#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008425.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_2008425
loop_
_publ_author_name
'Ng, Seik Weng'
_publ_section_title
;
Coordination complexes of triphenyltin coumarin-3-carboxylate with
O-donor ligands:
(coumarin-3-carboxylato)triphenyltin--L (L = ethanol,
diphenylcyclopropenone and quinoline N-oxide) and
bis[(coumarin-3-carboxylato)triphenyltin]--L (L = triphenylphosphine oxide
and triphenylarsine oxide)
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              523
_journal_page_last               531
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         '[Sn2(C6H5)6(C10H5O4)2(C18H15AsO)]'
_chemical_formula_sum            'C74 H55 As O9 Sn2'
_chemical_formula_weight         1400.48
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.501(9)
_cell_angle_beta                 81.793(7)
_cell_angle_gamma                80.523(6)
_cell_formula_units_Z            2
_cell_length_a                   9.5242(4)
_cell_length_b                   16.219(2)
_cell_length_c                   20.807(2)
_cell_measurement_temperature    298(2)
_cell_volume                     3096.0(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.502
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2008425
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Sn1a 1.00633(4) 0.39677(2) 0.30050(2) 0.03880(10) Uani d . 1 . . Sn
O1a 1.0965(4) 0.2720(2) 0.3390(2) 0.0530(10) Uani d . 1 . . O
O2a 1.1126(6) 0.2924(3) 0.4392(2) 0.094(2) Uani d . 1 . . O
O3a 1.3194(3) 0.0337(2) 0.4667(2) 0.0460(10) Uani d . 1 . . O
O4a 1.3752(4) 0.1605(2) 0.4617(2) 0.0600(10) Uani d . 1 . . O
C1a 0.8100(3) 0.3930(2) 0.3639(2) 0.0390(10) Uani d G 1 . . C
C2a 0.7458(4) 0.3198(2) 0.3792(2) 0.0540(10) Uani d G 1 . . C
C3a 0.6120(4) 0.3206(2) 0.4161(2) 0.069(2) Uani d G 1 . . C
C4a 0.5424(3) 0.3947(3) 0.4377(2) 0.078(2) Uani d G 1 . . C
C5a 0.6066(4) 0.4679(2) 0.4224(2) 0.070(2) Uani d G 1 . . C
C6a 0.7404(4) 0.4671(2) 0.3855(2) 0.0510(10) Uani d G 1 . . C
C7a 1.0257(4) 0.3571(2) 0.20680(10) 0.0430(10) Uani d G 1 . . C
C8a 0.9746(5) 0.2829(2) 0.20290(10) 0.068(2) Uani d G 1 . . C
C9a 0.9785(5) 0.2581(2) 0.1421(2) 0.095(3) Uani d G 1 . . C
C10a 1.0335(5) 0.3074(3) 0.08520(10) 0.085(2) Uani d G 1 . . C
C11a 1.0845(5) 0.3816(2) 0.08910(10) 0.085(2) Uani d G 1 . . C
C12a 1.0806(4) 0.4065(2) 0.1499(2) 0.066(2) Uani d G 1 . . C
C13a 1.1394(4) 0.4778(2) 0.3237(2) 0.0500(10) Uani d G 1 . . C
