#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/98/7019850.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7019850
loop_
_publ_author_name
'Boyle, Timothy J.'
'Doan, Thu Q.'
'Steele, Leigh Anna M.'
'Apblett, Christopher'
'Hoppe, Sarah M.'
'Hawthorne, Krista'
'Kalinich, Robin M.'
'Sigmund, Wolfgang M.'
_publ_section_title
;
 Tin(ii) amide/alkoxide coordination compounds for production of Sn-based
 nanowires for lithium ion battery anode materials.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9349
_journal_page_last               9364
_journal_paper_doi               10.1039/c2dt30772c
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C70 H70 O10 Sn5'
_chemical_formula_sum            'C70 H70 O10 Sn5'
_chemical_formula_weight         1664.71
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.731(2)
_cell_angle_beta                 92.217(2)
_cell_angle_gamma                111.074(2)
_cell_formula_units_Z            2
_cell_length_a                   11.166(2)
_cell_length_b                   12.382(2)
_cell_length_c                   26.605(5)
_cell_measurement_reflns_used    9995
_cell_measurement_temperature    188(2)
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      2.19
_cell_volume                     3363.1(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      188(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0285
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            24912
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    1.887
_exptl_absorpt_correction_T_max  0.660
_exptl_absorpt_correction_T_min  0.420
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.22
_platon_squeeze_details
;
;
_refine_diff_density_max         2.676
_refine_diff_density_min         -1.369
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     716
_refine_ls_number_reflns         12167
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0377P)²+7.8821P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0874
_reflns_number_gt                10471
_reflns_number_total             12167
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30772c.txt
_cod_data_source_block           11my231_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3363.0(11)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7019850
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sn1 Sn 0.16708(3) 0.08203(3) 0.488215(11) 0.03158(8) Uani 1 1 d .
Sn2 Sn 0.13886(3) 0.06648(3) 0.349017(11) 0.02962(8) Uani 1 1 d .
Sn3 Sn 0.44991(3) 0.14838(3) 0.296940(11) 0.03010(8) Uani 1 1 d .
Sn4 Sn 0.42451(3) 0.09199(3) 0.157125(11) 0.03039(8) Uani 1 1 d .
Sn5 Sn 0.62507(3) 0.09070(3) 0.053171(12) 0.04004(9) Uani 1 1 d .
O1 O 0.0120(3) -0.0852(3) 0.46778(11) 0.0339(7) Uani 1 1 d .
O2 O 0.2503(3) 0.0368(3) 0.40933(11) 0.0313(6) Uani 1 1 d .
O3 O 0.0993(3) 0.1495(3) 0.42975(11) 0.0343(7) Uani 1 1 d .
O4 O 0.2948(3) 0.2214(3) 0.34141(11) 0.0343(7) Uani 1 1 d .
O5 O 0.2612(3) 0.0141(3) 0.28216(11) 0.0319(6) Uani 1 1 d .
O6 O 0.4304(3) 0.2312(2) 0.23398(11) 0.0321(6) Uani 1 1 d .
O7 O 0.5049(3) 0.0562(3) 0.22393(10) 0.0334(7) Uani 1 1 d .
O8 O 0.5199(3) -0.0194(3) 0.10207(11) 0.0354(7) Uani 1 1 d .
O9 O 0.5994(3) 0.2037(3) 0.12980(11) 0.0380(7) Uani 1 1 d .
O10 O 0.4473(3) 0.0766(3) 0.01517(12) 0.0412(8) Uani 1 1 d .
C1 C -0.0068(3) -0.1734(2) 0.42519(10) 0.0380(11) Uani 1 1 d G
C2 C -0.0982(3) -0.1850(3) 0.38562(13) 0.0553(14) Uani 1 1 d G
H2 H -0.1423 -0.1318 0.3880 0.066 Uiso 1 1 calc R
C3 C -0.1252(3) -0.2745(3) 0.34262(11) 0.0673(17) Uani 1 1 d G
H3 H -0.1877 -0.2824 0.3156 0.081 Uiso 1 1 calc R
C4 C -0.0607(4) -0.3524(3) 0.33919(12) 0.0677(17) Uani 1 1 d G
H4 H -0.0791 -0.4135 0.3098 0.081 Uiso 1 1 calc R
C5 C 0.0308(3) -0.3408(3) 0.37876(14) 0.0577(15) Uani 1 1 d G
H5 H 0.0749 -0.3940 0.3764 0.069 Uiso 1 1 calc R
C6 C 0.0577(3) -0.2513(3) 0.42176(11) 0.0478(12) Uani 1 1 d G
C7 C 0.1612(6) -0.2341(5) 0.4621(2) 0.0561(14) Uani 1 1 d .
