P B -2
H16D H 1.0487 0.8886 -0.0515 0.363 Uiso 0.5 1 calc R U P B -2
H16E H 0.9504 0.8920 -0.0438 0.363 Uiso 0.5 1 calc R U P B -2
H16F H 1.0080 0.9403 -0.0223 0.363 Uiso 0.5 1 calc R U P B -2
C17 C 0.3711(15) 0.8499(12) 0.1365(12) 0.146(7) Uani 1 1 d D U . . .
H17A H 0.3444 0.8823 0.1203 0.176 Uiso 1 1 calc R U . . .
H17B H 0.3791 0.8240 0.1052 0.176 Uiso 1 1 calc R U . . .
C18 C 0.3134(19) 0.8259(19) 0.1771(14) 0.26(2) Uani 1 1 d D U . . .
H18A H 0.3018 0.8530 0.2067 0.307 Uiso 1 1 calc R U . . .
H18B H 0.3419 0.7954 0.1957 0.307 Uiso 1 1 calc R U . . .
C19 C 0.230(2) 0.8051(17) 0.154(2) 0.27(2) Uani 1 1 d D U . . .
H19A H 0.2394 0.7739 0.1291 0.325 Uiso 1 1 calc R U . . .
H19B H 0.1950 0.7929 0.1865 0.325 Uiso 1 1 calc R U . . .
C20 C 0.185(3) 0.848(2) 0.122(4) 0.47(6) Uani 1 1 d D U . . .
H20A H 0.1324 0.8335 0.1086 0.698 Uiso 1 1 calc R U . . .
H20B H 0.1747 0.8785 0.1475 0.698 Uiso 1 1 calc R U . . .
H20C H 0.2190 0.8594 0.0903 0.698 Uiso 1 1 calc R U . . .
C21 C 0.6755(15) 0.9526(13) 0.0116(10) 0.149(7) Uani 1 1 d D U . . .
H21A H 0.6665 0.9215 -0.0139 0.179 Uiso 1 1 calc R U . . .
H21B H 0.6330 0.9798 0.0021 0.179 Uiso 1 1 calc R U . . .
C22 C 0.7590(17) 0.9763(17) -0.0023(13) 0.209(17) Uani 1 1 d D U . . .
H22A H 0.7686 1.0067 0.0240 0.250 Uiso 1 1 calc R U . . .
H22B H 0.8013 0.9487 0.0062 0.250 Uiso 1 1 calc R U . . .
C23 C 0.775(2) 0.997(2) -0.0615(14) 0.28(3) Uani 1 1 d D U . . .
H23A H 0.7433 1.0295 -0.0707 0.341 Uiso 1 1 calc R U . . .
H23B H 0.7660 0.9687 -0.0909 0.341 Uiso 1 1 calc R U . . .
C24 C 0.865(3) 1.007(4) -0.050(3) 0.56(8) Uani 1 1 d D U . . .
H24A H 0.8917 1.0217 -0.0839 0.837 Uiso 1 1 calc R U . . .
H24B H 0.8703 1.0336 -0.0189 0.837 Uiso 1 1 calc R U . . .
H24C H 0.8927 0.9737 -0.0387 0.837 Uiso 1 1 calc R U . . .
C25 C 0.7174(18) 0.7314(10) 0.1418(14) 0.160(8) Uani 1 1 d D U . . .
H25A H 0.6754 0.7054 0.1553 0.193 Uiso 1 1 calc R U . . .
H25B H 0.7175 0.7296 0.0999 0.193 Uiso 1 1 calc R U . . .
C26 C 0.799(2) 0.7123(12) 0.1617(18) 0.221(17) Uani 1 1 d D U . . .
H26A H 0.8026 0.7153 0.2035 0.265 Uiso 1 1 calc R U . . .
H26B H 0.8436 0.7349 0.1452 0.265 Uiso 1 1 calc R U . . .
C27 C 0.812(3) 0.6530(13) 0.144(2) 0.245(19) Uani 1 1 d D U . . .
H27A H 0.7782 0.6280 0.1668 0.294 Uiso 1 1 calc R U . . .
H27B H 0.8006 0.6474 0.1030 0.294 Uiso 1 1 calc R U . . .
C28 C 0.902(3) 0.648(2) 0.157(4) 0.48(6) Uani 1 1 d D U . . .
H28A H 0.9215 0.6120 0.1480 0.726 Uiso 1 1 calc R U . . .
H28B H 0.9333 0.6747 0.1346 0.726 Uiso 1 1 calc R U . . .
H28C H 0.9112 0.6555 0.1975 0.726 Uiso 1 1 calc R U . . .
C29 C 0.4397(16) 1.0839(14) 0.1420(14) 0.187(13) Uani 1 1 d . U . . .
H29A H 0.4670 1.1120 0.1196 0.281 Uiso 1 1 calc R U . . .
H29B H 0.4280 1.0528 0.1177 0.281 Uiso 1 1 calc R U . . .
H29C H 0.3877 1.0979 0.1574 0.281 Uiso 1 1 calc R U . . .
C30 C 0.637(3) 1.1724(17) 0.2500 0.181(18) Uani 1 2 d DS TU P . .
H30A H 0.668(6) 1.1888(19) 0.280(4) 0.271 Uiso 1 1 d D U . . .
H30C H 0.580(4) 1.184(2) 0.2500 0.271 Uiso 1 2 d DS U P . .
C31 C 0.974(2) 0.8339(14) 0.2500 0.146(12) Uani 1 2 d DS TU P . .
H31A H 1.014(5) 0.832(2) 0.219(4) 0.220 Uiso 1 1 d D U . . .
H31C H 0.938(4) 0.8032(11) 0.2500 0.220 Uiso 1 2 d DS U P . .
C32 C 0.949(3) 1.0161(12) 0.1475(15) 0.232(19) Uani 1 1 d . U . . .
H32A H 0.9801 0.9903 0.1243 0.348 Uiso 1 1 calc R U . . .
H32B H 0.9095 1.0355 0.1235 0.348 Uiso 1 1 calc R U . . .
H32C H 0.9873 1.0417 0.1649 0.348 Uiso 1 1 calc R U . . .
C33 C 0.4727(18) 0.9258(15) 0.0452(15) 0.217(15) Uani 1 1 d . U . . .
H33A H 0.4190 0.9075 0.0451 0.325 Uiso 1 1 calc R U . . .
H33B H 0.4655 0.9632 0.0577 0.325 Uiso 1 1 calc R U . . .
H33C H 0.4960 0.9254 0.0068 0.325 Uiso 1 1 calc R U . . .
C34 C 0.5110(18) 0.7479(14) 0.142(3) 0.32(3) Uani 1 1 d . U . . .
H34A H 0.4524 0.7522 0.1327 0.476 Uiso 1 1 calc R U . . .
H34B H 0.5385 0.7265 0.1129 0.476 Uiso 1 1 calc R U . . .
H34C H 0.5160 0.7296 0.1789 0.476 Uiso 1 1 calc R U . . .
C35 C 0.698(3) 0.8142(14) 0.0318(14) 0.243(18) Uani 1 1 d . U . . .
H35A H 0.7226 0.7791 0.0398 0.365 Uiso 1 1 calc R U . . .
H35B H 0.6406 0.8092 0.0187 0.365 Uiso 1 1 calc R U . . .
H35C H 0.7297 0.8325 0.0022 0.365 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 O5 2.033(14) 6_556 ?
Sn1 O5 2.033(14) . ?
Sn1 O1 2.090(16) . ?
Sn1 C1 2.16(3) . ?
Sn1 O4 2.145(15) . ?
Sn1 O4 2.145(15) 6_556 ?
Sn1 Na1 3.639(9) . ?
Sn2 O7 2.031(12) . ?
Sn2 O8 2.084(14) . ?
Sn2 O1 2.085(10) . ?
Sn2 O6 2.133(13) . ?
Sn2 O4 2.161(14) . ?
Sn2 C5 2.16(2) . ?
Sn2 Na1 3.640(8) . ?
Sn3 O7 2.051(12) . ?
Sn3 O7 2.051(12) 6_556 ?
Sn3 O2 2.075(15) . ?
Sn3 O10 2.119(13) 6_556 ?
Sn3 O10 2.119(13) . ?
Sn3 C9 2.16(3) . ?
Sn3 Na1 3.630(8) . ?
Sn4 O11 2.056(13) . ?
Sn4 O2 2.067(9) . ?
Sn4 O12 2.067(13) . ?
Sn4 C13A 2.07(2) . ?
Sn4 C13 2.07(2) . ?
Sn4 O9 2.162(12) . ?
Sn4 O10 2.178(13) . ?
Sn4 Na1 3.624(7) . ?
Sn5 O16 2.065(7) . ?
Sn5 O5 2.074(15) . ?
Sn5 O3 2.094(12) . ?
Sn5 C17 2.16(2) . ?
Sn5 O14 2.132(17) . ?
Sn5 O13 2.151(16) . ?
Sn5 Na1 3.631(7) . ?
Sn6 O11 2.030(12) . ?
Sn6 O15 2.094(17) . ?
Sn6 O3 2.075(12) . ?
Sn6 O8 2.079(14) . ?
Sn6 C21 2.12(2) . ?
Sn6 O13 2.153(14) . ?
Sn6 Na1 3.6430(15) . ?
Sn7 O12 2.033(13) . ?
Sn7 O3 2.082(13) . ?
Sn7 O17 2.116(7) . ?
Sn7 O14 2.147(15) . ?
Sn7 O15 2.148(17) . ?
Sn7 C25 2.14(2) . ?
Sn7 Na1 3.647(7) . ?
Na1 O3 2.326(12) 6_556 ?
Na1 O3 2.326(12) . ?
Na1 O1 2.314(19) . ?
Na1 O2 2.330(16) . ?
Na1 Sn4 3.624(7) 6_556 ?
Na1 Sn5 3.631(6) 6_556 ?
Na1 Sn2 3.640(8) 6_556 ?
O1 Sn2 2.085(10) 6_556 ?
O2 Sn4 2.067(9) 6_556 ?
O4 C29 1.45(3) . ?
O6 C30 1.48(4) . ?
O6 Sn2 2.133(13) 6_556 ?
O9 C31 1.48(4) . ?
O9 Sn4 2.162(12) 6_556 ?
O10 C32 1.33(3) . ?
O13 C33 1.45(3) . ?
O14 C34 1.39(3) . ?
O15 C35 1.50(3) . ?
O16 Sn5 2.065(7) 6_556 ?
O17 Sn7 2.116(7) 6_556 ?
C1 C2 1.50(2) . ?
C1 H1A 0.96(2) . ?
C2 C3 1.53(2) . ?
C2 H2A 0.96(2) . ?
C3 C4 1.51(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.497(18) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.522(19) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.52(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.51(2) 6_556 ?
C9 C10 1.51(2) . ?
C10 C11 1.53(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.52(2) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.500(19) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.52(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.51(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C13A C14A 1.49(2) . ?
C13A H13C 0.9900 . ?
C13A H13D 0.9900 . ?
C14A C15A 1.52(2) . ?
C14A H14C 0.9900 . ?
C14A H14D 0.9900 . ?
C15A C16A 1.51(2) . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C17 C18 1.462(19) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.544(19) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.48(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.508(18) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.505(19) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.51(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.483(19) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.544(19) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.49(2) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.96(2) . ?
C30 H30C 0.97(2) . ?
C31 H31A 0.97(2) . ?
C31 H31C 0.96(2) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 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
O5 Sn1 O5 98.1(8) 6_556 . ?
O5 Sn1 O1 89.4(5) 6_556 . ?
O5 Sn1 O1 89.4(5) . . ?
O5 Sn1 C1 102.1(7) 6_556 . ?
O5 Sn1 C1 102.1(7) . . ?
O1 Sn1 C1 162.3(10) . . ?
O5 Sn1 O4 162.3(5) 6_556 . ?
O5 Sn1 O4 85.7(6) . . ?
O1 Sn1 O4 73.3(5) . . ?
C1 Sn1 O4 93.9(8) . . ?
O5 Sn1 O4 85.7(6) 6_556 6_556 ?
O5 Sn1 O4 162.3(5) . 6_556 ?
O1 Sn1 O4 73.3(5) . 6_556 ?
C1 Sn1 O4 93.9(8) . 6_556 ?
O4 Sn1 O4 85.8(9) . 6_556 ?
O5 Sn1 Na1 66.6(4) 6_556 . ?
O5 Sn1 Na1 66.6(4) . . ?
O1 Sn1 Na1 36.3(5) . . ?
C1 Sn1 Na1 161.4(9) . . ?
O4 Sn1 Na1 99.7(4) . . ?
O4 Sn1 Na1 99.7(4) 6_556 . ?
O7 Sn2 O8 90.0(5) . . ?
O7 Sn2 O1 89.6(6) . . ?
O8 Sn2 O1 88.0(5) . . ?
O7 Sn2 O6 89.6(7) . . ?
O8 Sn2 O6 163.1(6) . . ?
O1 Sn2 O6 75.1(6) . . ?
O7 Sn2 O4 161.8(5) . . ?
O8 Sn2 O4 83.8(6) . . ?
O1 Sn2 O4 73.1(6) . . ?
O6 Sn2 O4 91.3(7) . . ?
O7 Sn2 C5 100.0(7) . . ?
O8 Sn2 C5 97.8(8) . . ?
O1 Sn2 C5 168.7(8) . . ?
O6 Sn2 C5 98.9(9) . . ?
O4 Sn2 C5 97.8(7) . . ?
O7 Sn2 Na1 62.6(4) . . ?
O8 Sn2 Na1 66.1(4) . . ?
O1 Sn2 Na1 36.2(4) . . ?
O6 Sn2 Na1 98.9(5) . . ?
O4 Sn2 Na1 99.3(4) . . ?
C5 Sn2 Na1 154.9(7) . . ?
O7 Sn3 O7 92.9(7) . 6_556 ?
O7 Sn3 O2 86.7(4) . . ?
O7 Sn3 O2 86.7(4) 6_556 . ?
O7 Sn3 O10 161.0(5) . 6_556 ?
O7 Sn3 O10 86.8(5) 6_556 6_556 ?
O2 Sn3 O10 74.3(4) . 6_556 ?
O7 Sn3 O10 86.8(5) . . ?
O7 Sn3 O10 161.0(5) 6_556 . ?
O2 Sn3 O10 74.3(4) . . ?
O10 Sn3 O10 87.3(7) 6_556 . ?
O7 Sn3 C9 102.4(7) . . ?
O7 Sn3 C9 102.4(7) 6_556 . ?
O2 Sn3 C9 166.6(10) . . ?
O10 Sn3 C9 96.2(7) 6_556 . ?
O10 Sn3 C9 96.2(7) . . ?
O7 Sn3 Na1 62.8(3) . . ?
O7 Sn3 Na1 62.8(3) 6_556 . ?
O2 Sn3 Na1 36.9(4) . . ?
O10 Sn3 Na1 100.7(3) 6_556 . ?
O10 Sn3 Na1 100.7(3) . . ?
C9 Sn3 Na1 156.5(9) . . ?
O11 Sn4 O2 86.9(5) . . ?
O11 Sn4 O12 94.4(5) . . ?
O2 Sn4 O12 87.1(6) . . ?
O11 Sn4 C13A 103.3(8) . . ?
O2 Sn4 C13A 165.3(8) . . ?
O12 Sn4 C13A 102.3(8) . . ?
O11 Sn4 C13 103.3(8) . . ?
O2 Sn4 C13 165.3(8) . . ?
O12 Sn4 C13 102.3(8) . . ?
O11 Sn4 O9 160.5(5) . . ?
O2 Sn4 O9 73.6(5) . . ?
O12 Sn4 O9 86.0(6) . . ?
C13A Sn4 O9 95.6(8) . . ?
C13 Sn4 O9 95.6(8) . . ?
O11 Sn4 O10 86.1(5) . . ?
O2 Sn4 O10 73.2(5) . . ?
O12 Sn4 O10 160.3(5) . . ?
C13A Sn4 O10 96.7(8) . . ?
C13 Sn4 O10 96.7(8) . . ?
O9 Sn4 O10 87.1(6) . . ?
O11 Sn4 Na1 63.2(3) . . ?
O2 Sn4 Na1 36.9(4) . . ?
O12 Sn4 Na1 63.6(4) . . ?
C13A Sn4 Na1 157.8(7) . . ?
C13 Sn4 Na1 157.8(7) . . ?
O9 Sn4 Na1 100.1(4) . . ?
O10 Sn4 Na1 99.6(4) . . ?
O16 Sn5 O5 97.2(7) . . ?
O16 Sn5 O3 89.5(6) . . ?
O5 Sn5 O3 89.8(5) . . ?
O16 Sn5 C17 105.3(9) . . ?
O5 Sn5 C17 101.4(9) . . ?
O3 Sn5 C17 159.9(8) . . ?
O16 Sn5 O14 86.0(7) . . ?
O5 Sn5 O14 162.5(5) . . ?
O3 Sn5 O14 73.0(5) . . ?
C17 Sn5 O14 94.2(9) . . ?
O16 Sn5 O13 161.7(7) . . ?
O5 Sn5 O13 86.7(6) . . ?
O3 Sn5 O13 72.6(5) . . ?
C17 Sn5 O13 91.2(8) . . ?
O14 Sn5 O13 85.2(7) . . ?
O16 Sn5 Na1 66.0(5) . . ?
O5 Sn5 Na1 66.6(4) . . ?
O3 Sn5 Na1 36.9(3) . . ?
C17 Sn5 Na1 163.0(8) . . ?
O14 Sn5 Na1 99.6(4) . . ?
O13 Sn5 Na1 99.8(4) . . ?
O11 Sn6 O15 89.9(6) . . ?
O11 Sn6 O3 89.7(5) . . ?
O15 Sn6 O3 74.6(6) . . ?
O11 Sn6 O8 90.2(5) . . ?
O15 Sn6 O8 162.9(6) . . ?
O3 Sn6 O8 88.3(5) . . ?
O11 Sn6 C21 100.3(7) . . ?
O15 Sn6 C21 96.6(10) . . ?
O3 Sn6 C21 166.7(8) . . ?
O8 Sn6 C21 100.3(9) . . ?
O11 Sn6 O13 162.0(5) . . ?
O15 Sn6 O13 90.1(6) . . ?
O3 Sn6 O13 72.9(5) . . ?
O8 Sn6 O13 84.6(6) . . ?
C21 Sn6 O13 97.7(8) . . ?
O11 Sn6 Na1 62.8(4) . . ?
O15 Sn6 Na1 98.9(5) . . ?
O3 Sn6 Na1 36.4(3) . . ?
O8 Sn6 Na1 66.1(4) . . ?
C21 Sn6 Na1 156.9(8) . . ?
O13 Sn6 Na1 99.4(4) . . ?
O12 Sn7 O3 90.3(5) . . ?
O12 Sn7 O17 88.7(7) . . ?
O3 Sn7 O17 89.9(7) . . ?
O12 Sn7 O14 161.9(6) . . ?
O3 Sn7 O14 72.9(5) . . ?
O17 Sn7 O14 84.7(7) . . ?
O12 Sn7 O15 90.3(6) . . ?
O3 Sn7 O15 73.3(6) . . ?
O17 Sn7 O15 163.2(7) . . ?
O14 Sn7 O15 91.2(6) . . ?
O12 Sn7 C25 101.1(9) . . ?
O3 Sn7 C25 165.1(9) . . ?
O17 Sn7 C25 99.9(11) . . ?
O14 Sn7 C25 96.7(9) . . ?
O15 Sn7 C25 96.8(10) . . ?
O12 Sn7 Na1 63.2(4) . . ?
O3 Sn7 Na1 36.4(3) . . ?
O17 Sn7 Na1 67.0(6) . . ?
O14 Sn7 Na1 98.8(5) . . ?
O15 Sn7 Na1 97.7(4) . . ?
C25 Sn7 Na1 158.5(9) . . ?
O3 Na1 O3 110.8(7) 6_556 . ?
O3 Na1 O1 109.3(4) 6_556 . ?
O3 Na1 O1 109.3(4) . . ?
O3 Na1 O2 108.9(4) 6_556 . ?
O3 Na1 O2 108.9(4) . . ?
O1 Na1 O2 109.6(6) . . ?
O3 Na1 Sn4 76.7(3) 6_556 6_556 ?
O3 Na1 Sn4 122.2(4) . 6_556 ?
O1 Na1 Sn4 122.2(4) . 6_556 ?
O2 Na1 Sn4 32.2(2) . 6_556 ?
O3 Na1 Sn4 122.2(4) 6_556 . ?
O3 Na1 Sn4 76.7(3) . . ?
O1 Na1 Sn4 122.2(4) . . ?
O2 Na1 Sn4 32.2(2) . . ?
Sn4 Na1 Sn4 55.20(13) 6_556 . ?
O3 Na1 Sn3 121.5(3) 6_556 . ?
O3 Na1 Sn3 121.5(3) . . ?
O1 Na1 Sn3 77.3(4) . . ?
O2 Na1 Sn3 32.3(4) . . ?
Sn4 Na1 Sn3 54.94(11) 6_556 . ?
Sn4 Na1 Sn3 54.94(11) . . ?
O3 Na1 Sn5 92.6(4) 6_556 . ?
O3 Na1 Sn5 32.7(3) . . ?
O1 Na1 Sn5 91.6(4) . . ?
O2 Na1 Sn5 141.7(3) . . ?
Sn4 Na1 Sn5 146.3(3) 6_556 . ?
Sn4 Na1 Sn5 109.44(12) . . ?
Sn3 Na1 Sn5 145.88(11) . . ?
O3 Na1 Sn5 32.7(3) 6_556 6_556 ?
O3 Na1 Sn5 92.6(4) . 6_556 ?
O1 Na1 Sn5 91.6(4) . 6_556 ?
O2 Na1 Sn5 141.7(3) . 6_556 ?
Sn4 Na1 Sn5 109.44(12) 6_556 6_556 ?
Sn4 Na1 Sn5 146.3(3) . 6_556 ?
Sn3 Na1 Sn5 145.88(11) . 6_556 ?
Sn5 Na1 Sn5 65.13(14) . 6_556 ?
O3 Na1 Sn2 141.4(4) 6_556 . ?
O3 Na1 Sn2 91.6(3) . . ?
O1 Na1 Sn2 32.2(2) . . ?