C14a 1.2279(4) 0.5223(2) 0.2755(2) 0.070(2) Uani d G 1 . . C
C15a 1.3083(4) 0.5774(2) 0.2926(2) 0.097(3) Uani d G 1 . . C
C16a 1.3002(5) 0.5881(2) 0.3578(3) 0.108(3) Uani d G 1 . . C
C17a 1.2118(5) 0.5436(3) 0.4060(2) 0.094(2) Uani d G 1 . . C
C18a 1.1314(4) 0.4885(2) 0.3890(2) 0.067(2) Uani d G 1 . . C
C19a 1.1261(6) 0.2477(3) 0.3972(3) 0.0500(10) Uani d . 1 . . C
C20a 1.1658(5) 0.1530(3) 0.4143(2) 0.0390(10) Uani d . 1 . . C
C21a 1.0847(5) 0.0998(3) 0.4020(2) 0.0480(10) Uani d . 1 . . C
C22a 1.1132(5) 0.0102(3) 0.4226(2) 0.0410(10) Uani d . 1 . . C
C23a 1.0273(6) -0.0469(4) 0.4128(3) 0.0560(10) Uani d . 1 . . C
C24a 1.0620(7) -0.1316(4) 0.4345(3) 0.063(2) Uani d . 1 . . C
C25a 1.1835(7) -0.1610(3) 0.4655(3) 0.067(2) Uani d . 1 . . C
C26a 1.2705(6) -0.1064(3) 0.4761(3) 0.0550(10) Uani d . 1 . . C
C27a 1.2325(5) -0.0210(3) 0.4546(2) 0.0410(10) Uani d . 1 . . C
C28a 1.2915(5) 0.1203(3) 0.4487(2) 0.0420(10) Uani d . 1 . . C
Sn1b 0.86022(3) 0.73152(2) 0.18669(2) 0.03610(10) Uani d . 1 . . Sn
As1b 0.95085(5) 0.94919(3) 0.20175(2) 0.03440(10) Uani d . 1 . . As
O1b 0.7614(4) 0.6260(2) 0.1721(2) 0.0500(10) Uani d . 1 . . O
O2b 0.8785(4) 0.5282(2) 0.2417(2) 0.0440(10) Uani d . 1 . . O
O3b 0.6386(5) 0.4309(3) 0.0941(2) 0.0820(10) Uani d . 1 . . O
O4b 0.7740(5) 0.5316(3) 0.0667(2) 0.092(2) Uani d . 1 . . O
O5b 0.9469(4) 0.8489(2) 0.1983(2) 0.0500(10) Uani d . 1 . . O
C1b 0.8039(3) 0.7116(2) 0.29060(10) 0.0370(10) Uani d G 1 . . C
C2b 0.9093(3) 0.6955(2) 0.3329(2) 0.0490(10) Uani d G 1 . . C
C3b 0.8708(4) 0.6907(2) 0.40030(10) 0.059(2) Uani d G 1 . . C
C4b 0.7270(4) 0.7022(2) 0.42540(10) 0.065(2) Uani d G 1 . . C
C5b 0.6216(3) 0.7183(2) 0.3831(2) 0.065(2) Uani d G 1 . . C
C6b 0.6601(3) 0.7230(2) 0.3157(2) 0.0530(10) Uani d G 1 . . C
C7b 1.0654(3) 0.6879(2) 0.1383(2) 0.0430(10) Uani d G 1 . . C
C8b 1.1895(4) 0.7138(2) 0.1508(2) 0.062(2) Uani d G 1 . . C
C9b 1.3214(3) 0.6846(3) 0.1186(2) 0.081(2) Uani d G 1 . . C
C10b 1.3291(4) 0.6295(3) 0.0738(2) 0.086(2) Uani d G 1 . . C
C11b 1.2050(5) 0.6036(2) 0.0613(2) 0.082(2) Uani d G 1 . . C
C12b 1.0731(4) 0.6328(2) 0.0936(2) 0.0560(10) Uani d G 1 . . C
C13b 0.7043(3) 0.8057(2) 0.12710(10) 0.0410(10) Uani d G 1 . . C
C14b 0.6842(4) 0.7785(2) 0.0699(2) 0.0580(10) Uani d G 1 . . C
C15b 0.5821(4) 0.8245(3) 0.0307(2) 0.077(2) Uani d G 1 . . C
C16b 0.5002(4) 0.8977(2) 0.0487(2) 0.083(2) Uani d G 1 . . C