H7A H 0.1846 -0.3039 0.4575 0.084 Uiso 1 1 calc R
H7B H 0.1306 -0.2224 0.4959 0.084 Uiso 1 1 calc R
H7C H 0.2369 -0.1645 0.4597 0.084 Uiso 1 1 calc R
C8 C 0.3443(4) -0.0101(4) 0.40116(16) 0.0320(9) Uani 1 1 d .
C9 C 0.3172(5) -0.1128(4) 0.36504(18) 0.0401(11) Uani 1 1 d .
H9 H 0.2340 -0.1505 0.3463 0.048 Uiso 1 1 calc R
C10 C 0.4106(6) -0.1610(5) 0.3561(2) 0.0575(15) Uani 1 1 d .
H10 H 0.3914 -0.2315 0.3313 0.069 Uiso 1 1 calc R
C11 C 0.5316(6) -0.1068(6) 0.3831(2) 0.0648(17) Uani 1 1 d .
H11 H 0.5960 -0.1394 0.3771 0.078 Uiso 1 1 calc R
C12 C 0.5577(5) -0.0059(6) 0.4187(2) 0.0538(14) Uani 1 1 d .
H12 H 0.6411 0.0307 0.4372 0.065 Uiso 1 1 calc R
C13 C 0.4669(4) 0.0455(4) 0.42885(18) 0.0400(11) Uani 1 1 d .
C14 C 0.5044(5) 0.1573(5) 0.4689(2) 0.0513(13) Uani 1 1 d .
H14A H 0.4975 0.1374 0.5031 0.077 Uiso 1 1 calc R
H14B H 0.4466 0.1987 0.4632 0.077 Uiso 1 1 calc R
H14C H 0.5936 0.2082 0.4665 0.077 Uiso 1 1 calc R
C15 C 0.0200(4) 0.2116(4) 0.42733(16) 0.0328(10) Uani 1 1 d .
C16 C -0.1014(4) 0.1558(4) 0.39848(17) 0.0380(10) Uani 1 1 d .
H16 H -0.1313 0.0739 0.3839 0.046 Uiso 1 1 calc R
C17 C -0.1778(5) 0.2204(5) 0.39120(19) 0.0471(12) Uani 1 1 d .
H17 H -0.2603 0.1823 0.3719 0.057 Uiso 1 1 calc R
C18 C -0.1348(5) 0.3387(5) 0.4117(2) 0.0514(13) Uani 1 1 d .
H18 H -0.1855 0.3834 0.4056 0.062 Uiso 1 1 calc R
C19 C -0.0172(5) 0.3922(5) 0.44120(19) 0.0470(12) Uani 1 1 d .
H19 H 0.0113 0.4740 0.4556 0.056 Uiso 1 1 calc R
C20 C 0.0611(4) 0.3312(4) 0.45079(17) 0.0361(10) Uani 1 1 d .
C21 C 0.1846(5) 0.3895(4) 0.48610(18) 0.0448(12) Uani 1 1 d .
H21A H 0.2067 0.4751 0.4936 0.067 Uiso 1 1 calc R
H21B H 0.2541 0.3718 0.4696 0.067 Uiso 1 1 calc R
H21C H 0.1734 0.3597 0.5181 0.067 Uiso 1 1 calc R
C22 C 0.3362(4) 0.3355(4) 0.36828(16) 0.0333(10) Uani 1 1 d .
C23 C 0.4465(5) 0.3785(5) 0.40352(19) 0.0485(12) Uani 1 1 d .
H23 H 0.4884 0.3275 0.4108 0.058 Uiso 1 1 calc R
C24 C 0.4946(5) 0.4965(6) 0.4279(2) 0.0628(17) Uani 1 1 d .