O2 Na1 Sn2 91.6(4) . . ?
Sn4 Na1 Sn2 118.0(2) 6_556 . ?
Sn4 Na1 Sn2 92.60(14) . . ?
Sn3 Na1 Sn2 63.16(13) . . ?
Sn5 Na1 Sn2 90.36(13) . . ?
Sn5 Na1 Sn2 119.9(2) 6_556 . ?
O3 Na1 Sn2 91.6(3) 6_556 6_556 ?
O3 Na1 Sn2 141.4(4) . 6_556 ?
O1 Na1 Sn2 32.2(2) . 6_556 ?
O2 Na1 Sn2 91.6(4) . 6_556 ?
Sn4 Na1 Sn2 92.60(14) 6_556 6_556 ?
Sn4 Na1 Sn2 118.0(2) . 6_556 ?
Sn3 Na1 Sn2 63.16(14) . 6_556 ?
Sn5 Na1 Sn2 119.9(2) . 6_556 ?
Sn5 Na1 Sn2 90.36(13) 6_556 6_556 ?
Sn2 Na1 Sn2 54.50(14) . 6_556 ?
O3 Na1 Sn1 91.8(4) 6_556 . ?
O3 Na1 Sn1 91.8(4) . . ?
O1 Na1 Sn1 32.3(4) . . ?
O2 Na1 Sn1 141.9(5) . . ?
Sn4 Na1 Sn1 145.97(16) 6_556 . ?
Sn4 Na1 Sn1 145.97(16) . . ?
Sn3 Na1 Sn1 109.7(2) . . ?
Sn5 Na1 Sn1 64.70(13) . . ?
Sn5 Na1 Sn1 64.70(13) 6_556 . ?
Sn2 Na1 Sn1 55.30(13) . . ?
Sn2 Na1 Sn1 55.30(13) 6_556 . ?
Sn2 O1 Sn2 106.1(7) . 6_556 ?
Sn2 O1 Sn1 108.0(5) . . ?
Sn2 O1 Sn1 108.0(5) 6_556 . ?
Sn2 O1 Na1 111.6(5) . . ?
Sn2 O1 Na1 111.6(5) 6_556 . ?
Sn1 O1 Na1 111.4(7) . . ?
Sn4 O2 Sn4 108.6(7) 6_556 . ?
Sn4 O2 Sn3 107.8(5) 6_556 . ?
Sn4 O2 Sn3 107.8(5) . . ?
Sn4 O2 Na1 110.9(5) 6_556 . ?
Sn4 O2 Na1 110.9(5) . . ?
Sn3 O2 Na1 110.8(7) . . ?
Sn7 O3 Sn6 107.1(5) . . ?
Sn7 O3 Sn5 107.7(5) . . ?
Sn6 O3 Sn5 108.3(6) . . ?
Sn7 O3 Na1 111.6(6) . . ?
Sn6 O3 Na1 111.6(5) . . ?
Sn5 O3 Na1 110.4(5) . . ?
C29 O4 Sn1 125.1(14) . . ?
C29 O4 Sn2 122.9(16) . . ?
Sn1 O4 Sn2 103.3(6) . . ?
Sn1 O5 Sn5 142.6(8) . . ?
C30 O6 Sn2 126.4(7) . . ?
C30 O6 Sn2 126.4(7) . 6_556 ?
Sn2 O6 Sn2 102.7(9) . 6_556 ?
Sn2 O7 Sn3 137.7(7) . . ?
Sn2 O8 Sn6 139.9(6) . . ?
C31 O9 Sn4 121.5(8) . 6_556 ?
C31 O9 Sn4 121.5(8) . . ?
Sn4 O9 Sn4 101.9(7) 6_556 . ?
C32 O10 Sn3 125.4(16) . . ?
C32 O10 Sn4 125.2(16) . . ?
Sn3 O10 Sn4 102.3(5) . . ?
Sn6 O11 Sn4 137.0(7) . . ?
Sn7 O12 Sn4 135.8(8) . . ?
C33 O13 Sn6 120.8(15) . . ?
C33 O13 Sn5 122.4(17) . . ?
Sn6 O13 Sn5 103.5(6) . . ?
C34 O14 Sn7 123.6(19) . . ?
C34 O14 Sn5 127.8(18) . . ?
Sn7 O14 Sn5 104.0(6) . . ?
C35 O15 Sn6 128.2(19) . . ?
C35 O15 Sn7 119.7(17) . . ?
Sn6 O15 Sn7 104.0(7) . . ?
Sn5 O16 Sn5 142.3(10) . 6_556 ?
Sn7 O17 Sn7 140.8(10) 6_556 . ?
C2 C1 Sn1 113(2) . . ?
C2 C1 H1A 104(2) . . ?
Sn1 C1 H1A 105(3) . . ?
C1 C2 C3 111(3) . . ?
C1 C2 H2A 104(3) . . ?
C3 C2 H2A 102(2) . . ?
C4 C3 C2 114(4) . . ?
C4 C3 H3A 108.8 . . ?
C2 C3 H3A 108.8 . . ?
C4 C3 H3B 108.8 . . ?
C2 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
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 Sn2 116.7(18) . . ?
C6 C5 H5A 108.1 . . ?
Sn2 C5 H5A 108.1 . . ?
C6 C5 H5B 108.1 . . ?
Sn2 C5 H5B 108.1 . . ?
H5A C5 H5B 107.3 . . ?
C5 C6 C7 111(3) . . ?
C5 C6 H6A 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C7 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
C8 C7 C6 99(3) . . ?
C8 C7 H7A 112.1 . . ?
C6 C7 H7A 112.0 . . ?
C8 C7 H7B 112.1 . . ?
C6 C7 H7B 112.1 . . ?
H7A C7 H7B 109.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C10 111(5) 6_556 . ?
C10 C9 Sn3 118(2) 6_556 . ?
C10 C9 Sn3 118(2) . . ?
C9 C10 C11 115(4) . . ?
C9 C10 H10A 108.5 . . ?
C11 C10 H10A 108.5 . . ?
C9 C10 H10B 108.5 . . ?
C11 C10 H10B 108.5 . . ?
H10A C10 H10B 107.5 . . ?
C12 C11 C10 106(4) . . ?
C12 C11 H11A 110.6 . . ?
C10 C11 H11A 110.6 . . ?
C12 C11 H11B 110.6 . . ?
C10 C11 H11B 110.6 . . ?
H11A C11 H11B 108.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Sn4 120.9(19) . . ?
C14 C13 H13A 107.1 . . ?
Sn4 C13 H13A 107.1 . . ?
C14 C13 H13B 107.1 . . ?
Sn4 C13 H13B 107.1 . . ?
H13A C13 H13B 106.8 . . ?
C13 C14 C15 117(3) . . ?
C13 C14 H14A 108.0 . . ?
C15 C14 H14A 108.0 . . ?
C13 C14 H14B 108.0 . . ?
C15 C14 H14B 108.0 . . ?
H14A C14 H14B 107.3 . . ?
C16 C15 C14 111(4) . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14A C13A Sn4 125(2) . . ?
C14A C13A H13C 106.1 . . ?
Sn4 C13A H13C 106.1 . . ?
C14A C13A H13D 106.1 . . ?
Sn4 C13A H13D 106.1 . . ?
H13C C13A H13D 106.3 . . ?
C13A C14A C15A 106(4) . . ?
C13A C14A H14C 110.5 . . ?
C15A C14A H14C 110.6 . . ?
C13A C14A H14D 110.5 . . ?
C15A C14A H14D 110.5 . . ?
H14C C14A H14D 108.7 . . ?
C16A C15A C14A 97(4) . . ?
C16A C15A H15C 112.4 . . ?
C14A C15A H15C 112.4 . . ?
C16A C15A H15D 112.4 . . ?
C14A C15A H15D 112.4 . . ?
H15C C15A H15D 110.0 . . ?
C15A C16A H16D 109.5 . . ?
C15A C16A H16E 109.5 . . ?
H16D C16A H16E 109.5 . . ?
C15A C16A H16F 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C18 C17 Sn5 117.8(19) . . ?
C18 C17 H17A 107.9 . . ?
Sn5 C17 H17A 107.9 . . ?
C18 C17 H17B 107.9 . . ?
Sn5 C17 H17B 107.9 . . ?
H17A C17 H17B 107.2 . . ?
C17 C18 C19 118(3) . . ?
C17 C18 H18A 107.8 . . ?
C19 C18 H18A 107.8 . . ?
C17 C18 H18B 107.8 . . ?
C19 C18 H18B 107.8 . . ?
H18A C18 H18B 107.2 . . ?
C20 C19 C18 111(2) . . ?
C20 C19 H19A 109.4 . . ?
C18 C19 H19A 109.4 . . ?
C20 C19 H19B 109.4 . . ?
C18 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Sn6 118.3(18) . . ?
C22 C21 H21A 107.7 . . ?
Sn6 C21 H21A 107.7 . . ?
C22 C21 H21B 107.7 . . ?
Sn6 C21 H21B 107.7 . . ?
H21A C21 H21B 107.1 . . ?
C23 C22 C21 119(3) . . ?
C23 C22 H22A 107.6 . . ?
C21 C22 H22A 107.6 . . ?
C23 C22 H22B 107.6 . . ?
C21 C22 H22B 107.6 . . ?
H22A C22 H22B 107.0 . . ?
C22 C23 C24 93(3) . . ?
C22 C23 H23A 113.1 . . ?
C24 C23 H23A 113.1 . . ?
C22 C23 H23B 113.1 . . ?
C24 C23 H23B 113.1 . . ?
H23A C23 H23B 110.5 . . ?
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 . . ?
C26 C25 Sn7 119.1(19) . . ?
C26 C25 H25A 107.6 . . ?
Sn7 C25 H25A 107.6 . . ?
C26 C25 H25B 107.6 . . ?
Sn7 C25 H25B 107.6 . . ?
H25A C25 H25B 107.0 . . ?
C25 C26 C27 110(3) . . ?
C25 C26 H26A 109.7 . . ?
C27 C26 H26A 109.7 . . ?
C25 C26 H26B 109.7 . . ?
C27 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
C28 C27 C26 98(3) . . ?
C28 C27 H27A 112.1 . . ?
C26 C27 H27A 112.1 . . ?
C28 C27 H27B 112.1 . . ?
C26 C27 H27B 112.1 . . ?
H27A C27 H27B 109.7 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O4 C29 H29A 109.5 . . ?
O4 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O4 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O6 C30 H30A 112(4) . . ?
O6 C30 H30C 112(4) . . ?
H30A C30 H30C 112(3) . . ?
O9 C31 H31A 112(4) . . ?
O9 C31 H31C 113(4) . . ?
H31A C31 H31C 112(3) . . ?
O10 C32 H32A 109.5 . . ?
O10 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O10 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O13 C33 H33A 109.5 . . ?
O13 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O13 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O14 C34 H34A 109.5 . . ?
O14 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
O14 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O15 C35 H35A 109.5 . . ?
O15 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
O15 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 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
Sn1 C1 C2 C3 -176(6) . . . . ?
C1 C2 C3 C4 146(6) . . . . ?
Sn2 C5 C6 C7 174(3) . . . . ?
C5 C6 C7 C8 163(4) . . . . ?
C10 C9 C10 C11 36(10) 6_556 . . . ?
Sn3 C9 C10 C11 177(4) . . . . ?
C9 C10 C11 C12 158(7) . . . . ?
Sn4 C13 C14 C15 176(4) . . . . ?
C13 C14 C15 C16 161(6) . . . . ?
Sn4 C13A C14A C15A 174(4) . . . . ?
C13A C14A C15A C16A -177(5) . . . . ?
Sn5 C17 C18 C19 -175(3) . . . . ?
C17 C18 C19 C20 -54(7) . . . . ?
Sn6 C21 C22 C23 -178(3) . . . . ?
C21 C22 C23 C24 -174(5) . . . . ?
Sn7 C25 C26 C27 175(3) . . . . ?
C25 C26 C27 C28 168(5) . . . . ?

_refine_diff_density_max         1.359
_refine_diff_density_min         -0.961
_refine_diff_density_rms         0.164

####################################################################### 
# 
# 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_cu_may235_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1838235'
_audit_update_record             
;
2018-04-18 deposited with the CCDC.
2018-07-02 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         ?
_chemical_formula_sum            'C60 H151 Na O28 Sn12'
_chemical_formula_weight         2768.07

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   19.0758(6)
_cell_length_b                   24.1794(10)
_cell_length_c                   21.0889(7)
_cell_angle_alpha                90
_cell_angle_beta                 94.047(2)
_cell_angle_gamma                90
_cell_volume                     9702.8(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    8885
_cell_measurement_theta_min      2.78
_cell_measurement_theta_max      66.52

_exptl_crystal_description       cut-block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.895
_exptl_crystal_F_000             5384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    24.667
_shelx_estimated_absorpt_T_min   0.156
_shelx_estimated_absorpt_T_max   0.243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4648
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Incoatec I\mS'
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            53009
_diffrn_reflns_av_unetI/netI     0.0905
_diffrn_reflns_av_R_equivalents  0.0749
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.322
_diffrn_reflns_theta_max         66.724
_diffrn_reflns_theta_full        66.724
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             17123
_reflns_number_gt                9731
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.1143P)²+74.2183P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17123
_refine_ls_number_parameters     909
_refine_ls_number_restraints     1520
_refine_ls_R_factor_all          0.1384
_refine_ls_R_factor_gt           0.0750
_refine_ls_wR_factor_ref         0.2397
_refine_ls_wR_factor_gt          0.1934
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.005
_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 0.33008(6) 0.43708(6) 0.85610(6) 0.0558(3) Uani 1 1 d . U . . .
Sn2 Sn 0.30772(6) 0.57398(5) 0.87187(5) 0.0540(3) Uani 1 1 d . U . . .
Sn3 Sn 0.16700(6) 0.48971(5) 0.86051(5) 0.0520(3) Uani 1 1 d . U . . .
Sn4 Sn 0.29743(6) 0.36857(5) 0.69104(6) 0.0559(3) Uani 1 1 d . U . . .
Sn5 Sn 0.43966(5) 0.45132(6) 0.71400(5) 0.0569(3) Uani 1 1 d . U . . .
Sn6 Sn 0.34089(5) 0.45533(5) 0.57604(5) 0.0502(3) Uani 1 1 d . U . . .
Sn7 Sn 0.41697(6) 0.60879(6) 0.73256(6) 0.0589(4) Uani 1 1 d . U . . .
Sn8 Sn 0.25675(6) 0.66644(5) 0.72579(6) 0.0584(3) Uani 1 1 d . U . . .
Sn9 Sn 0.31848(6) 0.61195(5) 0.59384(5) 0.0529(3) Uani 1 1 d . U . . .
Sn10 Sn 0.06872(5) 0.49503(5) 0.72793(6) 0.0513(3) Uani 1 1 d . U . . .
Sn11 Sn 0.12536(5) 0.58117(5) 0.61618(5) 0.0489(3) Uani 1 1 d . U . . .
Sn12 Sn 0.14517(5) 0.44427(5) 0.60100(6) 0.0501(3) Uani 1 1 d . U . . .
Na1 Na 0.2648(3) 0.5151(3) 0.7146(3) 0.0449(13) Uani 1 1 d . U . . .
O1 O 0.2649(5) 0.5038(4) 0.8248(5) 0.048(2) Uani 1 1 d . U . . .
O2 O 0.3363(5) 0.4467(5) 0.6760(5) 0.045(2) Uani 1 1 d . U . . .
O3 O 0.3144(5) 0.6009(5) 0.6933(5) 0.045(2) Uani 1 1 d . U . . .
O4 O 0.1490(5) 0.5096(4) 0.6681(5) 0.043(2) Uani 1 1 d . U . . .
O5 O 0.3571(6) 0.5042(5) 0.9195(5) 0.057(3) Uani 1 1 d . U . . .
O6 O 0.2364(6) 0.4254(5) 0.9035(5) 0.057(3) Uani 1 1 d . U . . .
O7 O 0.2143(6) 0.5551(5) 0.9178(5) 0.061(3) Uani 1 1 d . U . . .
O8 O 0.4062(6) 0.3656(5) 0.7243(6) 0.063(3) Uani 1 1 d . U . . .
O9 O 0.3134(6) 0.3695(5) 0.5913(5) 0.058(2) Uani 1 1 d . U . . .
O10 O 0.4457(5) 0.4364(5) 0.6129(5) 0.060(3) Uani 1 1 d . U . . .
O11 O 0.3615(6) 0.6836(5) 0.7595(6) 0.068(3) Uani 1 1 d . U . . .
O12 O 0.4179(6) 0.6416(5) 0.6377(5) 0.064(3) Uani 1 1 d . U . . .
O13 O 0.2708(6) 0.6862(5) 0.6281(6) 0.066(3) Uani 1 1 d . U . . .
O14 O 0.0353(5) 0.5646(5) 0.6693(5) 0.054(3) Uani 1 1 d . U . . .
O15 O 0.0542(5) 0.4338(5) 0.6529(5) 0.057(3) Uani 1 1 d . U . . .
O16 O 0.0937(6) 0.5151(5) 0.5523(5) 0.055(2) Uani 1 1 d . U . . .
O17 O 0.3887(5) 0.5698(5) 0.8141(5) 0.057(3) Uani 1 1 d . U . . .
O18 O 0.2446(6) 0.6233(5) 0.8112(5) 0.060(3) Uani 1 1 d . U . . .
O19 O 0.1171(6) 0.5459(5) 0.7982(5) 0.058(3) Uani 1 1 d . U . . .
O20 O 0.1338(6) 0.4390(5) 0.7827(5) 0.055(2) Uani 1 1 d . U . . .
O21 O 0.2783(6) 0.3905(5) 0.7845(5) 0.063(3) Uani 1 1 d . U . . .
O22 O 0.1959(5) 0.3960(5) 0.6704(5) 0.055(2) Uani 1 1 d . U . . .
O23 O 0.4040(5) 0.4689(5) 0.8008(5) 0.054(3) Uani 1 1 d . U . . .
O24 O 0.4417(5) 0.5361(5) 0.6927(5) 0.059(2) Uani 1 1 d . U . . .
O25 O 0.3681(5) 0.5363(5) 0.5893(5) 0.050(2) Uani 1 1 d . U . . .
O26 O 0.2366(5) 0.4746(5) 0.5696(5) 0.047(2) Uani 1 1 d . U . . .
O27 O 0.2218(5) 0.5760(5) 0.5815(5) 0.046(2) Uani 1 1 d . U . . .
O28 O 0.1643(6) 0.6253(5) 0.6966(5) 0.059(3) Uani 1 1 d . U . . .
C1 C 0.3966(12) 0.3784(8) 0.9074(10) 0.083(5) Uani 1 1 d D U . . .
H1A H 0.4457 0.3917 0.9076 0.099 Uiso 1 1 calc R U . . .
H1B H 0.3838 0.3778 0.9521 0.099 Uiso 1 1 calc R U . . .
C2 C 0.3942(15) 0.3199(9) 0.8826(13) 0.126(8) Uani 1 1 d D U . . .
H2A H 0.3908 0.3210 0.8355 0.151 Uiso 1 1 calc R U . . .
H2B H 0.4389 0.3012 0.8965 0.151 Uiso 1 1 calc R U . . .
C3 C 0.3349(18) 0.2867(11) 0.9040(17) 0.161(12) Uani 1 1 d D U . . .
H3A H 0.2903 0.3037 0.8868 0.193 Uiso 1 1 calc R U . . .
H3B H 0.3359 0.2885 0.9509 0.193 Uiso 1 1 calc R U . . .
C4 C 0.3352(18) 0.2243(10) 0.8835(13) 0.138(11) Uani 1 1 d D U . . .
H4A H 0.2945 0.2055 0.8995 0.207 Uiso 1 1 calc R U . . .
H4B H 0.3328 0.2219 0.8370 0.207 Uiso 1 1 calc R U . . .
H4C H 0.3785 0.2067 0.9012 0.207 Uiso 1 1 calc R U . . .
C5 C 0.3417(9) 0.6349(8) 0.9399(9) 0.069(4) Uani 1 1 d D U . . .
H5A H 0.3047 0.6634 0.9415 0.083 Uiso 1 1 calc R U . . .
H5B H 0.3475 0.6172 0.9823 0.083 Uiso 1 1 calc R U . . .
C6 C 0.4093(10) 0.6625(8) 0.9265(9) 0.081(6) Uani 1 1 d D U . . .
H6A H 0.4047 0.6776 0.8828 0.097 Uiso 1 1 calc R U . . .
H6B H 0.4471 0.6344 0.9282 0.097 Uiso 1 1 calc R U . . .
C7 C 0.4307(11) 0.7090(9) 0.9723(10) 0.091(7) Uani 1 1 d D U . . .
H7A H 0.4387 0.6932 1.0155 0.109 Uiso 1 1 calc R U . . .
H7B H 0.3911 0.7353 0.9731 0.109 Uiso 1 1 calc R U . . .
C8 C 0.4970(13) 0.7415(12) 0.9570(13) 0.140(12) Uani 1 1 d D U . . .
H8A H 0.5065 0.7704 0.9890 0.210 Uiso 1 1 calc R U . . .
H8B H 0.5372 0.7162 0.9573 0.210 Uiso 1 1 calc R U . . .
H8C H 0.4895 0.7585 0.9149 0.210 Uiso 1 1 calc R U . . .
C9 C 0.0865(9) 0.4736(8) 0.9227(9) 0.069(4) Uani 1 1 d D U . . .
H9A H 0.1066 0.4795 0.9667 0.083 Uiso 1 1 calc R U . . .
H9B H 0.0493 0.5017 0.9143 0.083 Uiso 1 1 calc R U . . .
C10 C 0.0513(12) 0.4167(9) 0.9201(12) 0.109(8) Uani 1 1 d D U . . .
H10A H 0.0230 0.4134 0.8791 0.130 Uiso 1 1 calc R U . . .
H10B H 0.0884 0.3881 0.9207 0.130 Uiso 1 1 calc R U . . .
C11 C 0.0038(15) 0.4047(12) 0.9738(15) 0.158(13) Uani 1 1 d D U . . .
H11A H 0.0296 0.4147 1.0146 0.190 Uiso 1 1 calc R U . . .
H11B H -0.0378 0.4291 0.9684 0.190 Uiso 1 1 calc R U . . .