C17b 0.5203(4) 0.9249(2) 0.1059(2) 0.081(2) Uani d G 1 . . C
C18b 0.6223(4) 0.8789(2) 0.1451(2) 0.0590(10) Uani d G 1 . . C
C19b 0.7928(5) 0.5505(3) 0.2007(2) 0.0390(10) Uani d . 1 . . C
C20b 0.7110(5) 0.4885(3) 0.1813(2) 0.0390(10) Uani d . 1 . . C
C21b 0.6332(5) 0.4388(3) 0.2256(2) 0.0460(10) Uani d . 1 . . C
C22b 0.5550(5) 0.3808(3) 0.2066(2) 0.0470(10) Uani d . 1 . . C
C23b 0.4708(6) 0.3277(3) 0.2502(3) 0.062(2) Uani d . 1 . . C
C24b 0.3997(7) 0.2734(4) 0.2277(3) 0.076(2) Uani d . 1 . . C
C25b 0.4112(8) 0.2710(5) 0.1617(4) 0.096(2) Uani d . 1 . . C
C26b 0.4912(9) 0.3237(5) 0.1171(4) 0.103(3) Uani d . 1 . . C
C27b 0.5616(6) 0.3783(4) 0.1408(3) 0.063(2) Uani d . 1 . . C
C28b 0.7128(7) 0.4879(4) 0.1116(3) 0.063(2) Uani d . 1 . . C
C29b 0.8084(3) 0.9882(2) 0.26760(10) 0.0400(10) Uani d G 1 . . C
C30b 0.7705(4) 1.0741(2) 0.2702(2) 0.0570(10) Uani d G 1 . . C
C31b 0.6821(4) 1.1004(2) 0.3241(2) 0.071(2) Uani d G 1 . . C
C32b 0.6315(3) 1.0408(3) 0.3752(2) 0.065(2) Uani d G 1 . . C
C33b 0.6693(3) 0.9549(2) 0.37260(10) 0.0570(10) Uani d G 1 . . C
C34b 0.7577(3) 0.9286(2) 0.3187(2) 0.0440(10) Uani d G 1 . . C
C35b 1.1266(3) 0.9586(2) 0.2300(2) 0.0460(10) Uani d G 1 . . C
C36b 1.1736(5) 1.0368(2) 0.2228(2) 0.077(2) Uani d G 1 . . C
C37b 1.2980(5) 1.0432(3) 0.2481(2) 0.117(3) Uani d G 1 . . C
C38b 1.3755(4) 0.9714(4) 0.2806(2) 0.131(4) Uani d G 1 . . C
C39b 1.3285(4) 0.8932(4) 0.2879(2) 0.109(3) Uani d G 1 . . C
C40b 1.2040(5) 0.8867(2) 0.2625(2) 0.071(2) Uani d G 1 . . C
C41b 0.9357(4) 1.0245(2) 0.12120(10) 0.0490(10) Uani d G 1 . . C
C42b 1.0589(4) 1.0347(2) 0.0777(2) 0.069(2) Uani d G 1 . . C
C43b 1.0514(6) 1.0910(3) 0.0189(2) 0.104(3) Uani d G 1 . . C
C44b 0.9206(7) 1.1372(2) 0.0037(2) 0.123(4) Uani d G 1 . . C
C45b 0.7973(5) 1.1270(2) 0.0472(2) 0.105(3) Uani d G 1 . . C
C46b 0.8048(4) 1.0706(2) 0.1060(2) 0.067(2) Uani d G 1 . . C
H2a 0.7924 0.2703 0.3648 0.081 Uiso calc R 1 . . H
H3a 0.5691 0.2716 0.4264 0.104 Uiso calc R 1 . . H
H4a 0.4529 0.3952 0.4623 0.117 Uiso calc R 1 . . H
H5a 0.5601 0.5174 0.4368 0.106 Uiso calc R 1 . . H
H6a 0.7834 0.5161 0.3752 0.076 Uiso calc R 1 . . H
H8a 0.9378 0.2499 0.2409 0.102 Uiso calc R 1 . . H
H9a 0.9443 0.2084 0.1395 0.143 Uiso calc R 1 . . H
H10a 1.0361 0.2908 0.0445 0.127 Uiso calc R 1 . . H
H11a 1.1213 0.4147 0.0510 0.128 Uiso calc R 1 . . H
H12a 1.1148 0.4562 0.1525 0.099 Uiso calc R 1 . . H
H14a 1.2333 0.5152 0.2318 0.105 Uiso calc R 1 . . H
H15a 1.3675 0.6072 0.2603 0.146 Uiso calc R 1 . . H