H24 H 0.5697 0.5259 0.4519 0.075 Uiso 1 1 calc R
C25 C 0.4350(6) 0.5712(5) 0.4178(3) 0.0673(18) Uani 1 1 d .
H25 H 0.4690 0.6521 0.4340 0.081 Uiso 1 1 calc R
C26 C 0.3259(6) 0.5268(5) 0.3840(2) 0.0532(14) Uani 1 1 d .
H26 H 0.2843 0.5786 0.3775 0.064 Uiso 1 1 calc R
C27 C 0.2726(5) 0.4101(4) 0.35864(17) 0.0380(10) Uani 1 1 d .
C28 C 0.1534(5) 0.3650(5) 0.3217(2) 0.0486(13) Uani 1 1 d .
H28A H 0.0815 0.3127 0.3367 0.073 Uiso 1 1 calc R
H28B H 0.1678 0.3211 0.2898 0.073 Uiso 1 1 calc R
H28C H 0.1325 0.4316 0.3144 0.073 Uiso 1 1 calc R
C29 C 0.1853(4) -0.0262(4) 0.23562(16) 0.0343(10) Uani 1 1 d .
C30 C 0.1319(4) 0.0472(4) 0.21672(18) 0.0395(11) Uani 1 1 d .
H30 H 0.1477 0.1237 0.2361 0.047 Uiso 1 1 calc R
C31 C 0.0566(5) 0.0096(5) 0.1702(2) 0.0522(13) Uani 1 1 d .
H31 H 0.0207 0.0600 0.1576 0.063 Uiso 1 1 calc R
C32 C 0.0334(5) -0.1024(6) 0.1419(2) 0.0570(14) Uani 1 1 d .
H32 H -0.0166 -0.1284 0.1094 0.068 Uiso 1 1 calc R
C33 C 0.0832(5) -0.1753(5) 0.1612(2) 0.0511(13) Uani 1 1 d .
H33 H 0.0661 -0.2521 0.1418 0.061 Uiso 1 1 calc R
C34 C 0.1584(4) -0.1398(4) 0.20849(18) 0.0396(11) Uani 1 1 d .
C35 C 0.2062(6) -0.2239(5) 0.2298(2) 0.0543(14) Uani 1 1 d .
H35A H 0.2924 -0.1802 0.2483 0.081 Uiso 1 1 calc R
H35B H 0.2105 -0.2841 0.2016 0.081 Uiso 1 1 calc R
H35C H 0.1469 -0.2620 0.2533 0.081 Uiso 1 1 calc R
C36 C 0.4028(5) 0.3304(4) 0.23282(18) 0.0393(11) Uani 1 1 d .
C37 C 0.3038(5) 0.3251(5) 0.1985(2) 0.0515(13) Uani 1 1 d .
H37 H 0.2530 0.2521 0.1768 0.062 Uiso 1 1 calc R
C38 C 0.2781(7) 0.4260(7) 0.1956(3) 0.071(2) Uani 1 1 d .
H38 H 0.2101 0.4221 0.1719 0.085 Uiso 1 1 calc R
C39 C 0.3519(8) 0.5318(7) 0.2273(3) 0.081(2) Uani 1 1 d .
H39 H 0.3339 0.6007 0.2260 0.097 Uiso 1 1 calc R
C40 C 0.4504(8) 0.5370(5) 0.2605(3) 0.071(2) Uani 1 1 d .
H40 H 0.4996 0.6105 0.2822 0.085 Uiso 1 1 calc R
C41 C 0.4825(6) 0.4397(4) 0.2641(2) 0.0502(14) Uani 1 1 d .
C42 C 0.5990(6) 0.4513(5) 0.2968(2) 0.0613(16) Uani 1 1 d .
H42A H 0.6342 0.5299 0.3188 0.092 Uiso 1 1 calc R
H42B H 0.6642 0.4406 0.2749 0.092 Uiso 1 1 calc R
H42C H 0.5757 0.3911 0.3181 0.092 Uiso 1 1 calc R
C43 C 0.6001(5) 0.0124(4) 0.23305(17) 0.0371(10) Uani 1 1 d .
C44 C 0.5701(5) -0.1064(5) 0.22574(19) 0.0451(12) Uani 1 1 d .