C12 C -0.022(4) 0.3451(15) 0.979(3) 0.45(6) Uani 1 1 d D U . . .
H12A H -0.0515 0.3419 1.0146 0.681 Uiso 1 1 calc R U . . .
H12B H -0.0487 0.3348 0.9394 0.681 Uiso 1 1 calc R U . . .
H12C H 0.0189 0.3204 0.9857 0.681 Uiso 1 1 calc R U . . .
C13 C 0.2773(11) 0.2821(8) 0.6976(10) 0.073(4) Uani 0.5 1 d D U P A 1
H13A H 0.2725 0.2657 0.6545 0.088 Uiso 0.5 1 calc R U P A 1
H13B H 0.3171 0.2637 0.7219 0.088 Uiso 0.5 1 calc R U P A 1
C14 C 0.2094(17) 0.2730(18) 0.731(2) 0.082(13) Uiso 0.5 1 d D . P A 1
H14A H 0.1707 0.2925 0.7067 0.099 Uiso 0.5 1 calc R U P A 1
H14B H 0.2151 0.2903 0.7737 0.099 Uiso 0.5 1 calc R U P A 1
C15 C 0.187(4) 0.2123(19) 0.739(4) 0.19(3) Uiso 0.5 1 d D . P A 1
H15A H 0.1860 0.1930 0.6979 0.223 Uiso 0.5 1 calc R U P A 1
H15B H 0.2221 0.1933 0.7690 0.223 Uiso 0.5 1 calc R U P A 1
C16 C 0.115(5) 0.211(4) 0.766(8) 0.48(11) Uiso 0.5 1 d D . P A 1
H16A H 0.1008 0.1721 0.7710 0.713 Uiso 0.5 1 calc R U P A 1
H16B H 0.1169 0.2295 0.8068 0.713 Uiso 0.5 1 calc R U P A 1
H16C H 0.0809 0.2292 0.7359 0.713 Uiso 0.5 1 calc R U P A 1
C13A C 0.2773(11) 0.2821(8) 0.6976(10) 0.073(4) Uani 0.5 1 d D U P A 2
H13C H 0.3151 0.2621 0.6773 0.088 Uiso 0.5 1 calc R U P A 2
H13D H 0.2807 0.2718 0.7432 0.088 Uiso 0.5 1 calc R U P A 2
C14A C 0.207(2) 0.261(2) 0.668(3) 0.17(3) Uiso 0.5 1 d D . P A 2
H14C H 0.2076 0.2634 0.6212 0.202 Uiso 0.5 1 calc R U P A 2
H14D H 0.1695 0.2863 0.6809 0.202 Uiso 0.5 1 calc R U P A 2
C15A C 0.188(4) 0.202(2) 0.686(4) 0.16(3) Uiso 0.5 1 d D . P A 2
H15C H 0.2179 0.1753 0.6642 0.198 Uiso 0.5 1 calc R U P A 2
H15D H 0.1981 0.1966 0.7328 0.198 Uiso 0.5 1 calc R U P A 2
C16A C 0.111(4) 0.191(4) 0.668(6) 0.36(8) Uiso 0.5 1 d D . P A 2
H16D H 0.0994 0.1528 0.6797 0.538 Uiso 0.5 1 calc R U P A 2
H16E H 0.0822 0.2168 0.6904 0.538 Uiso 0.5 1 calc R U P A 2
H16F H 0.1020 0.1956 0.6220 0.538 Uiso 0.5 1 calc R U P A 2
C17 C 0.5485(8) 0.4373(9) 0.7394(8) 0.069(5) Uani 1 1 d D U . . .
H17A H 0.5654 0.4081 0.7112 0.083 Uiso 1 1 calc R U . . .
H17B H 0.5746 0.4716 0.7308 0.083 Uiso 1 1 calc R U . . .
C18 C 0.5665(9) 0.4207(11) 0.8066(9) 0.095(8) Uani 1 1 d D U . . .
H18A H 0.5401 0.3867 0.8160 0.114 Uiso 1 1 calc R U . . .
H18B H 0.5520 0.4503 0.8352 0.114 Uiso 1 1 calc R U . . .
C19 C 0.6459(11) 0.4098(16) 0.8195(11) 0.153(14) Uani 1 1 d D U . . .
H19A H 0.6600 0.3784 0.7930 0.183 Uiso 1 1 calc R U . . .
H19B H 0.6726 0.4428 0.8076 0.183 Uiso 1 1 calc R U . . .
C20 C 0.6634(19) 0.3964(18) 0.8898(12) 0.194(18) Uani 1 1 d D U . . .
H20A H 0.7140 0.3896 0.8971 0.290 Uiso 1 1 calc R U . . .
H20B H 0.6500 0.4277 0.9159 0.290 Uiso 1 1 calc R U . . .
H20C H 0.6374 0.3633 0.9013 0.290 Uiso 1 1 calc R U . . .
C21 C 0.3579(8) 0.4450(8) 0.4777(7) 0.056(4) Uani 1 1 d D U . . .
H21A H 0.3834 0.4778 0.4633 0.068 Uiso 1 1 calc R U . . .
H21B H 0.3889 0.4125 0.4734 0.068 Uiso 1 1 calc R U . . .
C22 C 0.2935(8) 0.4372(9) 0.4344(6) 0.062(5) Uani 1 1 d D U . . .
H22A H 0.2608 0.4682 0.4410 0.074 Uiso 1 1 calc R U . . .
H22B H 0.2699 0.4027 0.4464 0.074 Uiso 1 1 calc R U . . .
C23 C 0.3062(9) 0.4343(11) 0.3641(7) 0.087(7) Uani 1 1 d D U . . .
H23A H 0.3388 0.4034 0.3569 0.104 Uiso 1 1 calc R U . . .
H23B H 0.3287 0.4690 0.3513 0.104 Uiso 1 1 calc R U . . .
C24 C 0.2375(11) 0.4256(12) 0.3230(10) 0.106(8) Uani 1 1 d D U . . .
H24A H 0.2477 0.4239 0.2781 0.160 Uiso 1 1 calc R U . . .
H24B H 0.2156 0.3909 0.3351 0.160 Uiso 1 1 calc R U . . .
H24C H 0.2055 0.4565 0.3294 0.160 Uiso 1 1 calc R U . . .
C25 C 0.5165(9) 0.6374(9) 0.7691(10) 0.078(5) Uani 1 1 d D U . . .
H25A H 0.5388 0.6578 0.7351 0.093 Uiso 1 1 calc R U . . .
H25B H 0.5097 0.6637 0.8040 0.093 Uiso 1 1 calc R U . . .
C26 C 0.5653(11) 0.5928(10) 0.7934(15) 0.132(9) Uani 1 1 d D U . . .
H26A H 0.5709 0.5660 0.7586 0.158 Uiso 1 1 calc R U . . .
H26B H 0.5430 0.5728 0.8277 0.158 Uiso 1 1 calc R U . . .
C27 C 0.6388(12) 0.6119(16) 0.8192(16) 0.169(12) Uani 1 1 d D U . . .
H27A H 0.6541 0.6428 0.7926 0.203 Uiso 1 1 calc R U . . .
H27B H 0.6724 0.5811 0.8155 0.203 Uiso 1 1 calc R U . . .
C28 C 0.641(2) 0.631(3) 0.8895(18) 0.28(3) Uani 1 1 d D U . . .
H28A H 0.6891 0.6428 0.9033 0.421 Uiso 1 1 calc R U . . .
H28B H 0.6089 0.6623 0.8934 0.421 Uiso 1 1 calc R U . . .
H28C H 0.6272 0.6005 0.9163 0.421 Uiso 1 1 calc R U . . .
C29 C 0.2082(12) 0.7454(9) 0.7516(11) 0.094(6) Uani 1 1 d D U . . .
H29A H 0.1904 0.7426 0.7945 0.112 Uiso 1 1 calc R U . . .
H29B H 0.2434 0.7755 0.7521 0.112 Uiso 1 1 calc R U . . .
C30 C 0.1481(16) 0.7577(15) 0.7028(14) 0.204(17) Uani 1 1 d D U . . .
H30A H 0.1676 0.7716 0.6635 0.245 Uiso 1 1 calc R U . . .
H30B H 0.1225 0.7230 0.6921 0.245 Uiso 1 1 calc R U . . .
C31 C 0.097(2) 0.7995(17) 0.725(3) 0.35(3) Uani 1 1 d D U . . .
H31A H 0.1034 0.8352 0.7031 0.416 Uiso 1 1 calc R U . . .
H31B H 0.1062 0.8056 0.7714 0.416 Uiso 1 1 calc R U . . .
C32 C 0.0218(18) 0.778(3) 0.710(4) 0.48(5) Uani 1 1 d D U . . .
H32A H -0.0120 0.8045 0.7247 0.727 Uiso 1 1 calc R U . . .
H32B H 0.0133 0.7718 0.6643 0.727 Uiso 1 1 calc R U . . .
H32C H 0.0162 0.7423 0.7324 0.727 Uiso 1 1 calc R U . . .
C33 C 0.3291(10) 0.6417(8) 0.4995(8) 0.071(5) Uani 1 1 d D U . . .
H33A H 0.3088 0.6793 0.4958 0.085 Uiso 1 1 calc R U . . .
H33B H 0.3797 0.6446 0.4925 0.085 Uiso 1 1 calc R U . . .
C34 C 0.2937(11) 0.6055(9) 0.4476(7) 0.080(6) Uani 1 1 d D U . . .
H34A H 0.2450 0.5980 0.4584 0.096 Uiso 1 1 calc R U . . .
H34B H 0.3187 0.5696 0.4476 0.096 Uiso 1 1 calc R U . . .
C35 C 0.2914(13) 0.6297(10) 0.3801(8) 0.102(7) Uani 1 1 d D U . . .
H35A H 0.3398 0.6334 0.3666 0.122 Uiso 1 1 calc R U . . .
H35B H 0.2699 0.6670 0.3800 0.122 Uiso 1 1 calc R U . . .
C36 C 0.2483(17) 0.5920(12) 0.3329(11) 0.146(12) Uani 1 1 d D U . . .
H36A H 0.2473 0.6080 0.2902 0.218 Uiso 1 1 calc R U . . .
H36B H 0.2700 0.5552 0.3326 0.218 Uiso 1 1 calc R U . . .
H36C H 0.2002 0.5887 0.3460 0.218 Uiso 1 1 calc R U . . .
C37 C -0.0314(10) 0.4787(9) 0.7620(10) 0.084(5) Uani 1 1 d D U . . .
H37A H -0.0650 0.4743 0.7243 0.100 Uiso 1 1 calc R U . . .
H37B H -0.0283 0.4424 0.7837 0.100 Uiso 1 1 calc R U . . .
C38 C -0.0644(10) 0.5187(10) 0.8066(11) 0.104(7) Uani 1 1 d D U . . .
H38A H -0.0740 0.5548 0.7856 0.125 Uiso 1 1 calc R U . . .
H38B H -0.0332 0.5246 0.8456 0.125 Uiso 1 1 calc R U . . .
C39 C -0.1338(12) 0.4901(12) 0.8227(13) 0.135(10) Uani 1 1 d D U . . .
H39A H -0.1655 0.4863 0.7836 0.162 Uiso 1 1 calc R U . . .
H39B H -0.1237 0.4527 0.8401 0.162 Uiso 1 1 calc R U . . .
C40 C -0.1692(16) 0.5251(16) 0.8715(15) 0.179(14) Uani 1 1 d D U . . .
H40A H -0.2131 0.5073 0.8818 0.269 Uiso 1 1 calc R U . . .
H40B H -0.1377 0.5285 0.9101 0.269 Uiso 1 1 calc R U . . .
H40C H -0.1794 0.5619 0.8538 0.269 Uiso 1 1 calc R U . . .
C41 C 0.0793(9) 0.6489(8) 0.5619(9) 0.068(4) Uani 1 1 d D U . . .
H41A H 0.0377 0.6350 0.5360 0.082 Uiso 1 1 calc R U . . .
H41B H 0.0627 0.6768 0.5918 0.082 Uiso 1 1 calc R U . . .
C42 C 0.1283(11) 0.6772(9) 0.5180(11) 0.094(7) Uani 1 1 d D U . . .
H42A H 0.1435 0.6497 0.4870 0.113 Uiso 1 1 calc R U . . .
H42B H 0.1708 0.6898 0.5437 0.113 Uiso 1 1 calc R U . . .
C43 C 0.0960(14) 0.7267(10) 0.4815(12) 0.117(9) Uani 1 1 d D U . . .
H43A H 0.0815 0.7553 0.5116 0.141 Uiso 1 1 calc R U . . .
H43B H 0.0539 0.7149 0.4546 0.141 Uiso 1 1 calc R U . . .
C44 C 0.1527(17) 0.7505(14) 0.4391(17) 0.187(17) Uani 1 1 d D U . . .
H44A H 0.1332 0.7824 0.4152 0.281 Uiso 1 1 calc R U . . .
H44B H 0.1939 0.7621 0.4662 0.281 Uiso 1 1 calc R U . . .
H44C H 0.1664 0.7219 0.4095 0.281 Uiso 1 1 calc R U . . .
C45 C 0.1173(9) 0.3894(7) 0.5273(9) 0.067(4) Uani 1 1 d D U . . .
H45A H 0.0654 0.3887 0.5217 0.080 Uiso 1 1 calc R U . . .
H45B H 0.1344 0.4051 0.4879 0.080 Uiso 1 1 calc R U . . .
C46 C 0.1423(12) 0.3300(8) 0.5323(11) 0.098(7) Uani 1 1 d D U . . .
H46A H 0.1186 0.3119 0.5671 0.118 Uiso 1 1 calc R U . . .
H46B H 0.1933 0.3302 0.5448 0.118 Uiso 1 1 calc R U . . .
C47 C 0.1303(15) 0.2943(10) 0.4728(12) 0.130(10) Uani 1 1 d D U . . .
H47A H 0.1530 0.3118 0.4371 0.155 Uiso 1 1 calc R U . . .
H47B H 0.0792 0.2916 0.4609 0.155 Uiso 1 1 calc R U . . .
C48 C 0.1610(18) 0.2358(11) 0.4848(18) 0.187(15) Uani 1 1 d D U . . .
H48A H 0.1529 0.2134 0.4463 0.280 Uiso 1 1 calc R U . . .
H48B H 0.2116 0.2386 0.4961 0.280 Uiso 1 1 calc R U . . .
H48C H 0.1380 0.2183 0.5198 0.280 Uiso 1 1 calc R U . . .
C49 C 0.4241(10) 0.5075(9) 0.9518(10) 0.078(6) Uani 1 1 d . U . . .
H49A H 0.4268 0.5407 0.9785 0.117 Uiso 1 1 calc R U . . .
H49B H 0.4322 0.4746 0.9786 0.117 Uiso 1 1 calc R U . . .
H49C H 0.4600 0.5094 0.9209 0.117 Uiso 1 1 calc R U . . .
C50 C 0.2369(12) 0.4150(11) 0.9683(9) 0.096(7) Uani 1 1 d . U . . .
H50A H 0.1885 0.4109 0.9804 0.144 Uiso 1 1 calc R U . . .
H50B H 0.2630 0.3808 0.9783 0.144 Uiso 1 1 calc R U . . .
H50C H 0.2596 0.4458 0.9919 0.144 Uiso 1 1 calc R U . . .
C51 C 0.1897(13) 0.5828(13) 0.9724(12) 0.127(11) Uani 1 1 d . U . . .
H51A H 0.1456 0.5658 0.9836 0.191 Uiso 1 1 calc R U . . .
H51B H 0.2250 0.5794 1.0082 0.191 Uiso 1 1 calc R U . . .
H51C H 0.1818 0.6220 0.9624 0.191 Uiso 1 1 calc R U . . .
C52 C 0.4516(11) 0.3187(10) 0.7164(12) 0.095(7) Uani 1 1 d . U . . .
H52A H 0.4988 0.3269 0.7354 0.142 Uiso 1 1 calc R U . . .
H52B H 0.4328 0.2863 0.7374 0.142 Uiso 1 1 calc R U . . .
H52C H 0.4540 0.3109 0.6710 0.142 Uiso 1 1 calc R U . . .
C53 C 0.3450(11) 0.3237(8) 0.5602(8) 0.075(5) Uani 1 1 d . U . . .
H53A H 0.3475 0.3322 0.5150 0.113 Uiso 1 1 calc R U . . .
H53B H 0.3924 0.3173 0.5797 0.113 Uiso 1 1 calc R U . . .
H53C H 0.3164 0.2904 0.5648 0.113 Uiso 1 1 calc R U . . .
C54 C 0.5051(10) 0.4546(10) 0.5810(10) 0.088(7) Uani 1 1 d . U . . .
H54A H 0.5484 0.4421 0.6047 0.132 Uiso 1 1 calc R U . . .
H54B H 0.5029 0.4391 0.5380 0.132 Uiso 1 1 calc R U . . .
H54C H 0.5049 0.4951 0.5786 0.132 Uiso 1 1 calc R U . . .
C55 C 0.3923(12) 0.7383(9) 0.7644(12) 0.098(7) Uani 1 1 d . U . . .
H55A H 0.4413 0.7355 0.7813 0.147 Uiso 1 1 calc R U . . .
H55B H 0.3904 0.7555 0.7222 0.147 Uiso 1 1 calc R U . . .
H55C H 0.3659 0.7611 0.7930 0.147 Uiso 1 1 calc R U . . .
C56 C 0.4803(10) 0.6411(13) 0.6034(10) 0.110(9) Uani 1 1 d . U . . .
H56A H 0.4701 0.6578 0.5613 0.165 Uiso 1 1 calc R U . . .
H56B H 0.5173 0.6624 0.6269 0.165 Uiso 1 1 calc R U . . .
H56C H 0.4961 0.6029 0.5984 0.165 Uiso 1 1 calc R U . . .
C57 C 0.2936(14) 0.7403(9) 0.6093(10) 0.095(7) Uani 1 1 d . U . . .
H57A H 0.2968 0.7411 0.5632 0.143 Uiso 1 1 calc R U . . .
H57B H 0.2597 0.7681 0.6214 0.143 Uiso 1 1 calc R U . . .
H57C H 0.3398 0.7483 0.6306 0.143 Uiso 1 1 calc R U . . .
C58 C -0.0300(10) 0.5862(11) 0.6559(11) 0.107(9) Uani 1 1 d . U . . .
H58A H -0.0619 0.5725 0.6868 0.161 Uiso 1 1 calc R U . . .
H58B H -0.0276 0.6266 0.6582 0.161 Uiso 1 1 calc R U . . .
H58C H -0.0475 0.5750 0.6130 0.161 Uiso 1 1 calc R U . . .
C59 C 0.0144(11) 0.3862(9) 0.6552(12) 0.102(8) Uani 1 1 d . U . . .
H59A H -0.0244 0.3924 0.6824 0.152 Uiso 1 1 calc R U . . .
H59B H -0.0045 0.3765 0.6123 0.152 Uiso 1 1 calc R U . . .
H59C H 0.0440 0.3559 0.6727 0.152 Uiso 1 1 calc R U . . .
C60 C 0.0924(11) 0.5194(8) 0.4855(8) 0.068(5) Uani 1 1 d . U . . .
H60A H 0.0763 0.4844 0.4662 0.102 Uiso 1 1 calc R U . . .
H60B H 0.0602 0.5491 0.4710 0.102 Uiso 1 1 calc R U . . .
H60C H 0.1397 0.5277 0.4729 0.102 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 O23 2.042(10) . ?
Sn1 O21 2.078(12) . ?
Sn1 O1 2.114(11) . ?
Sn1 O6 2.128(11) . ?
Sn1 O5 2.143(12) . ?
Sn1 C1 2.145(19) . ?
Sn1 Na1 3.673(6) . ?
Sn2 O17 2.035(11) . ?
Sn2 O18 2.072(12) . ?
Sn2 O1 2.102(11) . ?
Sn2 C5 2.125(18) . ?
Sn2 O7 2.138(11) . ?
Sn2 O5 2.147(12) . ?
Sn2 Na1 3.648(6) . ?
Sn3 O19 2.074(12) . ?
Sn3 O1 2.091(10) . ?
Sn3 O20 2.110(11) . ?
Sn3 C9 2.124(16) . ?
Sn3 O7 2.149(12) . ?
Sn3 O6 2.196(12) . ?
Sn3 Sn10 3.2571(17) . ?
Sn3 Na1 3.759(5) . ?
Sn4 O2 2.062(11) . ?
Sn4 O22 2.065(11) . ?
Sn4 O21 2.097(11) . ?
Sn4 O8 2.144(11) . ?
Sn4 O9 2.146(11) . ?
Sn4 C13A 2.13(2) . ?
Sn4 C13 2.13(2) . ?
Sn4 Na1 3.639(6) . ?
Sn5 O23 2.043(10) . ?
Sn5 O2 2.079(9) . ?
Sn5 O24 2.100(13) . ?
Sn5 C17 2.135(15) . ?
Sn5 O10 2.173(11) . ?
Sn5 O8 2.184(13) . ?
Sn5 Na1 3.677(6) . ?
Sn6 O26 2.037(9) . ?
Sn6 O25 2.040(12) . ?
Sn6 O2 2.125(10) . ?
Sn6 C21 2.137(15) . ?
Sn6 O10 2.144(10) . ?
Sn6 O9 2.170(13) . ?
Sn6 Na1 3.653(6) . ?
Sn7 O24 2.017(13) . ?
Sn7 O17 2.066(11) . ?
Sn7 O3 2.078(9) . ?
Sn7 C25 2.114(17) . ?
Sn7 O12 2.152(11) . ?
Sn7 O11 2.190(13) . ?
Sn7 Na1 3.680(6) . ?
Sn8 O3 2.074(11) . ?
Sn8 O28 2.080(11) . ?
Sn8 O18 2.108(11) . ?
Sn8 O11 2.114(12) . ?
Sn8 O13 2.150(12) . ?
Sn8 C29 2.21(2) . ?
Sn8 Na1 3.670(6) . ?
Sn9 O27 2.039(10) . ?
Sn9 O25 2.064(11) . ?
Sn9 O3 2.121(10) . ?
Sn9 C33 2.138(17) . ?
Sn9 O13 2.159(13) . ?
Sn9 O12 2.172(11) . ?
Sn9 Na1 3.659(6) . ?