H16a 1.3540 0.6250 0.3693 0.161 Uiso calc R 1 . . H
H17a 1.2064 0.5508 0.4497 0.140 Uiso calc R 1 . . H
H18a 1.0722 0.4587 0.4212 0.101 Uiso calc R 1 . . H
H21a 1.0062 0.1217 0.3791 0.071 Uiso calc R 1 . . H
H23a 0.9459 -0.0273 0.3914 0.084 Uiso calc R 1 . . H
H24a 1.0036 -0.1694 0.4284 0.094 Uiso calc R 1 . . H
H25a 1.2069 -0.2188 0.4795 0.100 Uiso calc R 1 . . H
H26a 1.3523 -0.1263 0.4971 0.083 Uiso calc R 1 . . H
H2b 1.0055 0.6878 0.3160 0.074 Uiso calc R 1 . . H
H3b 0.9413 0.6799 0.4286 0.088 Uiso calc R 1 . . H
H4b 0.7012 0.6990 0.4706 0.097 Uiso calc R 1 . . H
H5b 0.5253 0.7259 0.4000 0.097 Uiso calc R 1 . . H
H6b 0.5896 0.7338 0.2874 0.080 Uiso calc R 1 . . H
H8b 1.1843 0.7506 0.1808 0.093 Uiso calc R 1 . . H
H9b 1.4044 0.7019 0.1269 0.121 Uiso calc R 1 . . H
H10b 1.4174 0.6099 0.0522 0.130 Uiso calc R 1 . . H
H11b 1.2102 0.5667 0.0314 0.123 Uiso calc R 1 . . H
H12b 0.9901 0.6155 0.0852 0.085 Uiso calc R 1 . . H
H14b 0.7390 0.7295 0.0579 0.087 Uiso calc R 1 . . H
H15b 0.5687 0.8063 -0.0076 0.116 Uiso calc R 1 . . H
H16b 0.4320 0.9285 0.0225 0.124 Uiso calc R 1 . . H
H17b 0.4655 0.9739 0.1179 0.122 Uiso calc R 1 . . H
H18b 0.6358 0.8971 0.1834 0.088 Uiso calc R 1 . . H
H21b 0.6297 0.4420 0.2700 0.069 Uiso calc R 1 . . H
H23b 0.4625 0.3291 0.2951 0.092 Uiso calc R 1 . . H
H24b 0.3439 0.2383 0.2573 0.114 Uiso calc R 1 . . H
H25b 0.3645 0.2334 0.1469 0.144 Uiso calc R 1 . . H
H26b 0.4979 0.3227 0.0722 0.155 Uiso calc R 1 . . H
H30b 0.8044 1.1140 0.2360 0.086 Uiso calc R 1 . . H
H31b 0.6568 1.1579 0.3259 0.106 Uiso calc R 1 . . H
H32b 0.5723 1.0584 0.4112 0.097 Uiso calc R 1 . . H
H33b 0.6354 0.9150 0.4068 0.086 Uiso calc R 1 . . H
H34b 0.7830 0.8711 0.3169 0.067 Uiso calc R 1 . . H
H36b 1.1218 1.0849 0.2010 0.116 Uiso calc R 1 . . H
H37b 1.3295 1.0956 0.2433 0.176 Uiso calc R 1 . . H
H38b 1.4587 0.9757 0.2976 0.197 Uiso calc R 1 . . H
H39b 1.3803 0.8451 0.3096 0.163 Uiso calc R 1 . . H
H40b 1.1726 0.8344 0.2674 0.107 Uiso calc R 1 . . H
H42b 1.1464 1.0038 0.0879 0.104 Uiso calc R 1 . . H
H43b 1.1339 1.0978 -0.0102 0.156 Uiso calc R 1 . . H
H44b 0.9155 1.1749 -0.0356 0.184 Uiso calc R 1 . . H
H45b 0.7098 1.1579 0.0370 0.158 Uiso calc R 1 . . H
H46b 0.7224 1.0638 0.1351 0.100 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sn1a 0.0470(2) 0.0333(2) 0.0368(2) -0.00810(10) -0.0063(2) -0.00460(10)
O1a 0.071(2) 0.039(2) 0.043(2) 0.003(2) -0.012(2) 0.000(2)