H44 H 0.4841 -0.1587 0.2136 0.054 Uiso 1 1 calc R
C45 C 0.6636(6) -0.1524(5) 0.2358(2) 0.0520(13) Uani 1 1 d .
H45 H 0.6416 -0.2354 0.2309 0.062 Uiso 1 1 calc R
C46 C 0.7894(6) -0.0755(5) 0.2531(2) 0.0556(14) Uani 1 1 d .
H46 H 0.8542 -0.1056 0.2599 0.067 Uiso 1 1 calc R
C47 C 0.8198(5) 0.0441(5) 0.2604(2) 0.0496(13) Uani 1 1 d .
H47 H 0.9063 0.0957 0.2720 0.060 Uiso 1 1 calc R
C48 C 0.7279(5) 0.0922(4) 0.25142(18) 0.0405(11) Uani 1 1 d .
C49 C 0.7643(5) 0.2243(5) 0.2616(2) 0.0506(13) Uani 1 1 d .
H49A H 0.7405 0.2501 0.2953 0.076 Uiso 1 1 calc R
H49B H 0.7185 0.2455 0.2350 0.076 Uiso 1 1 calc R
H49C H 0.8576 0.2631 0.2610 0.076 Uiso 1 1 calc R
C50 C 0.4780(5) -0.1390(4) 0.09862(16) 0.0374(10) Uani 1 1 d .
C51 C 0.3472(6) -0.2053(5) 0.0928(2) 0.0531(14) Uani 1 1 d .
H51 H 0.2870 -0.1691 0.0876 0.064 Uiso 1 1 calc R
C52 C 0.3034(9) -0.3239(6) 0.0945(3) 0.086(2) Uani 1 1 d .
H52 H 0.2132 -0.3684 0.0914 0.103 Uiso 1 1 calc R
C53 C 0.3877(12) -0.3769(6) 0.1007(3) 0.101(3) Uani 1 1 d .
H53 H 0.3571 -0.4584 0.1021 0.121 Uiso 1 1 calc R
C54 C 0.5195(10) -0.3123(7) 0.1049(2) 0.084(3) Uani 1 1 d .
H54 H 0.5784 -0.3506 0.1086 0.101 Uiso 1 1 calc R
C55 C 0.5669(6) -0.1925(5) 0.10366(18) 0.0540(14) Uani 1 1 d .
C56 C 0.7095(7) -0.1221(7) 0.1093(2) 0.078(2) Uani 1 1 d .
H56A H 0.7338 -0.0937 0.0775 0.117 Uiso 1 1 calc R
H56B H 0.7567 -0.1721 0.1162 0.117 Uiso 1 1 calc R
H56C H 0.7311 -0.0545 0.1378 0.117 Uiso 1 1 calc R
C57 C 0.6777(9) 0.3198(8) 0.1482(3) 0.0942(11) Uani 1 1 d .
C58 C 0.8124(5) 0.3533(5) 0.1587(2) 0.0519(13) Uani 1 1 d .
C59 C 0.8854(6) 0.4717(6) 0.1787(2) 0.0681(17) Uani 1 1 d .
H59 H 0.9759 0.4947 0.1867 0.082 Uiso 1 1 calc R
C60 C 0.8329(7) 0.5555(6) 0.1872(2) 0.073(2) Uani 1 1 d .
H60 H 0.8855 0.6352 0.2015 0.087 Uiso 1 1 calc R
C61 C 0.7023(7) 0.5232(5) 0.1749(2) 0.0615(17) Uani 1 1 d .
H61 H 0.6648 0.5815 0.1800 0.074 Uiso 1 1 calc R
C62 C 0.6250(5) 0.4064(4) 0.15505(18) 0.0432(11) Uani 1 1 d .
H62 H 0.5352 0.3855 0.1461 0.052 Uiso 1 1 calc R
C63 C 0.8778(6) 0.2646(6) 0.1503(2) 0.0674(17) Uani 1 1 d .