Sn10 O4 2.082(9) . ?
Sn10 O19 2.091(12) . ?
Sn10 O20 2.123(12) . ?
Sn10 C37 2.125(17) . ?
Sn10 O14 2.156(11) . ?
Sn10 O15 2.171(12) . ?
Sn11 O27 2.031(10) . ?
Sn11 O4 2.081(10) . ?
Sn11 O28 2.094(11) . ?
Sn11 O16 2.149(12) . ?
Sn11 C41 2.149(17) . ?
Sn11 O14 2.153(10) . ?
Sn11 Na1 3.626(6) . ?
Sn12 O26 2.045(10) . ?
Sn12 O22 2.059(11) . ?
Sn12 C45 2.083(17) . ?
Sn12 O4 2.118(10) . ?
Sn12 O15 2.131(10) . ?
Sn12 O16 2.192(12) . ?
Sn12 Na1 3.621(6) . ?
Na1 O2 2.329(12) . ?
Na1 O3 2.336(12) . ?
Na1 O1 2.339(12) . ?
Na1 O4 2.356(11) . ?
O5 C49 1.41(2) . ?
O6 C50 1.39(2) . ?
O7 C51 1.44(2) . ?
O8 C52 1.44(2) . ?
O9 C53 1.44(2) . ?
O10 C54 1.43(2) . ?
O11 C55 1.45(2) . ?
O12 C56 1.44(2) . ?
O13 C57 1.44(2) . ?
O14 C58 1.36(2) . ?
O15 C59 1.38(2) . ?
O16 C60 1.41(2) . ?
C1 C2 1.508(17) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.484(18) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.567(18) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.497(16) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.518(16) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.542(13) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.529(17) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.528(17) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.526(14) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.534(19) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.54(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.52(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C13A C14A 1.52(2) . ?
C13A H13C 0.9900 . ?
C13A H13D 0.9899 . ?
C14A C15A 1.54(2) . ?
C14A H14C 0.9900 . ?
C14A H14D 0.9900 . ?
C15A C16A 1.52(2) . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C17 C18 1.490(16) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.542(17) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.531(13) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.491(15) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.520(15) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.534(13) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.491(17) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.539(17) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.552(19) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.515(18) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.497(19) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.55(2) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.521(16) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.537(16) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.544(18) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.515(17) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.552(17) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.525(18) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.524(16) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.530(17) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.561(18) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.514(16) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.526(17) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.545(18) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
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 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 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
O23 Sn1 O21 95.8(4) . . ?
O23 Sn1 O1 87.0(4) . . ?
O21 Sn1 O1 87.0(5) . . ?
O23 Sn1 O6 162.7(5) . . ?
O21 Sn1 O6 84.1(4) . . ?
O1 Sn1 O6 75.7(4) . . ?
O23 Sn1 O5 85.7(5) . . ?
O21 Sn1 O5 161.0(5) . . ?
O1 Sn1 O5 74.2(4) . . ?
O6 Sn1 O5 88.9(4) . . ?
O23 Sn1 C1 97.4(7) . . ?
O21 Sn1 C1 104.0(7) . . ?
O1 Sn1 C1 167.6(6) . . ?
O6 Sn1 C1 99.3(7) . . ?
O5 Sn1 C1 94.5(7) . . ?
O23 Sn1 Na1 63.3(3) . . ?
O21 Sn1 Na1 64.6(4) . . ?
O1 Sn1 Na1 36.4(3) . . ?
O6 Sn1 Na1 101.7(3) . . ?
O5 Sn1 Na1 99.8(3) . . ?
C1 Sn1 Na1 154.7(6) . . ?
O17 Sn2 O18 95.2(4) . . ?
O17 Sn2 O1 87.9(4) . . ?
O18 Sn2 O1 89.1(4) . . ?
O17 Sn2 C5 103.3(6) . . ?
O18 Sn2 C5 98.9(7) . . ?
O1 Sn2 C5 165.5(6) . . ?
O17 Sn2 O7 162.3(5) . . ?
O18 Sn2 O7 86.3(5) . . ?
O1 Sn2 O7 74.5(4) . . ?
C5 Sn2 O7 93.8(6) . . ?
O17 Sn2 O5 85.1(5) . . ?
O18 Sn2 O5 163.4(5) . . ?
O1 Sn2 O5 74.3(4) . . ?
C5 Sn2 O5 97.2(7) . . ?
O7 Sn2 O5 88.4(5) . . ?
O17 Sn2 Na1 64.4(3) . . ?
O18 Sn2 Na1 65.2(3) . . ?
O1 Sn2 Na1 36.9(3) . . ?
C5 Sn2 Na1 157.3(5) . . ?
O7 Sn2 Na1 100.8(3) . . ?
O5 Sn2 Na1 100.5(3) . . ?
O19 Sn3 O1 92.7(4) . . ?
O19 Sn3 O20 77.8(5) . . ?
O1 Sn3 O20 92.3(4) . . ?
O19 Sn3 C9 101.1(6) . . ?
O1 Sn3 C9 162.8(6) . . ?
O20 Sn3 C9 100.6(6) . . ?
O19 Sn3 O7 91.7(5) . . ?
O1 Sn3 O7 74.5(4) . . ?
O20 Sn3 O7 162.9(4) . . ?
C9 Sn3 O7 94.6(6) . . ?
O19 Sn3 O6 164.1(4) . . ?
O1 Sn3 O6 74.7(4) . . ?
O20 Sn3 O6 92.8(4) . . ?
C9 Sn3 O6 93.2(6) . . ?
O7 Sn3 O6 94.1(5) . . ?
O19 Sn3 Sn10 38.7(3) . . ?
O1 Sn3 Sn10 99.1(3) . . ?
O20 Sn3 Sn10 39.8(3) . . ?
C9 Sn3 Sn10 98.0(5) . . ?
O7 Sn3 Sn10 130.3(3) . . ?
O6 Sn3 Sn10 132.5(3) . . ?
O19 Sn3 Na1 66.8(3) . . ?
O1 Sn3 Na1 34.0(3) . . ?
O20 Sn3 Na1 66.2(3) . . ?
C9 Sn3 Na1 163.2(6) . . ?
O7 Sn3 Na1 97.3(3) . . ?
O6 Sn3 Na1 97.7(3) . . ?
Sn10 Sn3 Na1 65.15(9) . . ?
O2 Sn4 O22 90.9(4) . . ?
O2 Sn4 O21 90.1(4) . . ?
O22 Sn4 O21 83.9(5) . . ?
O2 Sn4 O8 74.4(4) . . ?
O22 Sn4 O8 162.1(5) . . ?
O21 Sn4 O8 85.9(5) . . ?
O2 Sn4 O9 76.2(4) . . ?
O22 Sn4 O9 89.2(4) . . ?
O21 Sn4 O9 164.6(5) . . ?
O8 Sn4 O9 96.9(4) . . ?
O2 Sn4 C13A 167.6(6) . . ?
O22 Sn4 C13A 99.1(6) . . ?
O21 Sn4 C13A 98.2(6) . . ?
O8 Sn4 C13A 96.9(7) . . ?
O9 Sn4 C13A 96.5(6) . . ?
O2 Sn4 C13 167.6(6) . . ?
O22 Sn4 C13 99.1(6) . . ?
O21 Sn4 C13 98.2(6) . . ?
O8 Sn4 C13 96.9(7) . . ?
O9 Sn4 C13 96.5(6) . . ?
O2 Sn4 Na1 36.5(3) . . ?
O22 Sn4 Na1 63.2(3) . . ?
O21 Sn4 Na1 65.3(4) . . ?
O8 Sn4 Na1 99.1(4) . . ?
O9 Sn4 Na1 99.3(3) . . ?
C13A Sn4 Na1 155.9(5) . . ?
C13 Sn4 Na1 155.9(5) . . ?
O23 Sn5 O2 89.4(4) . . ?
O23 Sn5 O24 90.0(5) . . ?
O2 Sn5 O24 90.1(4) . . ?
O23 Sn5 C17 100.9(6) . . ?
O2 Sn5 C17 165.4(7) . . ?
O24 Sn5 C17 100.2(7) . . ?
O23 Sn5 O10 163.3(4) . . ?
O2 Sn5 O10 74.2(4) . . ?
O24 Sn5 O10 87.1(5) . . ?
C17 Sn5 O10 95.8(5) . . ?
O23 Sn5 O8 89.4(5) . . ?
O2 Sn5 O8 73.2(4) . . ?
O24 Sn5 O8 163.3(4) . . ?
C17 Sn5 O8 96.3(7) . . ?
O10 Sn5 O8 88.6(5) . . ?
O23 Sn5 Na1 63.2(3) . . ?
O2 Sn5 Na1 35.7(3) . . ?
O24 Sn5 Na1 67.7(3) . . ?
C17 Sn5 Na1 158.9(6) . . ?
O10 Sn5 Na1 100.6(3) . . ?
O8 Sn5 Na1 97.2(3) . . ?
O26 Sn6 O25 91.6(4) . . ?
O26 Sn6 O2 88.9(4) . . ?
O25 Sn6 O2 89.2(4) . . ?
O26 Sn6 C21 100.2(5) . . ?
O25 Sn6 C21 101.0(6) . . ?
O2 Sn6 C21 166.0(6) . . ?
O26 Sn6 O10 162.6(4) . . ?
O25 Sn6 O10 86.2(5) . . ?
O2 Sn6 O10 73.9(4) . . ?
C21 Sn6 O10 97.2(5) . . ?
O26 Sn6 O9 89.0(4) . . ?
O25 Sn6 O9 163.6(4) . . ?
O2 Sn6 O9 74.4(4) . . ?
C21 Sn6 O9 95.0(6) . . ?
O10 Sn6 O9 88.3(5) . . ?
O26 Sn6 Na1 61.4(3) . . ?
O25 Sn6 Na1 67.8(3) . . ?
O2 Sn6 Na1 36.8(3) . . ?
C21 Sn6 Na1 156.9(5) . . ?
O10 Sn6 Na1 102.0(3) . . ?
O9 Sn6 Na1 98.4(3) . . ?
O24 Sn7 O17 91.8(5) . . ?
O24 Sn7 O3 89.7(4) . . ?
O17 Sn7 O3 89.8(4) . . ?
O24 Sn7 C25 101.9(7) . . ?
O17 Sn7 C25 97.3(6) . . ?
O3 Sn7 C25 166.2(6) . . ?
O24 Sn7 O12 85.2(5) . . ?
O17 Sn7 O12 164.0(4) . . ?
O3 Sn7 O12 74.5(4) . . ?
C25 Sn7 O12 98.8(6) . . ?
O24 Sn7 O11 163.4(4) . . ?
O17 Sn7 O11 90.1(5) . . ?
O3 Sn7 O11 73.8(4) . . ?
C25 Sn7 O11 94.2(7) . . ?
O12 Sn7 O11 88.4(5) . . ?
O24 Sn7 Na1 68.1(3) . . ?
O17 Sn7 Na1 63.5(3) . . ?
O3 Sn7 Na1 35.8(3) . . ?
C25 Sn7 Na1 157.0(6) . . ?
O12 Sn7 Na1 100.9(3) . . ?
O11 Sn7 Na1 98.2(3) . . ?
O3 Sn8 O28 89.7(4) . . ?
O3 Sn8 O18 89.8(4) . . ?
O28 Sn8 O18 82.8(5) . . ?
O3 Sn8 O11 75.5(4) . . ?
O28 Sn8 O11 162.7(5) . . ?
O18 Sn8 O11 88.1(5) . . ?
O3 Sn8 O13 75.4(4) . . ?
O28 Sn8 O13 89.0(5) . . ?
O18 Sn8 O13 163.2(5) . . ?
O11 Sn8 O13 95.8(5) . . ?
O3 Sn8 C29 170.0(7) . . ?
O28 Sn8 C29 97.2(7) . . ?
O18 Sn8 C29 98.3(7) . . ?
O11 Sn8 C29 98.7(7) . . ?
O13 Sn8 C29 97.3(7) . . ?
O3 Sn8 Na1 36.0(3) . . ?
O28 Sn8 Na1 62.7(3) . . ?
O18 Sn8 Na1 64.5(3) . . ?
O11 Sn8 Na1 100.0(4) . . ?
O13 Sn8 Na1 98.7(4) . . ?
C29 Sn8 Na1 153.9(7) . . ?
O27 Sn9 O25 91.7(4) . . ?
O27 Sn9 O3 88.7(4) . . ?
O25 Sn9 O3 89.0(4) . . ?
O27 Sn9 C33 99.7(6) . . ?
O25 Sn9 C33 100.5(6) . . ?
O3 Sn9 C33 167.1(6) . . ?
O27 Sn9 O13 89.9(4) . . ?
O25 Sn9 O13 163.1(4) . . ?
O3 Sn9 O13 74.3(4) . . ?
C33 Sn9 O13 95.8(6) . . ?
O27 Sn9 O12 161.7(4) . . ?
O25 Sn9 O12 85.6(5) . . ?
O3 Sn9 O12 73.2(4) . . ?
C33 Sn9 O12 98.5(6) . . ?
O13 Sn9 O12 87.7(5) . . ?
O27 Sn9 Na1 61.4(3) . . ?
O25 Sn9 Na1 67.5(3) . . ?
O3 Sn9 Na1 36.8(3) . . ?
C33 Sn9 Na1 155.8(5) . . ?
O13 Sn9 Na1 98.8(3) . . ?
O12 Sn9 Na1 101.1(3) . . ?
O4 Sn10 O19 91.3(4) . . ?
O4 Sn10 O20 90.6(4) . . ?
O19 Sn10 O20 77.1(5) . . ?
O4 Sn10 C37 162.5(7) . . ?
O19 Sn10 C37 103.4(6) . . ?
O20 Sn10 C37 101.7(7) . . ?
O4 Sn10 O14 73.8(4) . . ?
O19 Sn10 O14 92.6(5) . . ?
O20 Sn10 O14 161.3(4) . . ?
C37 Sn10 O14 95.9(7) . . ?
O4 Sn10 O15 74.6(4) . . ?
O19 Sn10 O15 161.0(4) . . ?
O20 Sn10 O15 90.1(4) . . ?
C37 Sn10 O15 92.8(6) . . ?
O14 Sn10 O15 95.5(5) . . ?
O4 Sn10 Sn3 97.1(3) . . ?
O19 Sn10 Sn3 38.4(3) . . ?
O20 Sn10 Sn3 39.5(3) . . ?
C37 Sn10 Sn3 100.3(6) . . ?
O14 Sn10 Sn3 130.7(3) . . ?
O15 Sn10 Sn3 129.4(3) . . ?
O27 Sn11 O4 88.3(4) . . ?
O27 Sn11 O28 92.6(4) . . ?
O4 Sn11 O28 86.9(4) . . ?
O27 Sn11 O16 87.1(4) . . ?
O4 Sn11 O16 75.6(4) . . ?
O28 Sn11 O16 162.5(5) . . ?
O27 Sn11 C41 101.6(6) . . ?
O4 Sn11 C41 168.3(5) . . ?
O28 Sn11 C41 98.7(6) . . ?
O16 Sn11 C41 98.4(6) . . ?
O27 Sn11 O14 162.1(4) . . ?
O4 Sn11 O14 73.9(4) . . ?
O28 Sn11 O14 85.6(4) . . ?
O16 Sn11 O14 89.3(4) . . ?
C41 Sn11 O14 96.2(6) . . ?
O27 Sn11 Na1 62.2(3) . . ?
O4 Sn11 Na1 37.8(3) . . ?
O28 Sn11 Na1 63.7(3) . . ?
O16 Sn11 Na1 101.2(3) . . ?
C41 Sn11 Na1 153.6(5) . . ?
O14 Sn11 Na1 101.5(3) . . ?
O26 Sn12 O22 93.7(4) . . ?
O26 Sn12 C45 99.5(6) . . ?
O22 Sn12 C45 104.6(6) . . ?
O26 Sn12 O4 87.7(4) . . ?
O22 Sn12 O4 87.4(4) . . ?
C45 Sn12 O4 165.5(5) . . ?
O26 Sn12 O15 162.4(4) . . ?
O22 Sn12 O15 85.8(4) . . ?
C45 Sn12 O15 97.6(6) . . ?
O4 Sn12 O15 74.7(4) . . ?
O26 Sn12 O16 86.2(4) . . ?
O22 Sn12 O16 161.4(4) . . ?
C45 Sn12 O16 93.8(6) . . ?
O4 Sn12 O16 74.0(4) . . ?
O15 Sn12 O16 88.8(4) . . ?
O26 Sn12 Na1 62.2(3) . . ?
O22 Sn12 Na1 63.6(3) . . ?
C45 Sn12 Na1 155.6(5) . . ?
O4 Sn12 Na1 38.2(3) . . ?
O15 Sn12 Na1 102.4(3) . . ?
O16 Sn12 Na1 100.4(3) . . ?
O2 Na1 O3 107.9(4) . . ?
O2 Na1 O1 107.7(4) . . ?
O3 Na1 O1 108.9(4) . . ?
O2 Na1 O4 111.6(4) . . ?
O3 Na1 O4 110.6(4) . . ?
O1 Na1 O4 110.0(4) . . ?
O2 Na1 Sn12 77.8(3) . . ?
O3 Na1 Sn12 122.5(3) . . ?
O1 Na1 Sn12 123.9(3) . . ?
O4 Na1 Sn12 33.8(3) . . ?
O2 Na1 Sn11 122.4(3) . . ?
O3 Na1 Sn11 77.9(3) . . ?
O1 Na1 Sn11 124.7(3) . . ?
O4 Na1 Sn11 32.7(3) . . ?
Sn12 Na1 Sn11 55.06(9) . . ?
O2 Na1 Sn4 31.7(3) . . ?
O3 Na1 Sn4 139.7(3) . . ?
O1 Na1 Sn4 91.9(3) . . ?
O4 Na1 Sn4 93.0(3) . . ?
Sn12 Na1 Sn4 63.55(11) . . ?
Sn11 Na1 Sn4 118.44(16) . . ?
O2 Na1 Sn2 119.7(3) . . ?
O3 Na1 Sn2 76.2(3) . . ?
O1 Na1 Sn2 32.7(3) . . ?
O4 Na1 Sn2 123.0(3) . . ?
Sn12 Na1 Sn2 151.25(16) . . ?
Sn11 Na1 Sn2 117.22(16) . . ?
Sn4 Na1 Sn2 118.32(16) . . ?
O2 Na1 Sn6 33.1(3) . . ?
O3 Na1 Sn6 90.4(3) . . ?
O1 Na1 Sn6 140.9(3) . . ?
O4 Na1 Sn6 93.3(3) . . ?
Sn12 Na1 Sn6 63.29(10) . . ?
Sn11 Na1 Sn6 91.90(13) . . ?
Sn4 Na1 Sn6 54.78(9) . . ?
Sn2 Na1 Sn6 143.63(17) . . ?
O2 Na1 Sn9 90.6(3) . . ?
O3 Na1 Sn9 33.0(3) . . ?
O1 Na1 Sn9 141.8(4) . . ?
O4 Na1 Sn9 92.7(3) . . ?
Sn12 Na1 Sn9 92.08(13) . . ?
Sn11 Na1 Sn9 63.25(10) . . ?
Sn4 Na1 Sn9 117.96(15) . . ?
Sn2 Na1 Sn9 109.11(16) . . ?
Sn6 Na1 Sn9 63.22(9) . . ?
O2 Na1 Sn8 139.4(3) . . ?
O3 Na1 Sn8 31.5(3) . . ?
O1 Na1 Sn8 92.9(3) . . ?
O4 Na1 Sn8 92.4(3) . . ?
Sn12 Na1 Sn8 119.15(16) . . ?
Sn11 Na1 Sn8 64.26(11) . . ?
Sn4 Na1 Sn8 171.13(17) . . ?
Sn2 Na1 Sn8 63.94(11) . . ?
Sn6 Na1 Sn8 117.82(15) . . ?
Sn9 Na1 Sn8 54.68(9) . . ?
O2 Na1 Sn1 75.3(3) . . ?
O3 Na1 Sn1 119.6(3) . . ?
O1 Na1 Sn1 32.5(3) . . ?
O4 Na1 Sn1 124.3(3) . . ?
Sn12 Na1 Sn1 117.13(17) . . ?
Sn11 Na1 Sn1 152.16(16) . . ?
Sn4 Na1 Sn1 63.83(11) . . ?
Sn2 Na1 Sn1 54.58(9) . . ?
Sn6 Na1 Sn1 108.37(15) . . ?
Sn9 Na1 Sn1 143.00(17) . . ?
Sn8 Na1 Sn1 118.26(16) . . ?
Sn3 O1 Sn2 106.8(4) . . ?
Sn3 O1 Sn1 106.5(5) . . ?
Sn2 O1 Sn1 105.5(5) . . ?
Sn3 O1 Na1 116.0(5) . . ?
Sn2 O1 Na1 110.4(5) . . ?
Sn1 O1 Na1 111.1(5) . . ?
Sn4 O2 Sn5 109.4(5) . . ?
Sn4 O2 Sn6 106.5(5) . . ?
Sn5 O2 Sn6 105.8(4) . . ?
Sn4 O2 Na1 111.8(4) . . ?
Sn5 O2 Na1 112.9(5) . . ?
Sn6 O2 Na1 110.1(4) . . ?
Sn8 O3 Sn7 107.7(5) . . ?
Sn8 O3 Sn9 106.7(5) . . ?
Sn7 O3 Sn9 106.5(4) . . ?
Sn8 O3 Na1 112.5(4) . . ?
Sn7 O3 Na1 112.9(5) . . ?
Sn9 O3 Na1 110.2(5) . . ?
Sn11 O4 Sn10 108.5(4) . . ?
Sn11 O4 Sn12 105.8(4) . . ?
Sn10 O4 Sn12 106.7(4) . . ?
Sn11 O4 Na1 109.5(4) . . ?
Sn10 O4 Na1 117.7(5) . . ?
Sn12 O4 Na1 107.9(4) . . ?
C49 O5 Sn1 121.0(12) . . ?
C49 O5 Sn2 122.4(11) . . ?
Sn1 O5 Sn2 103.0(5) . . ?
C50 O6 Sn1 122.6(12) . . ?
C50 O6 Sn3 119.8(12) . . ?
Sn1 O6 Sn3 102.3(5) . . ?