H63A H 0.9021 0.2569 0.1153 0.101 Uiso 1 1 calc R
H63B H 0.8182 0.1879 0.1554 0.101 Uiso 1 1 calc R
H63C H 0.9553 0.2917 0.1748 0.101 Uiso 1 1 calc R
C64 C 0.3628(5) 0.1300(5) 0.02872(17) 0.0942(11) Uani 1 1 d G
C65 C 0.2392(6) 0.0590(4) 0.03655(17) 0.0942(11) Uani 1 1 d G
H65 H 0.2173 -0.0235 0.0339 0.113 Uiso 1 1 calc R
C66 C 0.1476(4) 0.1086(5) 0.04821(17) 0.0942(11) Uani 1 1 d G
H66 H 0.0632 0.0601 0.0536 0.113 Uiso 1 1 calc R
C67 C 0.1796(5) 0.2293(5) 0.05204(16) 0.0942(11) Uani 1 1 d G
H67 H 0.1170 0.2632 0.0600 0.113 Uiso 1 1 calc R
C68 C 0.3032(5) 0.3003(4) 0.04421(17) 0.0942(11) Uani 1 1 d G
H68 H 0.3251 0.3828 0.0468 0.113 Uiso 1 1 calc R
C69 C 0.3948(4) 0.2506(5) 0.03255(17) 0.0942(11) Uani 1 1 d G
C70 C 0.5184(11) 0.3214(8) 0.0255(3) 0.120(4) Uani 1 1 d .
H70A H 0.5210 0.4005 0.0236 0.180 Uiso 1 1 calc R
H70B H 0.5430 0.2870 -0.0065 0.180 Uiso 1 1 calc R
H70C H 0.5789 0.3266 0.0543 0.180 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O3 Sn1 O1 92.59(12) . .
O3 Sn1 O1 88.91(11) . 2_556
O1 Sn1 O1 69.94(12) . 2_556
O3 Sn1 O2 69.10(10) . .
O1 Sn1 O2 88.56(10) . .
O1 Sn1 O2 148.78(10) 2_556 .
O4 Sn2 O2 91.54(12) . .
O4 Sn2 O3 94.38(11) . .
O2 Sn2 O3 69.39(10) . .
O4 Sn2 O5 71.41(10) . .
O2 Sn2 O5 94.17(10) . .
O3 Sn2 O5 158.38(10) . .
O5 Sn3 O6 96.05(11) . .
O5 Sn3 O7 88.84(11) . .
O6 Sn3 O7 70.25(10) . .
O5 Sn3 O4 70.18(10) . .
O6 Sn3 O4 90.21(10) . .
O7 Sn3 O4 149.93(10) . .
O7 Sn4 O9 100.67(12) . .
O7 Sn4 O8 91.56(10) . .
O9 Sn4 O8 67.50(11) . .
O7 Sn4 O6 68.00(10) . .
O9 Sn4 O6 96.92(10) . .
O8 Sn4 O6 152.18(10) . .
O8 Sn5 O10 89.18(12) . .
O8 Sn5 O9 68.91(11) . .
O10 Sn5 O9 93.56(11) . .
O8 Sn5 O10 88.50(11) . 2_655
O10 Sn5 O10 70.43(13) . 2_655
O9 Sn5 O10 152.83(11) . 2_655
C1 O1 Sn1 128.2(2) . .
C1 O1 Sn1 119.0(2) . 2_556
Sn1 O1 Sn1 110.05(12) . 2_556
C8 O2 Sn2 124.0(2) . .
C8 O2 Sn1 128.0(2) . .
Sn2 O2 Sn1 107.77(11) . .
C15 O3 Sn1 134.7(2) . .
C15 O3 Sn2 113.8(2) . .
Sn1 O3 Sn2 110.35(12) . .
C22 O4 Sn2 131.7(2) . .
C22 O4 Sn3 119.7(2) . .
Sn2 O4 Sn3 104.74(11) . .
C29 O5 Sn3 125.8(2) . .
C29 O5 Sn2 109.9(2) . .
Sn3 O5 Sn2 106.17(11) . .
C36 O6 Sn3 130.6(3) . .
C36 O6 Sn4 122.8(3) . .
Sn3 O6 Sn4 105.67(11) . .
C43 O7 Sn4 134.2(2) . .
C43 O7 Sn3 114.0(2) . .
Sn4 O7 Sn3 110.27(12) . .
C50 O8 Sn5 131.4(3) . .
C50 O8 Sn4 119.4(3) . .
Sn5 O8 Sn4 107.14(12) . .
C57 O9 Sn4 130.3(4) . .
C57 O9 Sn5 123.5(4) . .
Sn4 O9 Sn5 105.94(12) . .
C64 O10 Sn5 131.5(3) . .
C64 O10 Sn5 117.6(3) . 2_655
Sn5 O10 Sn5 109.57(13) . 2_655
O1 C1 C2 117.1(2) . .
O1 C1 C6 122.9(2) . .
C2 C1 C6 120.0 . .
C3 C2 C1 120.0 . .
C3 C2 H2 120.0 . .
C1 C2 H2 120.0 . .
C4 C3 C2 120.0 . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 120.0 . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C6 C5 C4 120.0 . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C1 120.0 . .
C5 C6 C7 119.9(3) . .
C1 C6 C7 120.0(3) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
O2 C8 C9 119.6(4) . .
O2 C8 C13 120.6(4) . .
C9 C8 C13 119.9(4) . .
C8 C9 C10 120.4(5) . .
C8 C9 H9 119.8 . .
C10 C9 H9 119.8 . .
C11 C10 C9 120.1(5) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C12 C11 C10 119.3(5) . .
C12 C11 H11 120.4 . .
C10 C11 H11 120.4 . .
C11 C12 C13 122.5(5) . .
C11 C12 H12 118.7 . .
C13 C12 H12 118.7 . .
C12 C13 C8 117.8(5) . .
C12 C13 C14 118.8(5) . .
C8 C13 C14 123.3(4) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O3 C15 C16 119.0(4) . .
O3 C15 C20 121.1(4) . .
C16 C15 C20 119.8(4) . .
C17 C16 C15 120.0(5) . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C18 C17 C16 120.4(5) . .
C18 C17 H17 119.8 . .
C16 C17 H17 119.8 . .
C17 C18 C19 119.3(5) . .
C17 C18 H18 120.3 . .
C19 C18 H18 120.3 . .
C18 C19 C20 122.6(5) . .
C18 C19 H19 118.7 . .
C20 C19 H19 118.7 . .
C19 C20 C15 117.8(5) . .
C19 C20 C21 121.6(5) . .
C15 C20 C21 120.6(4) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
O4 C22 C23 119.3(4) . .
O4 C22 C27 120.5(4) . .
C23 C22 C27 120.1(4) . .
C24 C23 C22 119.6(5) . .
C24 C23 H23 120.2 . .
C22 C23 H23 120.2 . .
C25 C24 C23 120.8(6) . .
C25 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
C26 C25 C24 118.7(5) . .
C26 C25 H25 120.7 . .
C24 C25 H25 120.7 . .
C25 C26 C27 123.4(6) . .
C25 C26 H26 118.3 . .
C27 C26 H26 118.3 . .
C26 C27 C22 117.4(5) . .
C26 C27 C28 121.8(5) . .
C22 C27 C28 120.8(4) . .
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 . .
O5 C29 C34 120.6(4) . .
O5 C29 C30 119.4(4) . .
C34 C29 C30 120.0(4) . .
C31 C30 C29 120.6(5) . .
C31 C30 H30 119.7 . .
C29 C30 H30 119.7 . .
C30 C31 C32 119.6(5) . .
C30 C31 H31 120.2 . .
C32 C31 H31 120.2 . .
C33 C32 C31 119.6(5) . .
C33 C32 H32 120.2 . .
C31 C32 H32 120.2 . .
C32 C33 C34 121.8(5) . .
C32 C33 H33 119.1 . .
C34 C33 H33 119.1 . .
C29 C34 C33 118.3(5) . .
C29 C34 C35 121.1(4) . .
C33 C34 C35 120.6(5) . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O6 C36 C37 119.9(5) . .
O6 C36 C41 119.7(5) . .
C37 C36 C41 120.3(5) . .
C36 C37 C38 120.5(6) . .
C36 C37 H37 119.8 . .
C38 C37 H37 119.8 . .
C39 C38 C37 119.6(7) . .
C39 C38 H38 120.2 . .
C37 C38 H38 120.2 . .
C40 C39 C38 119.8(6) . .
C40 C39 H39 120.1 . .
C38 C39 H39 120.1 . .
C39 C40 C41 123.1(7) . .
C39 C40 H40 118.5 . .