C51 O7 Sn2 126.3(12) . . ?
C51 O7 Sn3 130.2(12) . . ?
Sn2 O7 Sn3 103.4(5) . . ?
C52 O8 Sn4 124.2(12) . . ?
C52 O8 Sn5 123.5(12) . . ?
Sn4 O8 Sn5 102.6(5) . . ?
C53 O9 Sn4 122.1(10) . . ?
C53 O9 Sn6 123.6(11) . . ?
Sn4 O9 Sn6 102.0(5) . . ?
C54 O10 Sn6 120.9(11) . . ?
C54 O10 Sn5 120.6(11) . . ?
Sn6 O10 Sn5 102.0(4) . . ?
C55 O11 Sn8 124.8(12) . . ?
C55 O11 Sn7 124.9(13) . . ?
Sn8 O11 Sn7 102.3(5) . . ?
C56 O12 Sn7 121.8(12) . . ?
C56 O12 Sn9 120.8(12) . . ?
Sn7 O12 Sn9 102.2(5) . . ?
C57 O13 Sn8 121.6(12) . . ?
C57 O13 Sn9 121.3(12) . . ?
Sn8 O13 Sn9 102.7(5) . . ?
C58 O14 Sn11 124.9(12) . . ?
C58 O14 Sn10 130.3(12) . . ?
Sn11 O14 Sn10 103.3(4) . . ?
C59 O15 Sn12 125.9(12) . . ?
C59 O15 Sn10 125.8(12) . . ?
Sn12 O15 Sn10 103.1(4) . . ?
C60 O16 Sn11 123.7(11) . . ?
C60 O16 Sn12 120.1(11) . . ?
Sn11 O16 Sn12 101.0(5) . . ?
Sn2 O17 Sn7 136.8(6) . . ?
Sn2 O18 Sn8 135.9(6) . . ?
Sn3 O19 Sn10 102.9(5) . . ?
Sn3 O20 Sn10 100.6(5) . . ?
Sn1 O21 Sn4 135.6(6) . . ?
Sn12 O22 Sn4 135.9(5) . . ?
Sn1 O23 Sn5 136.1(6) . . ?
Sn7 O24 Sn5 138.9(6) . . ?
Sn6 O25 Sn9 138.0(5) . . ?
Sn6 O26 Sn12 138.4(6) . . ?
Sn11 O27 Sn9 139.6(6) . . ?
Sn8 O28 Sn11 136.7(6) . . ?
C2 C1 Sn1 116.3(16) . . ?
C2 C1 H1A 108.2 . . ?
Sn1 C1 H1A 108.2 . . ?
C2 C1 H1B 108.2 . . ?
Sn1 C1 H1B 108.2 . . ?
H1A C1 H1B 107.4 . . ?
C3 C2 C1 114(2) . . ?
C3 C2 H2A 108.7 . . ?
C1 C2 H2A 108.7 . . ?
C3 C2 H2B 108.7 . . ?
C1 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
C2 C3 C4 115(2) . . ?
C2 C3 H3A 108.6 . . ?
C4 C3 H3A 108.6 . . ?
C2 C3 H3B 108.6 . . ?
C4 C3 H3B 108.6 . . ?
H3A C3 H3B 107.6 . . ?
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 Sn2 114.1(12) . . ?
C6 C5 H5A 108.7 . . ?
Sn2 C5 H5A 108.7 . . ?
C6 C5 H5B 108.7 . . ?
Sn2 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C5 C6 C7 114.1(16) . . ?
C5 C6 H6A 108.7 . . ?
C7 C6 H6A 108.7 . . ?
C5 C6 H6B 108.7 . . ?
C7 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
C6 C7 C8 115.6(17) . . ?
C6 C7 H7A 108.4 . . ?
C8 C7 H7A 108.4 . . ?
C6 C7 H7B 108.4 . . ?
C8 C7 H7B 108.4 . . ?
H7A C7 H7B 107.4 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 Sn3 118.6(12) . . ?
C10 C9 H9A 107.7 . . ?
Sn3 C9 H9A 107.7 . . ?
C10 C9 H9B 107.7 . . ?
Sn3 C9 H9B 107.7 . . ?
H9A C9 H9B 107.1 . . ?
C11 C10 C9 115.3(19) . . ?
C11 C10 H10A 108.5 . . ?
C9 C10 H10A 108.5 . . ?
C11 C10 H10B 108.5 . . ?
C9 C10 H10B 108.5 . . ?
H10A C10 H10B 107.5 . . ?
C12 C11 C10 116(2) . . ?
C12 C11 H11A 108.3 . . ?
C10 C11 H11A 108.3 . . ?
C12 C11 H11B 108.3 . . ?
C10 C11 H11B 108.3 . . ?
H11A C11 H11B 107.4 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Sn4 109(2) . . ?
C14 C13 H13A 109.8 . . ?
Sn4 C13 H13A 109.8 . . ?
C14 C13 H13B 109.8 . . ?
Sn4 C13 H13B 109.8 . . ?
H13A C13 H13B 108.2 . . ?
C13 C14 C15 116(4) . . ?
C13 C14 H14A 108.3 . . ?
C15 C14 H14A 108.3 . . ?
C13 C14 H14B 108.3 . . ?
C15 C14 H14B 108.3 . . ?
H14A C14 H14B 107.4 . . ?
C16 C15 C14 109(2) . . ?
C16 C15 H15A 109.8 . . ?
C14 C15 H15A 109.9 . . ?
C16 C15 H15B 109.9 . . ?
C14 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14A C13A Sn4 117(3) . . ?
C14A C13A H13C 108.0 . . ?
Sn4 C13A H13C 108.1 . . ?
C14A C13A H13D 108.1 . . ?
Sn4 C13A H13D 108.1 . . ?
H13C C13A H13D 107.3 . . ?
C13A C14A C15A 115(5) . . ?
C13A C14A H14C 108.6 . . ?
C15A C14A H14C 108.6 . . ?
C13A C14A H14D 108.6 . . ?
C15A C14A H14D 108.6 . . ?
H14C C14A H14D 107.6 . . ?
C16A C15A C14A 110(2) . . ?
C16A C15A H15C 109.8 . . ?
C14A C15A H15C 109.8 . . ?
C16A C15A H15D 109.7 . . ?
C14A C15A H15D 109.7 . . ?
H15C C15A H15D 108.2 . . ?
C15A C16A H16D 109.5 . . ?
C15A C16A H16E 109.5 . . ?
H16D C16A H16E 109.5 . . ?
C15A C16A H16F 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C18 C17 Sn5 115.9(12) . . ?
C18 C17 H17A 108.3 . . ?
Sn5 C17 H17A 108.3 . . ?
C18 C17 H17B 108.3 . . ?
Sn5 C17 H17B 108.3 . . ?
H17A C17 H17B 107.4 . . ?
C17 C18 C19 111.8(16) . . ?
C17 C18 H18A 109.3 . . ?
C19 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
C19 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
C20 C19 C18 111(2) . . ?
C20 C19 H19A 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Sn6 115.7(10) . . ?
C22 C21 H21A 108.4 . . ?
Sn6 C21 H21A 108.4 . . ?
C22 C21 H21B 108.4 . . ?
Sn6 C21 H21B 108.4 . . ?
H21A C21 H21B 107.4 . . ?
C21 C22 C23 114.9(13) . . ?
C21 C22 H22A 108.5 . . ?
C23 C22 H22A 108.5 . . ?
C21 C22 H22B 108.5 . . ?
C23 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
C22 C23 C24 111.6(15) . . ?
C22 C23 H23A 109.3 . . ?
C24 C23 H23A 109.3 . . ?
C22 C23 H23B 109.3 . . ?
C24 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
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 . . ?
C26 C25 Sn7 114.3(13) . . ?
C26 C25 H25A 108.7 . . ?
Sn7 C25 H25A 108.7 . . ?
C26 C25 H25B 108.7 . . ?
Sn7 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
C25 C26 C27 116(2) . . ?
C25 C26 H26A 108.3 . . ?
C27 C26 H26A 108.3 . . ?
C25 C26 H26B 108.3 . . ?
C27 C26 H26B 108.3 . . ?
H26A C26 H26B 107.4 . . ?
C26 C27 C28 113(3) . . ?
C26 C27 H27A 109.0 . . ?
C28 C27 H27A 108.9 . . ?
C26 C27 H27B 109.0 . . ?
C28 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 Sn8 108.3(16) . . ?
C30 C29 H29A 110.0 . . ?
Sn8 C29 H29A 110.0 . . ?
C30 C29 H29B 110.0 . . ?
Sn8 C29 H29B 110.0 . . ?
H29A C29 H29B 108.4 . . ?
C31 C30 C29 113.2(18) . . ?
C31 C30 H30A 108.9 . . ?
C29 C30 H30A 108.9 . . ?
C31 C30 H30B 108.9 . . ?
C29 C30 H30B 108.9 . . ?
H30A C30 H30B 107.8 . . ?
C30 C31 C32 108.6(19) . . ?
C30 C31 H31A 110.0 . . ?
C32 C31 H31A 110.0 . . ?
C30 C31 H31B 110.0 . . ?
C32 C31 H31B 110.0 . . ?
H31A C31 H31B 108.4 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 Sn9 114.2(12) . . ?
C34 C33 H33A 108.7 . . ?
Sn9 C33 H33A 108.7 . . ?
C34 C33 H33B 108.7 . . ?
Sn9 C33 H33B 108.7 . . ?
H33A C33 H33B 107.6 . . ?
C33 C34 C35 115.5(16) . . ?
C33 C34 H34A 108.4 . . ?
C35 C34 H34A 108.4 . . ?
C33 C34 H34B 108.4 . . ?
C35 C34 H34B 108.4 . . ?
H34A C34 H34B 107.5 . . ?
C34 C35 C36 110.6(18) . . ?
C34 C35 H35A 109.5 . . ?
C36 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 Sn10 120.9(14) . . ?
C38 C37 H37A 107.1 . . ?
Sn10 C37 H37A 107.1 . . ?
C38 C37 H37B 107.1 . . ?
Sn10 C37 H37B 107.1 . . ?
H37A C37 H37B 106.8 . . ?
C37 C38 C39 104.5(17) . . ?
C37 C38 H38A 110.9 . . ?
C39 C38 H38A 110.9 . . ?
C37 C38 H38B 110.9 . . ?
C39 C38 H38B 110.9 . . ?
H38A C38 H38B 108.9 . . ?
C40 C39 C38 109(2) . . ?
C40 C39 H39A 109.9 . . ?
C38 C39 H39A 109.9 . . ?
C40 C39 H39B 109.9 . . ?
C38 C39 H39B 109.9 . . ?
H39A C39 H39B 108.3 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 Sn11 114.9(12) . . ?
C42 C41 H41A 108.6 . . ?
Sn11 C41 H41A 108.6 . . ?
C42 C41 H41B 108.6 . . ?
Sn11 C41 H41B 108.6 . . ?
H41A C41 H41B 107.5 . . ?
C41 C42 C43 114.5(17) . . ?
C41 C42 H42A 108.6 . . ?
C43 C42 H42A 108.6 . . ?
C41 C42 H42B 108.6 . . ?
C43 C42 H42B 108.6 . . ?
H42A C42 H42B 107.6 . . ?
C42 C43 C44 108(2) . . ?
C42 C43 H43A 110.2 . . ?
C44 C43 H43A 110.2 . . ?
C42 C43 H43B 110.2 . . ?
C44 C43 H43B 110.2 . . ?
H43A C43 H43B 108.5 . . ?
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 . . ?
C46 C45 Sn12 119.4(13) . . ?
C46 C45 H45A 107.5 . . ?
Sn12 C45 H45A 107.5 . . ?
C46 C45 H45B 107.5 . . ?
Sn12 C45 H45B 107.5 . . ?
H45A C45 H45B 107.0 . . ?
C45 C46 C47 116.8(18) . . ?
C45 C46 H46A 108.1 . . ?
C47 C46 H46A 108.1 . . ?
C45 C46 H46B 108.1 . . ?
C47 C46 H46B 108.1 . . ?
H46A C46 H46B 107.3 . . ?
C46 C47 C48 110(2) . . ?
C46 C47 H47A 109.6 . . ?
C48 C47 H47A 109.6 . . ?
C46 C47 H47B 109.6 . . ?
C48 C47 H47B 109.6 . . ?
H47A C47 H47B 108.1 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O5 C49 H49A 109.5 . . ?
O5 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
O5 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
O6 C50 H50A 109.5 . . ?
O6 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
O6 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O7 C51 H51A 109.5 . . ?
O7 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
O7 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O8 C52 H52A 109.5 . . ?
O8 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
O8 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O9 C53 H53A 109.5 . . ?
O9 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
O9 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O10 C54 H54A 109.5 . . ?
O10 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
O10 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O11 C55 H55A 109.5 . . ?
O11 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O11 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O12 C56 H56A 109.5 . . ?
O12 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
O12 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O13 C57 H57A 109.5 . . ?
O13 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
O13 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
O14 C58 H58A 109.5 . . ?
O14 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O14 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O15 C59 H59A 109.5 . . ?
O15 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
O15 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O16 C60 H60A 109.5 . . ?
O16 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
O16 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 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
Sn1 C1 C2 C3 -83(3) . . . . ?
C1 C2 C3 C4 -175(2) . . . . ?
Sn2 C5 C6 C7 175.6(16) . . . . ?
C5 C6 C7 C8 -175(2) . . . . ?
Sn3 C9 C10 C11 169(2) . . . . ?
C9 C10 C11 C12 -170(4) . . . . ?
Sn4 C13 C14 C15 180(4) . . . . ?
C13 C14 C15 C16 -173(9) . . . . ?
Sn4 C13A C14A C15A -167(5) . . . . ?
C13A C14A C15A C16A 166(7) . . . . ?
Sn5 C17 C18 C19 178(2) . . . . ?
C17 C18 C19 C20 176(3) . . . . ?
Sn6 C21 C22 C23 175.5(15) . . . . ?
C21 C22 C23 C24 179(2) . . . . ?
Sn7 C25 C26 C27 179(2) . . . . ?
C25 C26 C27 C28 84(4) . . . . ?
Sn8 C29 C30 C31 162(3) . . . . ?
C29 C30 C31 C32 -133(5) . . . . ?
Sn9 C33 C34 C35 171.8(16) . . . . ?
C33 C34 C35 C36 -175(2) . . . . ?
Sn10 C37 C38 C39 -176.9(18) . . . . ?
C37 C38 C39 C40 176(2) . . . . ?
Sn11 C41 C42 C43 -177.8(17) . . . . ?
C41 C42 C43 C44 -180(3) . . . . ?
Sn12 C45 C46 C47 -170.6(18) . . . . ?
C45 C46 C47 C48 178(2) . . . . ?

_refine_diff_density_max         4.770
_refine_diff_density_min         -1.057
_refine_diff_density_rms         0.226

####################################################################### 
# 
# 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_cu_mayr220_0m
_database_code_depnum_ccdc_archive 'CCDC 1838236'
_audit_update_record             
;
2018-04-18 deposited with the CCDC.
2018-07-02 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         ?
_chemical_formula_sum            'C64 H159 Na O29 Sn13'
_chemical_formula_weight         2958.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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                   24.0683(8)
_cell_length_b                   18.8014(6)
_cell_length_c                   24.5975(7)
_cell_angle_alpha                90
_cell_angle_beta                 113.8910(17)
_cell_angle_gamma                90
_cell_volume                     10177.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9947
_cell_measurement_theta_min      3.06
_cell_measurement_theta_max      53.57

_exptl_crystal_description       cut-block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_F_000             5744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    25.454
_shelx_estimated_absorpt_T_min   0.125
_shelx_estimated_absorpt_T_max   0.208
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4912
_exptl_absorpt_correction_T_max  0.7507
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Incoatec I\mS'
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_measurement_method       'φ nad ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            74384
_diffrn_reflns_av_unetI/netI     0.0614
_diffrn_reflns_av_R_equivalents  0.0859
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.167
_diffrn_reflns_theta_max         54.039
_diffrn_reflns_theta_full        54.039
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             12160
_reflns_number_gt                8057
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0938P)²+309.6281P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12160
_refine_ls_number_parameters     952
_refine_ls_number_restraints     1548
_refine_ls_R_factor_all          0.1315
_refine_ls_R_factor_gt           0.0857
_refine_ls_wR_factor_ref         0.2601
_refine_ls_wR_factor_gt          0.2133
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.005
_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 0.13204(7) 0.22560(8) 0.87594(6) 0.0687(4) Uani 1 1 d . U . . .
Sn2 Sn 0.19237(9) 0.29023(9) 0.78453(8) 0.0923(6) Uani 1 1 d . U . . .
Sn3 Sn 0.06411(9) 0.19322(10) 0.72839(7) 0.0920(6) Uani 1 1 d . U . . .
Sn4 Sn 0.18293(13) 0.48866(10) 0.82407(11) 0.1247(9) Uani 1 1 d . U . . .
Sn5 Sn 0.05024(16) 0.55997(12) 0.72976(12) 0.1583(13) Uani 1 1 d . U . . .
Sn6 Sn 0.12702(15) 0.44483(12) 0.68004(10) 0.1433(11) Uani 1 1 d . U . . .
Sn7 Sn 0.05085(11) 0.50605(9) 0.87664(8) 0.1023(7) Uani 1 1 d . U . . .
Sn8 Sn 0.06079(9) 0.33761(9) 0.92403(6) 0.0791(5) Uani 1 1 d . U . . .
Sn9 Sn -0.06997(10) 0.39783(11) 0.82026(7) 0.0969(6) Uani 1 1 d . U . . .
Sn10 Sn -0.09413(14) 0.44607(16) 0.65818(8) 0.1582(13) Uani 1 1 d . U . . .
Sn11 Sn -0.09106(10) 0.27360(14) 0.68881(7) 0.1251(9) Uani 1 1 d . U . . .
Sn12 Sn -0.01705(14) 0.33351(16) 0.60815(8) 0.1573(13) Uani 1 1 d . U . . .
Sn13 Sn -0.03397(8) 0.20715(10) 0.81733(7) 0.0913(6) Uani 1 1 d . U . . .
Na1 Na 0.0495(5) 0.3737(5) 0.7681(4) 0.090(2) Uani 1 1 d . U . . .
O1 O 0.1083(8) 0.2710(8) 0.7922(6) 0.082(3) Uani 1 1 d . U . . .
O2 O 0.1037(11) 0.4667(9) 0.7520(8) 0.121(3) Uani 1 1 d . U . . .
O3 O 0.0241(8) 0.4012(8) 0.8471(6) 0.086(3) Uani 1 1 d . U . . .
O4 O -0.0410(10) 0.3533(11) 0.6803(7) 0.121(3) Uani 1 1 d . U . . .
O5 O 0.0956(7) 0.1387(8) 0.8118(6) 0.078(3) Uani 1 1 d . U . . .
O6 O 0.2145(7) 0.2299(8) 0.8648(7) 0.084(4) Uani 1 1 d . U . . .
O7 O 0.1566(8) 0.1944(8) 0.7353(7) 0.093(3) Uani 1 1 d . U . . .
O8 O 0.1385(14) 0.5864(12) 0.7982(11) 0.159(5) Uani 1 1 d . U . . .
O9 O 0.0978(13) 0.5538(11) 0.6711(10) 0.160(5) Uani 1 1 d . U . . .
O10 O 0.2101(13) 0.4792(11) 0.7536(10) 0.145(4) Uani 1 1 d . U . . .
O11 O 0.0793(8) 0.4431(8) 0.9565(7) 0.092(4) Uani 1 1 d . U . . .
O12 O -0.0346(8) 0.3451(9) 0.9038(6) 0.092(4) Uani 1 1 d . U . . .
O13 O -0.0407(9) 0.4986(9) 0.8680(7) 0.100(4) Uani 1 1 d . U . . .
O14 O -0.1542(11) 0.3535(13) 0.6568(8) 0.147(4) Uani 1 1 d . U . . .
O15 O -0.0910(12) 0.4077(14) 0.5766(8) 0.167(5) Uani 1 1 d . U . . .
O16 O -0.0806(12) 0.2497(14) 0.6105(8) 0.152(5) Uani 1 1 d . U . . .
O17 O 0.0441(7) 0.2425(8) 0.8719(6) 0.073(3) Uani 1 1 d . U . . .
O18 O 0.1423(7) 0.3240(8) 0.9133(6) 0.078(3) Uani 1 1 d . U . . .
O19 O 0.2002(9) 0.3787(9) 0.8390(8) 0.101(4) Uani 1 1 d . U . . .
O20 O 0.1443(10) 0.3435(9) 0.7087(8) 0.113(4) Uani 1 1 d . U . . .
O21 O -0.0145(8) 0.2132(9) 0.7386(6) 0.095(4) Uani 1 1 d . U . . .
O22 O 0.0519(10) 0.2714(10) 0.6647(7) 0.113(4) Uani 1 1 d . U . . .
O23 O 0.1368(9) 0.4762(9) 0.8801(8) 0.108(4) Uani 1 1 d . U . . .
O24 O 0.0158(10) 0.5336(9) 0.7897(8) 0.120(4) Uani 1 1 d . U . . .
O25 O -0.0241(13) 0.5022(12) 0.6622(8) 0.150(4) Uani 1 1 d . U . . .
O26 O 0.0389(13) 0.4248(13) 0.6284(9) 0.158(4) Uani 1 1 d . U . . .
O27 O -0.0729(10) 0.4578(11) 0.7470(7) 0.121(5) Uani 1 1 d . U . . .
O28 O -0.0745(8) 0.2997(10) 0.7775(7) 0.097(4) Uani 1 1 d . U . . .
O29 O -0.0762(9) 0.2222(10) 0.8746(8) 0.107(5) Uani 1 1 d . U . . .
C1 C 0.1643(10) 0.1533(12) 0.9488(10) 0.078(5) Uani 1 1 d D U . . .
H1A H 0.1955 0.1223 0.9444 0.094 Uiso 1 1 calc R U . . .
H1B H 0.1844 0.1809 0.9860 0.094 Uiso 1 1 calc R U . . .
C2 C 0.1156(10) 0.1062(12) 0.9552(10) 0.089(7) Uani 1 1 d D U . . .
H2A H 0.0858 0.1369 0.9624 0.107 Uiso 1 1 calc R U . . .