C41 C40 H40 118.5 . .
C40 C41 C36 116.7(6) . .
C40 C41 C42 121.5(6) . .
C36 C41 C42 121.6(5) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C44 C43 O7 120.0(4) . .
C44 C43 C48 120.5(4) . .
O7 C43 C48 119.5(4) . .
C43 C44 C45 121.0(5) . .
C43 C44 H44 119.5 . .
C45 C44 H44 119.5 . .
C46 C45 C44 119.2(5) . .
C46 C45 H45 120.4 . .
C44 C45 H45 120.4 . .
C47 C46 C45 119.9(5) . .
C47 C46 H46 120.1 . .
C45 C46 H46 120.1 . .
C46 C47 C48 122.1(5) . .
C46 C47 H47 119.0 . .
C48 C47 H47 119.0 . .
C47 C48 C43 117.4(5) . .
C47 C48 C49 120.4(5) . .
C43 C48 C49 122.2(4) . .
C48 C49 H49A 109.5 . .
C48 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C48 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
O8 C50 C51 119.8(4) . .
O8 C50 C55 119.9(5) . .
C51 C50 C55 120.2(5) . .
C52 C51 C50 120.4(7) . .
C52 C51 H51 119.8 . .
C50 C51 H51 119.8 . .
C53 C52 C51 120.4(8) . .
C53 C52 H52 119.8 . .
C51 C52 H52 119.8 . .
C52 C53 C54 119.9(7) . .
C52 C53 H53 120.0 . .
C54 C53 H53 120.0 . .
C53 C54 C55 121.1(7) . .
C53 C54 H54 119.4 . .
C55 C54 H54 119.4 . .
C50 C55 C54 117.9(7) . .
C50 C55 C56 121.0(5) . .
C54 C55 C56 121.1(6) . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
O9 C57 C62 120.0(7) . .
O9 C57 C58 120.9(6) . .
C62 C57 C58 119.0(8) . .
C59 C58 C57 118.0(6) . .
C59 C58 C63 119.8(6) . .
C57 C58 C63 122.2(6) . .
C60 C59 C58 122.8(6) . .
C60 C59 H59 118.6 . .
C58 C59 H59 118.6 . .
C59 C60 C61 119.0(6) . .
C59 C60 H60 120.5 . .
C61 C60 H60 120.5 . .
C60 C61 C62 120.5(6) . .
C60 C61 H61 119.7 . .
C62 C61 H61 119.7 . .
C57 C62 C61 120.5(6) . .
C57 C62 H62 119.7 . .
C61 C62 H62 119.7 . .
C58 C63 H63A 109.5 . .
C58 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C58 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
O10 C64 C65 117.8(4) . .
O10 C64 C69 122.1(4) . .
C65 C64 C69 120.0 . .
C66 C65 C64 120.0 . .
C66 C65 H65 120.0 . .
C64 C65 H65 120.0 . .
C67 C66 C65 120.0 . .
C67 C66 H66 120.0 . .
C65 C66 H66 120.0 . .
C68 C67 C66 120.0 . .
C68 C67 H67 120.0 . .
C66 C67 H67 120.0 . .
C67 C68 C69 120.0 . .
C67 C68 H68 120.0 . .
C69 C68 H68 120.0 . .
C70 C69 C68 120.1(5) . .
C70 C69 C64 119.8(5) . .
C68 C69 C64 120.0 . .
C69 C70 H70A 109.5 . .
C69 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C69 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O3 2.120(3) .
Sn1 O1 2.133(3) .
Sn1 O1 2.365(3) 2_556
Sn1 O2 2.389(3) .
Sn2 O4 2.123(3) .
Sn2 O2 2.152(3) .
Sn2 O3 2.349(3) .
Sn2 O5 2.426(3) .
Sn3 O5 2.134(3) .
Sn3 O6 2.149(3) .
Sn3 O7 2.302(3) .
Sn3 O4 2.478(3) .
Sn4 O7 2.142(3) .
Sn4 O9 2.182(3) .
Sn4 O8 2.383(3) .
Sn4 O6 2.423(3) .
Sn5 O8 2.121(3) .
Sn5 O10 2.128(3) .
Sn5 O9 2.359(3) .
Sn5 O10 2.379(3) 2_655
O1 C1 1.385(4) .
O1 Sn1 2.365(3) 2_556
O2 C8 1.378(5) .
O3 C15 1.372(5) .
O4 C22 1.373(5) .
O5 C29 1.381(5) .
O6 C36 1.374(5) .
O7 C43 1.387(5) .
O8 C50 1.368(5) .
O9 C57 1.377(10) .
O10 C64 1.361(4) .
O10 Sn5 2.379(3) 2_655
C1 C2 1.3900 .
C1 C6 1.3900 .
C2 C3 1.3900 .
C2 H2 0.9500 .
C3 C4 1.3900 .
C3 H3 0.9500 .
C4 C5 1.3900 .
C4 H4 0.9500 .
C5 C6 1.3900 .
C5 H5 0.9500 .
C6 C7 1.477(6) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C9 1.386(6) .
C8 C13 1.401(6) .
C9 C10 1.386(7) .
C9 H9 0.9500 .
C10 C11 1.379(9) .
C10 H10 0.9500 .
C11 C12 1.362(9) .
C11 H11 0.9500 .
C12 C13 1.390(7) .
C12 H12 0.9500 .
C13 C14 1.510(7) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.403(6) .
C15 C20 1.404(6) .
C16 C17 1.392(7) .
C16 H16 0.9500 .
C17 C18 1.370(8) .
C17 H17 0.9500 .
C18 C19 1.377(8) .
C18 H18 0.9500 .
C19 C20 1.387(7) .
C19 H19 0.9500 .
C20 C21 1.503(7) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.396(7) .
C22 C27 1.400(6) .
C23 C24 1.390(8) .
C23 H23 0.9500 .
C24 C25 1.372(9) .
C24 H24 0.9500 .
C25 C26 1.364(9) .
C25 H25 0.9500 .
C26 C27 1.384(7) .
C26 H26 0.9500 .
C27 C28 1.493(7) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C34 1.388(6) .
C29 C30 1.400(7) .
C30 C31 1.377(7) .
C30 H30 0.9500 .
C31 C32 1.390(8) .
C31 H31 0.9500 .
C32 C33 1.372(8) .
C32 H32 0.9500 .
C33 C34 1.395(7) .
C33 H33 0.9500 .
C34 C35 1.505(7) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 C37 1.381(7) .
C36 C41 1.419(7) .
C37 C38 1.393(8) .
C37 H37 0.9500 .
C38 C39 1.379(11) .
C38 H38 0.9500 .
C39 C40 1.358(10) .
C39 H39 0.9500 .
C40 C41 1.392(8) .
C40 H40 0.9500 .
C41 C42 1.485(9) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 C44 1.363(7) .
C43 C48 1.422(7) .
C44 C45 1.394(7) .
C44 H44 0.9500 .
C45 C46 1.390(8) .
C45 H45 0.9500 .
C46 C47 1.372(8) .
C46 H46 0.9500 .
C47 C48 1.390(7) .
C47 H47 0.9500 .
C48 C49 1.509(7) .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 C51 1.381(7) .
C50 C55 1.391(7) .
C51 C52 1.381(9) .
C51 H51 0.9500 .
C52 C53 1.346(12) .
C52 H52 0.9500 .
C53 C54 1.389(12) .
C53 H53 0.9500 .
C54 C55 1.392(9) .
C54 H54 0.9500 .
C55 C56 1.503(9) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 C62 1.387(9) .
C57 C58 1.411(10) .
C58 C59 1.392(8) .
C58 C63 1.515(8) .
C59 C60 1.356(10) .
C59 H59 0.9500 .
C60 C61 1.377(9) .
C60 H60 0.9500 .
C61 C62 1.388(8) .
C61 H61 0.9500 .
C62 H62 0.9500 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 C65 1.3900 .
C64 C69 1.3900 .
C65 C66 1.3900 .
C65 H65 0.9500 .
C66 C67 1.3900 .
C66 H66 0.9500 .
C67 C68 1.3900 .
C67 H67 0.9500 .
C68 C69 1.3900 .
C68 H68 0.9500 .
C69 C70 1.384(11) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.000 260 48 ' '
2 0.137 0.566 0.280 16 1 ' '
3 0.863 0.434 0.720 16 1 ' '