H2B H 0.0936 0.0808 0.9172 0.107 Uiso 1 1 calc R U . . .
C3 C 0.1400(14) 0.0515(18) 1.0052(15) 0.161(16) Uani 1 1 d D U . . .
H3A H 0.1608 0.0760 1.0438 0.193 Uiso 1 1 calc R U . . .
H3B H 0.1699 0.0202 0.9988 0.193 Uiso 1 1 calc R U . . .
C4 C 0.0872(17) 0.007(3) 1.006(2) 0.23(3) Uani 1 1 d D U . . .
H4A H 0.1027 -0.0281 1.0383 0.345 Uiso 1 1 calc R U . . .
H4B H 0.0580 0.0384 1.0130 0.345 Uiso 1 1 calc R U . . .
H4C H 0.0670 -0.0174 0.9680 0.345 Uiso 1 1 calc R U . . .
C5 C 0.2839(15) 0.2906(16) 0.7926(16) 0.128(7) Uani 1 1 d D U . . .
H5A H 0.3092 0.2972 0.8355 0.154 Uiso 1 1 calc R U . . .
H5B H 0.2918 0.2416 0.7829 0.154 Uiso 1 1 calc R U . . .
C6 C 0.3110(19) 0.338(3) 0.761(3) 0.30(3) Uani 1 1 d D U . . .
H6A H 0.2966 0.3870 0.7632 0.356 Uiso 1 1 calc R U . . .
H6B H 0.2932 0.3242 0.7188 0.356 Uiso 1 1 calc R U . . .
C7 C 0.3795(18) 0.342(2) 0.780(2) 0.214(18) Uani 1 1 d D U . . .
H7A H 0.3976 0.3727 0.8162 0.256 Uiso 1 1 calc R U . . .
H7B H 0.3975 0.2943 0.7903 0.256 Uiso 1 1 calc R U . . .
C8 C 0.393(3) 0.374(4) 0.730(3) 0.32(4) Uani 1 1 d D U . . .
H8A H 0.4372 0.3763 0.7427 0.479 Uiso 1 1 calc R U . . .
H8B H 0.3754 0.3431 0.6952 0.479 Uiso 1 1 calc R U . . .
H8C H 0.3755 0.4213 0.7210 0.479 Uiso 1 1 calc R U . . .
C9 C 0.0358(14) 0.1022(15) 0.6692(12) 0.115(7) Uani 1 1 d D U . . .
H9A H 0.0207 0.1193 0.6276 0.138 Uiso 1 1 calc R U . . .
H9B H 0.0716 0.0717 0.6765 0.138 Uiso 1 1 calc R U . . .
C10 C -0.0132(14) 0.0575(14) 0.6763(12) 0.119(8) Uani 1 1 d D U . . .
H10A H -0.0487 0.0878 0.6710 0.142 Uiso 1 1 calc R U . . .
H10B H 0.0024 0.0369 0.7168 0.142 Uiso 1 1 calc R U . . .
C11 C -0.0325(19) -0.002(2) 0.6303(17) 0.173(14) Uani 1 1 d D U . . .
H11A H -0.0430 0.0175 0.5900 0.208 Uiso 1 1 calc R U . . .
H11B H 0.0007 -0.0370 0.6391 0.208 Uiso 1 1 calc R U . . .
C12 C -0.088(2) -0.036(2) 0.634(2) 0.184(15) Uani 1 1 d D U . . .
H12A H -0.1020 -0.0753 0.6056 0.276 Uiso 1 1 calc R U . . .
H12B H -0.0764 -0.0552 0.6747 0.276 Uiso 1 1 calc R U . . .
H12C H -0.1198 -0.0009 0.6258 0.276 Uiso 1 1 calc R U . . .
C13 C 0.2688(18) 0.527(2) 0.8894(17) 0.159(8) Uani 1 1 d D U . . .
H13A H 0.2797 0.5699 0.8726 0.191 Uiso 1 1 calc R U . . .
H13B H 0.2618 0.5424 0.9245 0.191 Uiso 1 1 calc R U . . .
C14 C 0.324(2) 0.479(3) 0.912(2) 0.214(17) Uani 1 1 d D U . . .
H14A H 0.3270 0.4593 0.8755 0.257 Uiso 1 1 calc R U . . .
H14B H 0.3130 0.4382 0.9309 0.257 Uiso 1 1 calc R U . . .
C15 C 0.390(2) 0.497(3) 0.954(2) 0.25(2) Uani 1 1 d D U . . .
H15A H 0.4046 0.5373 0.9367 0.298 Uiso 1 1 calc R U . . .
H15B H 0.3913 0.5126 0.9926 0.298 Uiso 1 1 calc R U . . .
C16 C 0.434(3) 0.435(4) 0.964(3) 0.30(3) Uani 1 1 d D U . . .
H16A H 0.4748 0.4489 0.9904 0.447 Uiso 1 1 calc R U . . .
H16B H 0.4203 0.3949 0.9813 0.447 Uiso 1 1 calc R U . . .
H16C H 0.4336 0.4196 0.9254 0.447 Uiso 1 1 calc R U . . .
C17 C 0.017(2) 0.6682(18) 0.7055(18) 0.180(9) Uani 1 1 d D U . . .
H17A H 0.0521 0.7009 0.7178 0.215 Uiso 1 1 calc R U . . .
H17B H -0.0045 0.6711 0.6617 0.215 Uiso 1 1 calc R U . . .
C18 C -0.025(2) 0.6936(17) 0.733(2) 0.19(2) Uani 1 1 d D U . . .
H18A H -0.0044 0.6934 0.7764 0.227 Uiso 1 1 calc R U . . .
H18B H -0.0611 0.6616 0.7209 0.227 Uiso 1 1 calc R U . . .
C19 C -0.046(3) 0.768(2) 0.710(3) 0.27(3) Uani 1 1 d D U . . .
H19A H -0.0119 0.8023 0.7279 0.323 Uiso 1 1 calc R U . . .
H19B H -0.0611 0.7704 0.6666 0.323 Uiso 1 1 calc R U . . .
C20 C -0.096(3) 0.785(3) 0.730(4) 0.38(5) Uani 1 1 d D U . . .
H20A H -0.1109 0.8332 0.7169 0.574 Uiso 1 1 calc R U . . .
H20B H -0.1287 0.7508 0.7125 0.574 Uiso 1 1 calc R U . . .
H20C H -0.0798 0.7825 0.7734 0.574 Uiso 1 1 calc R U . . .
C21 C 0.161(2) 0.4496(17) 0.6135(15) 0.159(9) Uani 1 1 d D U . . .
H21A H 0.1264 0.4594 0.5750 0.191 Uiso 1 1 calc R U . . .
H21B H 0.1890 0.4905 0.6222 0.191 Uiso 1 1 calc R U . . .
C22 C 0.194(3) 0.384(2) 0.606(2) 0.25(2) Uani 1 1 d D U . . .
H22A H 0.1649 0.3439 0.5936 0.297 Uiso 1 1 calc R U . . .
H22B H 0.2267 0.3722 0.6446 0.297 Uiso 1 1 calc R U . . .
C23 C 0.220(3) 0.394(3) 0.560(2) 0.26(3) Uani 1 1 d D U . . .
H23A H 0.1964 0.3665 0.5241 0.313 Uiso 1 1 calc R U . . .
H23B H 0.2173 0.4452 0.5486 0.313 Uiso 1 1 calc R U . . .
C24 C 0.286(3) 0.372(6) 0.583(3) 0.51(8) Uani 1 1 d D U . . .
H24A H 0.3010 0.3793 0.5519 0.770 Uiso 1 1 calc R U . . .
H24B H 0.3100 0.4001 0.6180 0.770 Uiso 1 1 calc R U . . .
H24C H 0.2892 0.3213 0.5936 0.770 Uiso 1 1 calc R U . . .
C25 C 0.0751(17) 0.6053(17) 0.9223(15) 0.134(8) Uani 1 1 d D U . . .
H25A H 0.0655 0.6445 0.8930 0.161 Uiso 1 1 calc R U . . .
H25B H 0.0511 0.6127 0.9463 0.161 Uiso 1 1 calc R U . . .
C26 C 0.1429(19) 0.607(2) 0.963(2) 0.22(2) Uani 1 1 d D U . . .
H26A H 0.1667 0.5959 0.9393 0.269 Uiso 1 1 calc R U . A 1
H26B H 0.1518 0.5698 0.9938 0.269 Uiso 1 1 calc R U . A 1
C27 C 0.163(4) 0.680(3) 0.993(4) 0.50(8) Uiso 0.5 1 d D . P B 1
H27A H 0.1574 0.6807 1.0308 0.605 Uiso 0.5 1 calc R U P B 1
H27B H 0.2067 0.6871 1.0027 0.605 Uiso 0.5 1 calc R U P B 1
C28 C 0.126(8) 0.738(3) 0.952(6) 0.41(11) Uiso 0.5 1 d D . P B 1
H28A H 0.1387 0.7843 0.9715 0.615 Uiso 0.5 1 calc R U P B 1
H28B H 0.1319 0.7370 0.9151 0.615 Uiso 0.5 1 calc R U P B 1
H28C H 0.0827 0.7307 0.9432 0.615 Uiso 0.5 1 calc R U P B 1
C27A C 0.163(4) 0.680(3) 0.993(4) 0.50(8) Uiso 0.5 1 d . . P B 2
H27C H 0.1568 0.7166 0.9627 0.605 Uiso 0.5 1 calc R U P B 2
H27D H 0.1383 0.6921 1.0156 0.605 Uiso 0.5 1 calc R U P B 2
C28A C 0.230(4) 0.676(6) 1.035(6) 0.30(7) Uiso 0.5 1 d D . P B 2
H28D H 0.2425 0.7229 1.0546 0.455 Uiso 0.5 1 calc R U P B 2
H28E H 0.2357 0.6401 1.0657 0.455 Uiso 0.5 1 calc R U P B 2
H28F H 0.2542 0.6646 1.0130 0.455 Uiso 0.5 1 calc R U P B 2
C29 C 0.0881(13) 0.2885(14) 1.0094(10) 0.101(6) Uani 1 1 d D U . . .
H29A H 0.1165 0.2492 1.0121 0.121 Uiso 1 1 calc R U . . .
H29B H 0.1108 0.3240 1.0402 0.121 Uiso 1 1 calc R U . . .
C30 C 0.0375(14) 0.2595(19) 1.0236(12) 0.139(10) Uani 1 1 d D U . . .
H30A H 0.0143 0.2241 0.9930 0.167 Uiso 1 1 calc R U . . .
H30B H 0.0095 0.2986 1.0223 0.167 Uiso 1 1 calc R U . . .
C31 C 0.061(2) 0.224(2) 1.0852(14) 0.192(17) Uani 1 1 d D U . . .
H31A H 0.0932 0.1885 1.0894 0.231 Uiso 1 1 calc R U . . .
H31B H 0.0782 0.2600 1.1173 0.231 Uiso 1 1 calc R U . . .
C32 C 0.005(3) 0.189(4) 1.086(3) 0.35(5) Uani 1 1 d D U . . .
H32A H 0.0148 0.1645 1.1238 0.530 Uiso 1 1 calc R U . . .
H32B H -0.0263 0.2254 1.0808 0.530 Uiso 1 1 calc R U . . .
H32C H -0.0114 0.1546 1.0532 0.530 Uiso 1 1 calc R U . . .
C33 C -0.1638(14) 0.4017(17) 0.8059(13) 0.120(7) Uani 1 1 d D U . . .
H33A H -0.1771 0.4520 0.8003 0.143 Uiso 1 1 calc R U . . .
H33B H -0.1878 0.3762 0.7685 0.143 Uiso 1 1 calc R U . . .
C34 C -0.179(3) 0.370(6) 0.855(3) 0.65(12) Uani 1 1 d D U . . .
H34A H -0.1547 0.3940 0.8935 0.775 Uiso 1 1 calc R U . C 1
H34B H -0.1693 0.3189 0.8595 0.775 Uiso 1 1 calc R U . C 1
C35 C -0.247(3) 0.381(5) 0.839(4) 0.51(8) Uiso 0.5 1 d D . P D 1
H35A H -0.2703 0.3624 0.7988 0.607 Uiso 0.5 1 calc R U P D 1
H35B H -0.2586 0.3549 0.8675 0.607 Uiso 0.5 1 calc R U P D 1
C36 C -0.261(5) 0.459(6) 0.841(7) 0.31(7) Uiso 0.5 1 d D . P D 1
H36A H -0.3047 0.4650 0.8303 0.462 Uiso 0.5 1 calc R U P D 1
H36B H -0.2381 0.4781 0.8809 0.462 Uiso 0.5 1 calc R U P D 1
H36C H -0.2499 0.4855 0.8123 0.462 Uiso 0.5 1 calc R U P D 1
C35A C -0.247(3) 0.381(5) 0.839(4) 0.51(8) Uiso 0.5 1 d . . P D 2
H35C H -0.2594 0.4280 0.8191 0.607 Uiso 0.5 1 calc R U P D 2
H35D H -0.2702 0.3438 0.8112 0.607 Uiso 0.5 1 calc R U P D 2
C36A C -0.260(6) 0.379(11) 0.894(7) 0.44(13) Uiso 0.5 1 d D . P D 2
H36D H -0.3034 0.3866 0.8830 0.664 Uiso 0.5 1 calc R U P D 2
H36E H -0.2478 0.3330 0.9137 0.664 Uiso 0.5 1 calc R U P D 2
H36F H -0.2369 0.4170 0.9217 0.664 Uiso 0.5 1 calc R U P D 2
C37 C -0.1624(19) 0.526(2) 0.6197(15) 0.186(10) Uani 1 1 d D U . . .
H37A H -0.1434 0.5674 0.6084 0.223 Uiso 1 1 calc R U . . .
H37B H -0.1939 0.5071 0.5826 0.223 Uiso 1 1 calc R U . . .
C38 C -0.193(3) 0.554(3) 0.6576(19) 0.35(4) Uani 1 1 d D U . . .
H38A H -0.1636 0.5797 0.6922 0.419 Uiso 1 1 calc R U . . .
H38B H -0.2091 0.5132 0.6728 0.419 Uiso 1 1 calc R U . . .
C39 C -0.246(2) 0.603(3) 0.622(3) 0.39(4) Uani 1 1 d D U . . .
H39A H -0.2756 0.5775 0.5870 0.466 Uiso 1 1 calc R U . . .
H39B H -0.2670 0.6194 0.6467 0.466 Uiso 1 1 calc R U . . .
C40 C -0.222(4) 0.667(4) 0.601(5) 0.52(7) Uani 1 1 d D U . . .
H40A H -0.2561 0.6985 0.5776 0.779 Uiso 1 1 calc R U . . .
H40B H -0.1932 0.6929 0.6349 0.779 Uiso 1 1 calc R U . . .
H40C H -0.2018 0.6512 0.5753 0.779 Uiso 1 1 calc R U . . .
C41 C -0.1636(14) 0.199(2) 0.6712(13) 0.143(7) Uani 1 1 d D U . . .
H41A H -0.1911 0.2018 0.6285 0.171 Uiso 1 1 calc R U . . .
H41B H -0.1465 0.1506 0.6794 0.171 Uiso 1 1 calc R U . . .
C42 C -0.2003(16) 0.213(2) 0.7083(16) 0.168(12) Uani 1 1 d D U . . .
H42A H -0.2156 0.2624 0.7016 0.202 Uiso 1 1 calc R U . . .
H42B H -0.1732 0.2079 0.7510 0.202 Uiso 1 1 calc R U . . .
C43 C -0.254(2) 0.162(3) 0.693(2) 0.24(2) Uani 1 1 d D U . . .
H43A H -0.2817 0.1665 0.6507 0.283 Uiso 1 1 calc R U . . .
H43B H -0.2393 0.1121 0.7005 0.283 Uiso 1 1 calc R U . . .
C44 C -0.287(3) 0.180(4) 0.732(3) 0.30(4) Uani 1 1 d D U . . .
H44A H -0.3219 0.1475 0.7223 0.455 Uiso 1 1 calc R U . . .
H44B H -0.2598 0.1748 0.7735 0.455 Uiso 1 1 calc R U . . .
H44C H -0.3021 0.2290 0.7238 0.455 Uiso 1 1 calc R U . . .
C45 C -0.0165(19) 0.308(2) 0.5223(13) 0.179(10) Uani 1 1 d D U . . .
H45A H -0.0564 0.2871 0.4969 0.215 Uiso 1 1 calc R U . . .
H45B H -0.0121 0.3527 0.5033 0.215 Uiso 1 1 calc R U . . .
C46 C 0.033(2) 0.257(3) 0.5240(13) 0.23(3) Uani 1 1 d D U . . .
H46A H 0.0230 0.2096 0.5346 0.275 Uiso 1 1 calc R U . . .
H46B H 0.0714 0.2728 0.5559 0.275 Uiso 1 1 calc R U . . .
C47 C 0.042(3) 0.252(3) 0.4665(15) 0.30(4) Uani 1 1 d D U . . .
H47A H 0.0056 0.2289 0.4355 0.356 Uiso 1 1 calc R U . . .
H47B H 0.0464 0.2996 0.4525 0.356 Uiso 1 1 calc R U . . .
C48 C 0.097(4) 0.208(7) 0.478(3) 0.63(11) Uani 1 1 d D U . . .
H48A H 0.1035 0.2036 0.4408 0.945 Uiso 1 1 calc R U . . .
H48B H 0.1328 0.2307 0.5082 0.945 Uiso 1 1 calc R U . . .
H48C H 0.0921 0.1602 0.4913 0.945 Uiso 1 1 calc R U . . .
C49 C -0.0428(18) 0.0940(18) 0.8120(15) 0.142(9) Uani 1 1 d D U . . .
H49A H -0.0391 0.0797 0.7749 0.170 Uiso 1 1 calc R U . . .
H49B H -0.0067 0.0746 0.8452 0.170 Uiso 1 1 calc R U . . .
C50 C -0.097(3) 0.055(3) 0.813(5) 0.44(7) Uani 1 1 d D U . . .
H50A H -0.1327 0.0718 0.7783 0.523 Uiso 1 1 calc R U . . .
H50B H -0.1020 0.0710 0.8489 0.523 Uiso 1 1 calc R U . . .
C51 C -0.101(3) -0.026(3) 0.812(4) 0.34(4) Uani 1 1 d D U . . .
H51A H -0.0717 -0.0444 0.8512 0.403 Uiso 1 1 calc R U . . .
H51B H -0.0883 -0.0447 0.7814 0.403 Uiso 1 1 calc R U . . .
C52 C -0.164(3) -0.058(4) 0.801(5) 0.45(7) Uani 1 1 d D U . . .
H52A H -0.1617 -0.1097 0.8013 0.672 Uiso 1 1 calc R U . . .
H52B H -0.1768 -0.0414 0.8318 0.672 Uiso 1 1 calc R U . . .
H52C H -0.1935 -0.0417 0.7618 0.672 Uiso 1 1 calc R U . . .
C53 C 0.1275(14) 0.0715(14) 0.8195(13) 0.109(9) Uani 1 1 d . U . . .
H53A H 0.1385 0.0542 0.8602 0.164 Uiso 1 1 calc R U . . .
H53B H 0.1011 0.0366 0.7912 0.164 Uiso 1 1 calc R U . . .
H53C H 0.1644 0.0783 0.8125 0.164 Uiso 1 1 calc R U . . .
C54 C 0.2729(13) 0.2242(19) 0.9106(14) 0.134(12) Uani 1 1 d . U . . .
H54A H 0.3034 0.2279 0.8938 0.200 Uiso 1 1 calc R U . . .
H54B H 0.2790 0.2625 0.9394 0.200 Uiso 1 1 calc R U . . .
H54C H 0.2769 0.1781 0.9305 0.200 Uiso 1 1 calc R U . . .
C55 C 0.1706(15) 0.1824(16) 0.6828(12) 0.118(8) Uani 1 1 d . U . . .
H55A H 0.1522 0.1375 0.6637 0.177 Uiso 1 1 calc R U . . .
H55B H 0.1541 0.2216 0.6546 0.177 Uiso 1 1 calc R U . . .
H55C H 0.2148 0.1800 0.6954 0.177 Uiso 1 1 calc R U . . .
C56 C 0.164(3) 0.657(2) 0.814(3) 0.226(16) Uani 1 1 d . U . . .
H56A H 0.1326 0.6923 0.7953 0.339 Uiso 1 1 calc R U . . .
H56B H 0.1809 0.6621 0.8573 0.339 Uiso 1 1 calc R U . . .
H56C H 0.1968 0.6628 0.8002 0.339 Uiso 1 1 calc R U . . .
C57 C 0.074(2) 0.590(2) 0.6150(16) 0.207(18) Uani 1 1 d . U . . .
H57A H 0.0634 0.6388 0.6206 0.310 Uiso 1 1 calc R U . . .
H57B H 0.1045 0.5903 0.5982 0.310 Uiso 1 1 calc R U . . .
H57C H 0.0374 0.5650 0.5877 0.310 Uiso 1 1 calc R U . . .
C58 C 0.251(2) 0.529(2) 0.741(2) 0.190(12) Uani 1 1 d . U . . .
H58A H 0.2565 0.5123 0.7055 0.285 Uiso 1 1 calc R U . . .
H58B H 0.2334 0.5764 0.7337 0.285 Uiso 1 1 calc R U . . .
H58C H 0.2906 0.5297 0.7749 0.285 Uiso 1 1 calc R U . . .
C59 C 0.0792(17) 0.4644(15) 1.0106(12) 0.125(11) Uani 1 1 d . U . . .
H59A H 0.0889 0.5152 1.0166 0.188 Uiso 1 1 calc R U . . .
H59B H 0.0390 0.4560 1.0104 0.188 Uiso 1 1 calc R U . . .
H59C H 0.1097 0.4372 1.0429 0.188 Uiso 1 1 calc R U . . .
C61 C -0.0780(16) 0.5615(16) 0.8500(13) 0.124(8) Uani 1 1 d . U . . .
H61A H -0.1187 0.5508 0.8478 0.186 Uiso 1 1 calc R U . . .
H61B H -0.0597 0.5995 0.8791 0.186 Uiso 1 1 calc R U . . .
H61C H -0.0810 0.5770 0.8109 0.186 Uiso 1 1 calc R U . . .
C62 C -0.2126(19) 0.354(3) 0.6077(16) 0.205(13) Uani 1 1 d . U . . .
H62A H -0.2312 0.4010 0.6046 0.308 Uiso 1 1 calc R U . . .
H62B H -0.2077 0.3434 0.5709 0.308 Uiso 1 1 calc R U . . .
H62C H -0.2387 0.3180 0.6141 0.308 Uiso 1 1 calc R U . . .
C63 C -0.095(2) 0.458(2) 0.5305(15) 0.221(17) Uani 1 1 d . U . . .
H63A H -0.1314 0.4878 0.5212 0.332 Uiso 1 1 calc R U . . .
H63B H -0.0589 0.4879 0.5443 0.332 Uiso 1 1 calc R U . . .
H63C H -0.0986 0.4320 0.4947 0.332 Uiso 1 1 calc R U . . .
C64 C -0.114(2) 0.203(3) 0.5615(16) 0.216(16) Uani 1 1 d . U . . .
H64A H -0.0963 0.2046 0.5320 0.324 Uiso 1 1 calc R U . . .
H64B H -0.1115 0.1538 0.5763 0.324 Uiso 1 1 calc R U . . .
H64C H -0.1566 0.2175 0.5431 0.324 Uiso 1 1 calc R U . . .
C65 C -0.102(3) 0.174(3) 0.899(3) 0.26(3) Uani 1 1 d . U . . .
H65A H -0.1179 0.1986 0.9243 0.389 Uiso 1 1 calc R U . . .
H65B H -0.1345 0.1490 0.8670 0.389 Uiso 1 1 calc R U . . .
H65C H -0.0707 0.1397 0.9225 0.389 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 O18 2.036(15) . ?
Sn1 O1 2.084(13) . ?
Sn1 O17 2.102(15) . ?
Sn1 O6 2.113(16) . ?
Sn1 C1 2.130(19) . ?
Sn1 O5 2.191(16) . ?
Sn1 Sn8 3.228(2) . ?
Sn2 O20 2.019(16) . ?
Sn2 O19 2.095(18) . ?
Sn2 C5 2.13(3) . ?
Sn2 O1 2.138(16) . ?
Sn2 O7 2.147(18) . ?
Sn2 O6 2.148(14) . ?
Sn2 Na1 3.650(9) . ?
Sn3 O21 2.042(17) . ?
Sn3 O22 2.081(16) . ?
Sn3 O1 2.093(17) . ?
Sn3 O5 2.140(14) . ?
Sn3 O7 2.163(18) . ?
Sn3 C9 2.17(3) . ?
Sn3 Na1 3.587(9) . ?
Sn4 O2 2.05(2) . ?
Sn4 O8 2.09(2) . ?
Sn4 O10 2.094(18) . ?
Sn4 O23 2.105(16) . ?
Sn4 O19 2.112(16) . ?
Sn4 C13 2.16(4) . ?
Sn4 Na1 3.648(12) . ?
Sn5 O24 2.024(16) . ?
Sn5 O2 2.111(16) . ?
Sn5 O8 2.17(3) . ?
Sn5 O25 2.18(3) . ?
Sn5 O9 2.178(18) . ?
Sn5 C17 2.18(3) . ?
Sn5 Na1 3.630(9) . ?
Sn6 O20 2.015(16) . ?
Sn6 O26 2.02(3) . ?
Sn6 O2 2.102(15) . ?
Sn6 C21 2.11(3) . ?
Sn6 O9 2.149(18) . ?
Sn6 O10 2.18(3) . ?
Sn6 Na1 3.638(9) . ?
Sn7 O24 2.024(16) . ?
Sn7 O3 2.110(17) . ?
Sn7 O23 2.111(19) . ?
Sn7 O13 2.131(19) . ?
Sn7 C25 2.13(3) . ?
Sn7 O11 2.154(14) . ?
Sn7 Na1 3.641(9) . ?
Sn8 O18 2.098(16) . ?
Sn8 O3 2.106(13) . ?
Sn8 O11 2.117(17) . ?
Sn8 C29 2.14(2) . ?
Sn8 O17 2.143(15) . ?
Sn8 O12 2.148(18) . ?
Sn9 O3 2.086(18) . ?
Sn9 O27 2.102(17) . ?
Sn9 O28 2.104(17) . ?
Sn9 O12 2.124(14) . ?
Sn9 C33 2.14(3) . ?
Sn9 O13 2.190(18) . ?
Sn9 Na1 3.620(9) . ?
Sn10 O25 1.96(3) . ?
Sn10 O27 2.044(16) . ?
Sn10 O4 2.100(16) . ?
Sn10 C37 2.15(3) . ?
Sn10 O15 2.163(18) . ?
Sn10 O14 2.25(3) . ?
Sn10 Na1 3.680(9) . ?
Sn11 O4 1.99(3) . ?
Sn11 O14 2.053(18) . ?
Sn11 O21 2.087(15) . ?
Sn11 O16 2.090(18) . ?
Sn11 O28 2.111(15) . ?
Sn11 C41 2.14(4) . ?
Sn11 Sn13 3.150(3) . ?
Sn11 Na1 3.666(12) . ?
Sn12 O22 2.045(16) . ?
Sn12 O4 2.108(16) . ?
Sn12 O26 2.11(3) . ?
Sn12 O15 2.143(18) . ?
Sn12 C45 2.17(3) . ?
Sn12 O16 2.21(3) . ?
Sn12 Na1 3.675(9) . ?
Sn13 O17 1.931(15) . ?
Sn13 O28 2.041(16) . ?
Sn13 O29 2.063(18) . ?
Sn13 C49 2.14(3) . ?
Sn13 O21 2.172(16) . ?
Na1 O2 2.31(2) . ?
Na1 O3 2.320(15) . ?
Na1 O1 2.324(16) . ?
Na1 O4 2.40(2) . ?
O5 C53 1.45(3) . ?
O6 C54 1.40(3) . ?
O7 C55 1.48(3) . ?
O8 C56 1.44(5) . ?
O9 C57 1.43(3) . ?
O10 C58 1.48(4) . ?
O11 C59 1.39(3) . ?
O13 C61 1.44(3) . ?
O14 C62 1.43(4) . ?
O15 C63 1.45(4) . ?
O16 C64 1.45(5) . ?
O29 C65 1.36(4) . ?
C1 C2 1.530(17) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.526(18) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.530(19) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.493(19) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.52(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.51(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.514(19) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.524(19) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.514(19) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.52(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.54(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.52(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.500(19) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.514(19) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.49(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.510(19) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.518(19) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.50(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.53(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27A 1.54(2) . ?
C26 C27 1.54(2) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.517(15) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C27A C28A 1.52(2) . ?
C27A H27C 0.9900 . ?
C27A H27D 0.9900 . ?
C28A C36A 1.90(18) 3_567 ?
C28A H28D 0.9800 . ?
C28A H28E 0.9800 . ?
C28A H28F 0.9800 . ?
C29 C30 1.499(19) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.536(19) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.53(2) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.52(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35A 1.53(2) . ?
C34 C35 1.53(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.51(2) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C35A C36A 1.51(2) . ?
C35A H35C 0.9899 . ?
C35A H35D 0.9899 . ?
C36A C28A 1.90(18) 3_567 ?
C36A H36D 0.9800 . ?
C36A H36E 0.9800 . ?
C36A H36F 0.9800 . ?
C37 C38 1.500(19) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.53(2) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.51(2) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.527(19) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.53(2) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.50(2) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.503(19) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.517(19) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.50(2) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.50(2) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.53(2) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.54(2) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 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
O18 Sn1 O1 90.5(6) . . ?
O18 Sn1 O17 79.6(6) . . ?
O1 Sn1 O17 91.3(6) . . ?
O18 Sn1 O6 94.3(6) . . ?
O1 Sn1 O6 75.6(6) . . ?
O17 Sn1 O6 165.7(5) . . ?
O18 Sn1 C1 105.3(8) . . ?
O1 Sn1 C1 162.5(8) . . ?
O17 Sn1 C1 98.9(7) . . ?
O6 Sn1 C1 95.3(7) . . ?
O18 Sn1 O5 160.4(5) . . ?
O1 Sn1 O5 74.0(6) . . ?
O17 Sn1 O5 88.6(6) . . ?
O6 Sn1 O5 93.4(6) . . ?
C1 Sn1 O5 91.9(7) . . ?
O18 Sn1 Sn8 39.4(5) . . ?
O1 Sn1 Sn8 97.0(4) . . ?
O17 Sn1 Sn8 41.0(4) . . ?
O6 Sn1 Sn8 133.6(5) . . ?
C1 Sn1 Sn8 100.1(7) . . ?
O5 Sn1 Sn8 129.2(4) . . ?
O20 Sn2 O19 93.8(7) . . ?
O20 Sn2 C5 105.5(10) . . ?
O19 Sn2 C5 96.7(11) . . ?
O20 Sn2 O1 87.6(7) . . ?
O19 Sn2 O1 85.5(6) . . ?
C5 Sn2 O1 166.5(8) . . ?
O20 Sn2 O7 86.9(7) . . ?
O19 Sn2 O7 159.8(7) . . ?
C5 Sn2 O7 102.6(11) . . ?
O1 Sn2 O7 74.4(6) . . ?
O20 Sn2 O6 161.4(7) . . ?
O19 Sn2 O6 84.7(6) . . ?
C5 Sn2 O6 93.1(9) . . ?
O1 Sn2 O6 73.8(6) . . ?
O7 Sn2 O6 88.2(6) . . ?
O20 Sn2 Na1 61.5(5) . . ?
O19 Sn2 Na1 64.3(5) . . ?
C5 Sn2 Na1 154.3(8) . . ?
O1 Sn2 Na1 36.8(4) . . ?
O7 Sn2 Na1 98.8(5) . . ?
O6 Sn2 Na1 101.6(4) . . ?
O21 Sn3 O22 96.2(7) . . ?
O21 Sn3 O1 89.7(6) . . ?
O22 Sn3 O1 86.8(7) . . ?
O21 Sn3 O5 87.5(6) . . ?
O22 Sn3 O5 161.4(7) . . ?
O1 Sn3 O5 74.9(6) . . ?
O21 Sn3 O7 164.6(7) . . ?
O22 Sn3 O7 83.0(7) . . ?
O1 Sn3 O7 74.9(6) . . ?
O5 Sn3 O7 88.7(6) . . ?
O21 Sn3 C9 99.9(9) . . ?
O22 Sn3 C9 98.2(9) . . ?
O1 Sn3 C9 168.6(9) . . ?
O5 Sn3 C9 99.1(9) . . ?
O7 Sn3 C9 95.4(9) . . ?
O21 Sn3 Na1 66.1(5) . . ?
O22 Sn3 Na1 62.4(5) . . ?
O1 Sn3 Na1 37.9(4) . . ?
O5 Sn3 Na1 103.1(4) . . ?
O7 Sn3 Na1 100.4(5) . . ?
C9 Sn3 Na1 152.8(8) . . ?
O2 Sn4 O8 74.4(10) . . ?
O2 Sn4 O10 76.1(9) . . ?
O8 Sn4 O10 96.6(7) . . ?
O2 Sn4 O23 89.5(7) . . ?
O8 Sn4 O23 87.6(7) . . ?
O10 Sn4 O23 163.3(10) . . ?
O2 Sn4 O19 90.1(7) . . ?
O8 Sn4 O19 162.5(11) . . ?
O10 Sn4 O19 87.5(7) . . ?
O23 Sn4 O19 84.0(6) . . ?
O2 Sn4 C13 169.2(10) . . ?
O8 Sn4 C13 98.7(14) . . ?
O10 Sn4 C13 96.8(12) . . ?
O23 Sn4 C13 98.6(11) . . ?
O19 Sn4 C13 97.7(11) . . ?
O2 Sn4 Na1 35.6(5) . . ?
O8 Sn4 Na1 98.2(9) . . ?
O10 Sn4 Na1 99.2(8) . . ?
O23 Sn4 Na1 64.1(6) . . ?
O19 Sn4 Na1 64.3(6) . . ?
C13 Sn4 Na1 155.2(9) . . ?
O24 Sn5 O2 89.7(6) . . ?
O24 Sn5 O8 93.0(8) . . ?
O2 Sn5 O8 71.7(9) . . ?
O24 Sn5 O25 88.9(9) . . ?
O2 Sn5 O25 90.6(8) . . ?
O8 Sn5 O25 162.1(7) . . ?
O24 Sn5 O9 161.8(7) . . ?
O2 Sn5 O9 72.5(6) . . ?
O8 Sn5 O9 85.0(10) . . ?
O25 Sn5 O9 87.6(10) . . ?
O24 Sn5 C17 102.3(9) . . ?
O2 Sn5 C17 164.6(13) . . ?
O8 Sn5 C17 97.8(15) . . ?
O25 Sn5 C17 99.1(15) . . ?
O9 Sn5 C17 95.9(9) . . ?
O24 Sn5 Na1 61.8(5) . . ?
O2 Sn5 Na1 36.7(6) . . ?
O8 Sn5 Na1 97.2(6) . . ?
O25 Sn5 Na1 68.1(5) . . ?
O9 Sn5 Na1 100.4(5) . . ?
C17 Sn5 Na1 158.7(11) . . ?
O20 Sn6 O26 93.4(9) . . ?
O20 Sn6 O2 88.8(6) . . ?
O26 Sn6 O2 89.7(9) . . ?
O20 Sn6 C21 102.8(9) . . ?
O26 Sn6 C21 99.1(14) . . ?
O2 Sn6 C21 164.9(13) . . ?
O20 Sn6 O9 161.8(6) . . ?
O26 Sn6 O9 84.1(10) . . ?
O2 Sn6 O9 73.2(6) . . ?
C21 Sn6 O9 95.4(9) . . ?
O20 Sn6 O10 90.0(8) . . ?
O26 Sn6 O10 162.6(7) . . ?
O2 Sn6 O10 73.2(8) . . ?
C21 Sn6 O10 96.8(14) . . ?
O9 Sn6 O10 87.4(10) . . ?
O20 Sn6 Na1 61.8(5) . . ?
O26 Sn6 Na1 69.1(6) . . ?
O2 Sn6 Na1 36.4(6) . . ?
C21 Sn6 Na1 158.7(11) . . ?
O9 Sn6 Na1 100.7(5) . . ?
O10 Sn6 Na1 97.7(5) . . ?
O24 Sn7 O3 86.4(7) . . ?
O24 Sn7 O23 95.4(7) . . ?
O3 Sn7 O23 85.6(7) . . ?
O24 Sn7 O13 86.5(7) . . ?
O3 Sn7 O13 75.2(6) . . ?
O23 Sn7 O13 160.6(7) . . ?
O24 Sn7 C25 103.9(11) . . ?
O3 Sn7 C25 168.2(9) . . ?
O23 Sn7 C25 99.0(11) . . ?
O13 Sn7 C25 99.3(11) . . ?
O24 Sn7 O11 161.3(7) . . ?
O3 Sn7 O11 74.9(6) . . ?
O23 Sn7 O11 82.7(6) . . ?
O13 Sn7 O11 89.4(6) . . ?
C25 Sn7 O11 94.8(10) . . ?
O24 Sn7 Na1 61.6(5) . . ?
O3 Sn7 Na1 36.7(4) . . ?
O23 Sn7 Na1 64.3(6) . . ?
O13 Sn7 Na1 100.4(5) . . ?
C25 Sn7 Na1 154.5(9) . . ?
O11 Sn7 Na1 101.4(4) . . ?
O18 Sn8 O3 91.7(6) . . ?
O18 Sn8 O11 95.6(6) . . ?
O3 Sn8 O11 75.8(6) . . ?
O18 Sn8 C29 98.0(8) . . ?
O3 Sn8 C29 167.7(8) . . ?
O11 Sn8 C29 95.7(8) . . ?
O18 Sn8 O17 77.4(6) . . ?
O3 Sn8 O17 91.5(6) . . ?
O11 Sn8 O17 165.5(5) . . ?
C29 Sn8 O17 97.9(8) . . ?
O18 Sn8 O12 160.9(5) . . ?
O3 Sn8 O12 74.6(6) . . ?
O11 Sn8 O12 93.9(7) . . ?
C29 Sn8 O12 97.5(8) . . ?
O17 Sn8 O12 89.6(6) . . ?
O18 Sn8 Sn1 38.0(4) . . ?
O3 Sn8 Sn1 97.6(4) . . ?
O11 Sn8 Sn1 133.4(5) . . ?
C29 Sn8 Sn1 94.6(7) . . ?
O17 Sn8 Sn1 40.0(4) . . ?
O12 Sn8 Sn1 129.4(4) . . ?
O3 Sn9 O27 84.9(7) . . ?
O3 Sn9 O28 90.9(6) . . ?
O27 Sn9 O28 93.7(7) . . ?
O3 Sn9 O12 75.5(6) . . ?
O27 Sn9 O12 160.1(8) . . ?
O28 Sn9 O12 89.6(6) . . ?
O3 Sn9 C33 171.0(9) . . ?
O27 Sn9 C33 100.0(10) . . ?
O28 Sn9 C33 96.3(10) . . ?
O12 Sn9 C33 99.1(9) . . ?
O3 Sn9 O13 74.5(6) . . ?
O27 Sn9 O13 83.5(7) . . ?
O28 Sn9 O13 165.2(7) . . ?
O12 Sn9 O13 88.3(6) . . ?
C33 Sn9 O13 98.5(10) . . ?
O3 Sn9 Na1 36.9(4) . . ?
O27 Sn9 Na1 61.3(5) . . ?
O28 Sn9 Na1 66.5(5) . . ?
O12 Sn9 Na1 102.7(5) . . ?
C33 Sn9 Na1 151.9(8) . . ?
O13 Sn9 Na1 99.8(5) . . ?
O25 Sn10 O27 92.9(9) . . ?
O25 Sn10 O4 90.8(8) . . ?
O27 Sn10 O4 87.2(6) . . ?
O25 Sn10 C37 97.6(15) . . ?
O27 Sn10 C37 102.2(10) . . ?
O4 Sn10 C37 167.1(14) . . ?
O25 Sn10 O15 82.7(10) . . ?
O27 Sn10 O15 160.1(7) . . ?
O4 Sn10 O15 73.5(6) . . ?
C37 Sn10 O15 97.7(10) . . ?
O25 Sn10 O14 162.1(7) . . ?
O27 Sn10 O14 88.9(8) . . ?
O4 Sn10 O14 71.5(8) . . ?
C37 Sn10 O14 99.5(15) . . ?
O15 Sn10 O14 89.5(10) . . ?
O25 Sn10 Na1 68.2(5) . . ?
O27 Sn10 Na1 60.1(5) . . ?
O4 Sn10 Na1 37.8(6) . . ?
C37 Sn10 Na1 155.1(13) . . ?
O15 Sn10 Na1 100.5(5) . . ?
O14 Sn10 Na1 97.5(5) . . ?
O4 Sn11 O14 78.1(10) . . ?
O4 Sn11 O21 92.5(7) . . ?
O14 Sn11 O21 164.5(9) . . ?
O4 Sn11 O16 76.1(10) . . ?
O14 Sn11 O16 98.7(7) . . ?
O21 Sn11 O16 90.9(7) . . ?
O4 Sn11 O28 93.8(7) . . ?
O14 Sn11 O28 91.5(7) . . ?
O21 Sn11 O28 76.6(6) . . ?
O16 Sn11 O28 163.7(9) . . ?
O4 Sn11 C41 162.1(10) . . ?
O14 Sn11 C41 89.0(12) . . ?
O21 Sn11 C41 102.6(10) . . ?
O16 Sn11 C41 93.8(12) . . ?
O28 Sn11 C41 99.1(10) . . ?
O4 Sn11 Sn13 111.6(5) . . ?
O14 Sn11 Sn13 129.0(5) . . ?
O21 Sn11 Sn13 43.4(4) . . ?
O16 Sn11 Sn13 132.3(5) . . ?
O28 Sn11 Sn13 39.8(4) . . ?
C41 Sn11 Sn13 86.2(8) . . ?
O4 Sn11 Na1 36.9(5) . . ?
O14 Sn11 Na1 102.1(8) . . ?
O21 Sn11 Na1 64.1(6) . . ?
O16 Sn11 Na1 99.8(9) . . ?
O28 Sn11 Na1 65.4(6) . . ?
C41 Sn11 Na1 160.8(8) . . ?
Sn13 Sn11 Na1 74.71(13) . . ?
O22 Sn12 O4 87.2(6) . . ?
O22 Sn12 O26 92.2(9) . . ?
O4 Sn12 O26 91.3(8) . . ?
O22 Sn12 O15 160.7(6) . . ?
O4 Sn12 O15 73.8(6) . . ?
O26 Sn12 O15 85.0(11) . . ?
O22 Sn12 C45 102.3(9) . . ?
O4 Sn12 C45 165.7(14) . . ?
O26 Sn12 C45 98.9(15) . . ?
O15 Sn12 C45 97.1(9) . . ?
O22 Sn12 O16 87.4(8) . . ?
O4 Sn12 O16 71.1(8) . . ?
O26 Sn12 O16 162.4(7) . . ?
O15 Sn12 O16 89.5(10) . . ?
C45 Sn12 O16 98.3(15) . . ?
O22 Sn12 Na1 60.5(5) . . ?
O4 Sn12 Na1 38.0(6) . . ?
O26 Sn12 Na1 67.7(5) . . ?
O15 Sn12 Na1 101.1(5) . . ?
C45 Sn12 Na1 156.2(11) . . ?
O16 Sn12 Na1 97.1(5) . . ?
O17 Sn13 O28 100.5(7) . . ?
O17 Sn13 O29 95.1(7) . . ?
O28 Sn13 O29 86.5(7) . . ?
O17 Sn13 C49 115.4(11) . . ?
O28 Sn13 C49 143.4(11) . . ?
O29 Sn13 C49 96.5(11) . . ?
O17 Sn13 O21 95.8(6) . . ?
O28 Sn13 O21 76.2(6) . . ?
O29 Sn13 O21 161.0(7) . . ?
C49 Sn13 O21 92.8(10) . . ?
O17 Sn13 Sn11 117.8(4) . . ?
O28 Sn13 Sn11 41.5(4) . . ?
O29 Sn13 Sn11 119.7(5) . . ?
C49 Sn13 Sn11 109.9(9) . . ?
O21 Sn13 Sn11 41.3(4) . . ?
O2 Na1 O3 109.5(7) . . ?
O2 Na1 O1 110.2(7) . . ?
O3 Na1 O1 108.1(5) . . ?
O2 Na1 O4 109.6(8) . . ?
O3 Na1 O4 109.8(7) . . ?
O1 Na1 O4 109.6(7) . . ?
O2 Na1 Sn3 123.0(5) . . ?
O3 Na1 Sn3 121.8(5) . . ?
O1 Na1 Sn3 33.6(4) . . ?
O4 Na1 Sn3 75.9(5) . . ?
O2 Na1 Sn9 123.4(5) . . ?
O3 Na1 Sn9 32.7(5) . . ?
O1 Na1 Sn9 120.2(5) . . ?
O4 Na1 Sn9 77.2(5) . . ?
Sn3 Na1 Sn9 113.3(3) . . ?
O2 Na1 Sn5 33.1(5) . . ?
O3 Na1 Sn5 91.9(5) . . ?
O1 Na1 Sn5 143.3(6) . . ?
O4 Na1 Sn5 91.0(5) . . ?
Sn3 Na1 Sn5 146.2(2) . . ?
Sn9 Na1 Sn5 93.39(18) . . ?
O2 Na1 Sn6 32.7(4) . . ?
O3 Na1 Sn6 142.1(6) . . ?
O1 Na1 Sn6 93.0(4) . . ?
O4 Na1 Sn6 91.1(5) . . ?
Sn3 Na1 Sn6 93.17(18) . . ?
Sn9 Na1 Sn6 146.8(2) . . ?
Sn5 Na1 Sn6 55.43(14) . . ?
O2 Na1 Sn7 76.7(5) . . ?
O3 Na1 Sn7 32.9(5) . . ?
O1 Na1 Sn7 123.8(5) . . ?
O4 Na1 Sn7 120.3(5) . . ?
Sn3 Na1 Sn7 150.9(2) . . ?
Sn9 Na1 Sn7 55.03(12) . . ?
Sn5 Na1 Sn7 62.04(16) . . ?
Sn6 Na1 Sn7 109.3(3) . . ?
O2 Na1 Sn4 31.1(5) . . ?
O3 Na1 Sn4 92.4(6) . . ?
O1 Na1 Sn4 92.5(5) . . ?
O4 Na1 Sn4 140.8(6) . . ?
Sn3 Na1 Sn4 119.7(2) . . ?
Sn9 Na1 Sn4 119.7(2) . . ?
Sn5 Na1 Sn4 55.23(17) . . ?
Sn6 Na1 Sn4 54.63(17) . . ?
Sn7 Na1 Sn4 64.71(19) . . ?
O2 Na1 Sn2 76.8(5) . . ?
O3 Na1 Sn2 124.0(5) . . ?
O1 Na1 Sn2 33.5(4) . . ?
O4 Na1 Sn2 120.2(5) . . ?
Sn3 Na1 Sn2 55.37(12) . . ?
Sn9 Na1 Sn2 149.6(2) . . ?
Sn5 Na1 Sn2 109.9(3) . . ?
Sn6 Na1 Sn2 62.40(15) . . ?
Sn7 Na1 Sn2 119.0(3) . . ?
Sn4 Na1 Sn2 64.33(19) . . ?
O2 Na1 Sn11 139.5(6) . . ?
O3 Na1 Sn11 93.5(6) . . ?
O1 Na1 Sn11 92.6(5) . . ?
O4 Na1 Sn11 29.9(5) . . ?
Sn3 Na1 Sn11 62.68(18) . . ?
Sn9 Na1 Sn11 63.83(19) . . ?
Sn5 Na1 Sn11 117.2(2) . . ?
Sn6 Na1 Sn11 117.2(2) . . ?
Sn7 Na1 Sn11 118.2(2) . . ?
Sn4 Na1 Sn11 170.6(2) . . ?
Sn2 Na1 Sn11 117.6(2) . . ?
Sn1 O1 Sn3 107.9(7) . . ?
Sn1 O1 Sn2 105.4(7) . . ?
Sn3 O1 Sn2 105.3(6) . . ?
Sn1 O1 Na1 119.2(6) . . ?
Sn3 O1 Na1 108.5(7) . . ?
Sn2 O1 Na1 109.7(7) . . ?
Sn4 O2 Sn6 107.2(10) . . ?
Sn4 O2 Sn5 108.2(9) . . ?
Sn6 O2 Sn5 106.7(7) . . ?
Sn4 O2 Na1 113.3(7) . . ?
Sn6 O2 Na1 111.0(9) . . ?
Sn5 O2 Na1 110.2(9) . . ?
Sn9 O3 Sn8 105.9(7) . . ?
Sn9 O3 Sn7 106.2(6) . . ?
Sn8 O3 Sn7 105.2(7) . . ?
Sn9 O3 Na1 110.4(7) . . ?
Sn8 O3 Na1 118.0(7) . . ?
Sn7 O3 Na1 110.4(7) . . ?
Sn11 O4 Sn10 108.8(10) . . ?
Sn11 O4 Sn12 109.9(9) . . ?
Sn10 O4 Sn12 105.9(7) . . ?
Sn11 O4 Na1 113.2(7) . . ?
Sn10 O4 Na1 109.7(9) . . ?
Sn12 O4 Na1 109.2(9) . . ?
C53 O5 Sn3 120.3(15) . . ?
C53 O5 Sn1 121.2(15) . . ?
Sn3 O5 Sn1 102.5(6) . . ?
C54 O6 Sn1 125.5(15) . . ?
C54 O6 Sn2 125.0(15) . . ?
Sn1 O6 Sn2 104.1(7) . . ?
C55 O7 Sn2 116.2(17) . . ?
C55 O7 Sn3 121.4(17) . . ?
Sn2 O7 Sn3 102.6(6) . . ?
C56 O8 Sn4 128(3) . . ?
C56 O8 Sn5 127(3) . . ?
Sn4 O8 Sn5 104.8(12) . . ?
C57 O9 Sn6 122.5(19) . . ?
C57 O9 Sn5 120(2) . . ?
Sn6 O9 Sn5 102.7(8) . . ?
C58 O10 Sn4 126(2) . . ?
C58 O10 Sn6 119(2) . . ?
Sn4 O10 Sn6 102.9(11) . . ?
C59 O11 Sn8 123.4(15) . . ?
C59 O11 Sn7 126.2(16) . . ?
Sn8 O11 Sn7 103.3(7) . . ?
Sn9 O12 Sn8 103.1(7) . . ?
C61 O13 Sn7 117.9(18) . . ?
C61 O13 Sn9 121.3(18) . . ?
Sn7 O13 Sn9 101.8(6) . . ?
C62 O14 Sn11 130(2) . . ?
C62 O14 Sn10 114(2) . . ?
Sn11 O14 Sn10 100.8(10) . . ?
C63 O15 Sn12 120(2) . . ?
C63 O15 Sn10 119(2) . . ?
Sn12 O15 Sn10 102.5(7) . . ?
C64 O16 Sn11 132(3) . . ?
C64 O16 Sn12 125(2) . . ?
Sn11 O16 Sn12 102.3(11) . . ?
Sn13 O17 Sn1 131.2(7) . . ?
Sn13 O17 Sn8 126.6(7) . . ?
Sn1 O17 Sn8 99.0(6) . . ?
Sn1 O18 Sn8 102.7(7) . . ?
Sn2 O19 Sn4 134.9(8) . . ?
Sn6 O20 Sn2 138.8(11) . . ?
Sn3 O21 Sn11 132.0(8) . . ?
Sn3 O21 Sn13 130.2(7) . . ?
Sn11 O21 Sn13 95.4(6) . . ?
Sn12 O22 Sn3 138.0(11) . . ?
Sn4 O23 Sn7 135.4(8) . . ?
Sn7 O24 Sn5 135.6(12) . . ?
Sn10 O25 Sn5 137.1(8) . . ?
Sn6 O26 Sn12 135.0(10) . . ?
Sn10 O27 Sn9 139.9(12) . . ?
Sn13 O28 Sn9 126.1(7) . . ?
Sn13 O28 Sn11 98.7(7) . . ?
Sn9 O28 Sn11 132.1(8) . . ?
C65 O29 Sn13 130(2) . . ?
C2 C1 Sn1 115.0(14) . . ?
C2 C1 H1A 108.5 . . ?
Sn1 C1 H1A 108.5 . . ?
C2 C1 H1B 108.5 . . ?
Sn1 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
C3 C2 C1 114.3(19) . . ?
C3 C2 H2A 108.7 . . ?
C1 C2 H2A 108.7 . . ?
C3 C2 H2B 108.7 . . ?
C1 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
C2 C3 C4 109(2) . . ?
C2 C3 H3A 109.9 . . ?
C4 C3 H3A 109.9 . . ?
C2 C3 H3B 109.9 . . ?
C4 C3 H3B 109.9 . . ?
H3A C3 H3B 108.3 . . ?
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 Sn2 127(2) . . ?
C6 C5 H5A 105.5 . . ?
Sn2 C5 H5A 105.5 . . ?
C6 C5 H5B 105.5 . . ?
Sn2 C5 H5B 105.5 . . ?
H5A C5 H5B 106.0 . . ?
C5 C6 C7 121(4) . . ?
C5 C6 H6A 107.0 . . ?
C7 C6 H6A 107.0 . . ?
C5 C6 H6B 107.0 . . ?
C7 C6 H6B 107.0 . . ?
H6A C6 H6B 106.8 . . ?
C8 C7 C6 109(4) . . ?
C8 C7 H7A 109.8 . . ?
C6 C7 H7A 109.8 . . ?
C8 C7 H7B 109.8 . . ?
C6 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 Sn3 114.0(17) . . ?
C10 C9 H9A 108.7 . . ?
Sn3 C9 H9A 108.7 . . ?
C10 C9 H9B 108.7 . . ?
Sn3 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C9 C10 C11 110(3) . . ?
C9 C10 H10A 109.7 . . ?
C11 C10 H10A 109.7 . . ?
C9 C10 H10B 109.7 . . ?
C11 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C12 C11 C10 106(3) . . ?
C12 C11 H11A 110.5 . . ?
C10 C11 H11A 110.5 . . ?
C12 C11 H11B 110.5 . . ?
C10 C11 H11B 110.5 . . ?
H11A C11 H11B 108.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Sn4 120(3) . . ?
C14 C13 H13A 107.2 . . ?
Sn4 C13 H13A 107.2 . . ?
C14 C13 H13B 107.2 . . ?
Sn4 C13 H13B 107.2 . . ?
H13A C13 H13B 106.9 . . ?
C13 C14 C15 129(5) . . ?
C13 C14 H14A 105.1 . . ?
C15 C14 H14A 105.1 . . ?
C13 C14 H14B 105.1 . . ?
C15 C14 H14B 105.1 . . ?
H14A C14 H14B 105.9 . . ?
C16 C15 C14 113(5) . . ?
C16 C15 H15A 109.0 . . ?
C14 C15 H15A 109.0 . . ?
C16 C15 H15B 109.0 . . ?
C14 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 Sn5 115(2) . . ?
C18 C17 H17A 108.6 . . ?
Sn5 C17 H17A 108.6 . . ?
C18 C17 H17B 108.6 . . ?
Sn5 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
C17 C18 C19 108(3) . . ?
C17 C18 H18A 110.0 . . ?
C19 C18 H18A 110.0 . . ?
C17 C18 H18B 110.0 . . ?
C19 C18 H18B 110.0 . . ?
H18A C18 H18B 108.4 . . ?
C20 C19 C18 106(3) . . ?
C20 C19 H19A 110.6 . . ?
C18 C19 H19A 110.6 . . ?
C20 C19 H19B 110.6 . . ?
C18 C19 H19B 110.6 . . ?
H19A C19 H19B 108.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Sn6 116.6(18) . . ?
C22 C21 H21A 108.1 . . ?
Sn6 C21 H21A 108.1 . . ?
C22 C21 H21B 108.1 . . ?
Sn6 C21 H21B 108.1 . . ?
H21A C21 H21B 107.3 . . ?
C21 C22 C23 113(3) . . ?
C21 C22 H22A 109.0 . . ?
C23 C22 H22A 109.0 . . ?
C21 C22 H22B 109.0 . . ?
C23 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C24 C23 C22 113(4) . . ?
C24 C23 H23A 109.1 . . ?
C22 C23 H23A 109.1 . . ?
C24 C23 H23B 109.1 . . ?
C22 C23 H23B 109.1 . . ?
H23A C23 H23B 107.8 . . ?
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 . . ?
C26 C25 Sn7 111(2) . . ?
C26 C25 H25A 109.5 . . ?
Sn7 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
Sn7 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C25 C26 C27A 112(4) . . ?
C25 C26 C27 112(4) . . ?
C25 C26 H26A 109.2 . . ?
C27 C26 H26A 109.2 . . ?
C25 C26 H26B 109.2 . . ?
C27 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C28 C27 C26 109.7(19) . . ?
C28 C27 H27A 109.7 . . ?
C26 C27 H27A 109.7 . . ?
C28 C27 H27B 109.7 . . ?
C26 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C28A C27A C26 110(2) . . ?
C28A C27A H27C 109.7 . . ?
C26 C27A H27C 109.7 . . ?
C28A C27A H27D 109.7 . . ?
C26 C27A H27D 109.7 . . ?
H27C C27A H27D 108.2 . . ?
C27A C28A C36A 123(10) . 3_567 ?
C27A C28A H28D 109.5 . . ?
C36A C28A H28D 97.0 3_567 . ?
C27A C28A H28E 109.5 . . ?
C36A C28A H28E 15.3 3_567 . ?
H28D C28A H28E 109.5 . . ?
C27A C28A H28F 109.5 . . ?
C36A C28A H28F 107.0 3_567 . ?
H28D C28A H28F 109.5 . . ?
H28E C28A H28F 109.5 . . ?
C30 C29 Sn8 115.4(17) . . ?
C30 C29 H29A 108.4 . . ?
Sn8 C29 H29A 108.4 . . ?
C30 C29 H29B 108.4 . . ?
Sn8 C29 H29B 108.4 . . ?
H29A C29 H29B 107.5 . . ?
C29 C30 C31 112(3) . . ?
C29 C30 H30A 109.3 . . ?
C31 C30 H30A 109.3 . . ?
C29 C30 H30B 109.3 . . ?
C31 C30 H30B 109.3 . . ?
H30A C30 H30B 107.9 . . ?
C32 C31 C30 103(3) . . ?
C32 C31 H31A 111.3 . . ?
C30 C31 H31A 111.3 . . ?
C32 C31 H31B 111.3 . . ?
C30 C31 H31B 111.3 . . ?
H31A C31 H31B 109.2 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 Sn9 116(3) . . ?
C34 C33 H33A 108.4 . . ?
Sn9 C33 H33A 108.4 . . ?
C34 C33 H33B 108.4 . . ?
Sn9 C33 H33B 108.4 . . ?
H33A C33 H33B 107.4 . . ?
C33 C34 C35A 108(6) . . ?
C33 C34 C35 108(6) . . ?
C33 C34 H34A 110.0 . . ?
C35 C34 H34A 110.0 . . ?
C33 C34 H34B 110.0 . . ?
C35 C34 H34B 110.0 . . ?
H34A C34 H34B 108.4 . . ?
C36 C35 C34 111(2) . . ?
C36 C35 H35A 109.4 . . ?
C34 C35 H35A 109.4 . . ?
C36 C35 H35B 109.4 . . ?
C34 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C36A C35A C34 111(2) . . ?
C36A C35A H35C 109.5 . . ?
C34 C35A H35C 109.5 . . ?
C36A C35A H35D 109.5 . . ?
C34 C35A H35D 109.5 . . ?
H35C C35A H35D 108.1 . . ?
C35A C36A C28A 134(10) . 3_567 ?
C35A C36A H36D 109.5 . . ?
C28A C36A H36D 107.6 3_567 . ?
C35A C36A H36E 109.5 . . ?
C28A C36A H36E 30.1 3_567 . ?
H36D C36A H36E 109.5 . . ?
C35A C36A H36F 109.5 . . ?
C28A C36A H36F 82.6 3_567 . ?
H36D C36A H36F 109.5 . . ?
H36E C36A H36F 109.5 . . ?
C38 C37 Sn10 117(2) . . ?
C38 C37 H37A 108.1 . . ?
Sn10 C37 H37A 108.1 . . ?
C38 C37 H37B 108.1 . . ?
Sn10 C37 H37B 108.1 . . ?
H37A C37 H37B 107.3 . . ?
C37 C38 C39 110.5(19) . . ?
C37 C38 H38A 109.6 . . ?
C39 C38 H38A 109.6 . . ?
C37 C38 H38B 109.6 . . ?
C39 C38 H38B 109.6 . . ?
H38A C38 H38B 108.1 . . ?
C40 C39 C38 110(2) . . ?
C40 C39 H39A 109.6 . . ?
C38 C39 H39A 109.6 . . ?
C40 C39 H39B 109.6 . . ?
C38 C39 H39B 109.6 . . ?
H39A C39 H39B 108.2 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 Sn11 113(2) . . ?
C42 C41 H41A 109.0 . . ?
Sn11 C41 H41A 109.0 . . ?
C42 C41 H41B 109.0 . . ?
Sn11 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
C41 C42 C43 113(3) . . ?
C41 C42 H42A 109.1 . . ?
C43 C42 H42A 109.1 . . ?
C41 C42 H42B 109.1 . . ?
C43 C42 H42B 109.1 . . ?
H42A C42 H42B 107.8 . . ?
C44 C43 C42 109(4) . . ?
C44 C43 H43A 110.0 . . ?
C42 C43 H43A 110.0 . . ?
C44 C43 H43B 110.0 . . ?
C42 C43 H43B 110.0 . . ?
H43A C43 H43B 108.3 . . ?
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 . . ?
C46 C45 Sn12 115.3(19) . . ?
C46 C45 H45A 108.4 . . ?
Sn12 C45 H45A 108.4 . . ?
C46 C45 H45B 108.4 . . ?
Sn12 C45 H45B 108.4 . . ?
H45A C45 H45B 107.5 . . ?
C45 C46 C47 115(3) . . ?
C45 C46 H46A 108.4 . . ?
C47 C46 H46A 108.4 . . ?
C45 C46 H46B 108.4 . . ?
C47 C46 H46B 108.4 . . ?
H46A C46 H46B 107.5 . . ?
C48 C47 C46 109(3) . . ?
C48 C47 H47A 109.9 . . ?
C46 C47 H47A 109.9 . . ?
C48 C47 H47B 109.9 . . ?
C46 C47 H47B 109.9 . . ?
H47A C47 H47B 108.3 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 Sn13 124(3) . . ?
C50 C49 H49A 106.4 . . ?
Sn13 C49 H49A 106.4 . . ?
C50 C49 H49B 106.4 . . ?
Sn13 C49 H49B 106.4 . . ?
H49A C49 H49B 106.5 . . ?
C49 C50 C51 123(5) . . ?
C49 C50 H50A 106.6 . . ?
C51 C50 H50A 106.6 . . ?
C49 C50 H50B 106.5 . . ?
C51 C50 H50B 106.5 . . ?
H50A C50 H50B 106.5 . . ?
C50 C51 C52 116(5) . . ?
C50 C51 H51A 108.3 . . ?
C52 C51 H51A 108.3 . . ?
C50 C51 H51B 108.2 . . ?
C52 C51 H51B 108.3 . . ?
H51A C51 H51B 107.4 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O5 C53 H53A 109.5 . . ?
O5 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
O5 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O6 C54 H54A 109.5 . . ?
O6 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
O6 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O7 C55 H55A 109.5 . . ?
O7 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O7 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O8 C56 H56A 109.5 . . ?
O8 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
O8 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O9 C57 H57A 109.5 . . ?
O9 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
O9 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
O10 C58 H58A 109.5 . . ?
O10 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O10 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O11 C59 H59A 109.5 . . ?
O11 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
O11 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O13 C61 H61A 109.5 . . ?
O13 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
O13 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O14 C62 H62A 109.5 . . ?
O14 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
O14 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
O15 C63 H63A 109.5 . . ?
O15 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
O15 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O16 C64 H64A 109.5 . . ?
O16 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
O16 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
O29 C65 H65A 109.5 . . ?
O29 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
O29 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 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
Sn1 C1 C2 C3 176(2) . . . . ?
C1 C2 C3 C4 -179(4) . . . . ?
Sn2 C5 C6 C7 168(4) . . . . ?
C5 C6 C7 C8 161(6) . . . . ?
Sn3 C9 C10 C11 176(2) . . . . ?
C9 C10 C11 C12 -172(3) . . . . ?
Sn4 C13 C14 C15 174(4) . . . . ?
C13 C14 C15 C16 -178(5) . . . . ?
Sn5 C17 C18 C19 -179(4) . . . . ?
C17 C18 C19 C20 170(6) . . . . ?
Sn6 C21 C22 C23 -176(4) . . . . ?
C21 C22 C23 C24 131(7) . . . . ?
Sn7 C25 C26 C27A 176(6) . . . . ?
Sn7 C25 C26 C27 176(6) . . . . ?
C25 C26 C27 C28 -33(15) . . . . ?
C25 C26 C27A C28A 177(10) . . . . ?
C26 C27A C28A C36A -67(14) . . . 3_567 ?
Sn8 C29 C30 C31 179(3) . . . . ?
C29 C30 C31 C32 -171(5) . . . . ?
Sn9 C33 C34 C35A 177(5) . . . . ?
Sn9 C33 C34 C35 177(5) . . . . ?
C33 C34 C35 C36 -68(12) . . . . ?
C33 C34 C35A C36A -157(13) . . . . ?
C34 C35A C36A C28A -39(20) . . . 3_567 ?
Sn10 C37 C38 C39 -173(4) . . . . ?
C37 C38 C39 C40 -62(8) . . . . ?
Sn11 C41 C42 C43 177(3) . . . . ?
C41 C42 C43 C44 -180(5) . . . . ?
Sn12 C45 C46 C47 -168(5) . . . . ?
C45 C46 C47 C48 172(8) . . . . ?
Sn13 C49 C50 C51 -177(7) . . . . ?
C49 C50 C51 C52 -168(9) . . . . ?

_refine_diff_density_max         2.033
_refine_diff_density_min         -1.744
_refine_diff_density_rms         0.189