O2a 0.167(5) 0.053(3) 0.065(3) 0.014(3) -0.046(3) -0.016(2)
O3a 0.042(2) 0.039(2) 0.059(2) -0.004(2) -0.020(2) -0.003(2)
O4a 0.054(2) 0.050(2) 0.084(3) -0.015(2) -0.018(2) -0.015(2)
C1a 0.043(3) 0.042(3) 0.033(2) -0.010(2) -0.007(2) -0.003(2)
C2a 0.058(3) 0.041(3) 0.060(3) -0.012(3) -0.008(3) 0.004(2)
C3a 0.067(4) 0.062(4) 0.074(4) -0.024(3) -0.006(3) 0.015(3)
C4a 0.059(4) 0.088(5) 0.070(4) -0.008(4) 0.019(3) 0.005(4)
C5a 0.068(4) 0.072(4) 0.063(4) -0.006(3) 0.014(3) -0.009(3)
C6a 0.056(3) 0.049(3) 0.048(3) -0.013(3) 0.001(3) -0.010(2)
C7a 0.055(3) 0.034(3) 0.039(3) -0.002(2) -0.011(2) -0.002(2)
C8a 0.119(5) 0.050(3) 0.042(3) -0.033(3) -0.008(3) -0.008(3)
C9a 0.182(8) 0.056(4) 0.060(4) -0.042(5) -0.015(5) -0.016(3)
C10a 0.148(7) 0.063(4) 0.045(3) -0.014(4) -0.014(4) -0.012(3)
C11a 0.126(6) 0.080(5) 0.044(4) -0.023(4) 0.008(4) -0.001(3)
C12a 0.095(5) 0.056(3) 0.047(3) -0.025(3) 0.005(3) -0.004(3)
C13a 0.044(3) 0.038(3) 0.069(4) -0.003(2) -0.021(3) -0.005(3)
C14a 0.057(4) 0.053(3) 0.100(5) -0.016(3) -0.019(3) 0.001(3)
C15a 0.082(5) 0.073(5) 0.139(7) -0.034(4) -0.040(5) 0.016(5)
C16a 0.090(6) 0.073(5) 0.178(9) -0.029(4) -0.082(6) 0.001(5)
C17a 0.098(6) 0.085(5) 0.118(6) -0.017(4) -0.060(5) -0.029(5)
C18a 0.069(4) 0.060(4) 0.079(4) -0.011(3) -0.030(3) -0.012(3)
C19a 0.066(4) 0.041(3) 0.043(3) -0.002(2) -0.016(3) -0.006(2)
C20a 0.045(3) 0.039(3) 0.034(2) -0.004(2) -0.006(2) -0.005(2)
C21a 0.047(3) 0.050(3) 0.043(3) 0.003(2) -0.015(2) -0.003(2)
C22a 0.045(3) 0.040(3) 0.039(3) -0.004(2) -0.009(2) -0.007(2)
C23a 0.057(3) 0.066(4) 0.050(3) -0.015(3) -0.015(3) -0.012(3)
C24a 0.082(4) 0.054(4) 0.062(4) -0.030(3) -0.016(3) -0.010(3)
C25a 0.102(5) 0.038(3) 0.061(4) -0.014(3) -0.015(3) -0.002(3)
C26a 0.069(4) 0.039(3) 0.056(3) -0.001(3) -0.022(3) 0.000(2)
C27a 0.045(3) 0.040(3) 0.039(3) -0.007(2) -0.008(2) -0.007(2)
C28a 0.046(3) 0.036(3) 0.044(3) -0.006(2) -0.005(2) -0.006(2)
Sn1b 0.0466(2) 0.0292(2) 0.0323(2) -0.00670(10) -0.00630(10) -0.00190(10)
As1b 0.0397(3) 0.0307(2) 0.0350(3) -0.0099(2) -0.0072(2) -0.0044(2)
O1b 0.075(2) 0.031(2) 0.049(2) -0.015(2) -0.023(2) 0.002(2)
O2b 0.061(2) 0.032(2) 0.040(2) -0.007(2) -0.014(2) -0.0040(10)
O3b 0.114(4) 0.103(3) 0.048(2) -0.069(3) 0.009(2) -0.029(2)
O4b 0.137(4) 0.111(4) 0.044(2) -0.083(3) 0.015(2) -0.017(2)
O5b 0.060(2) 0.032(2) 0.059(2) -0.016(2) -0.005(2) -0.008(2)
C1b 0.052(3) 0.025(2) 0.033(2) -0.008(2) -0.005(2) -0.004(2)
C2b 0.062(3) 0.044(3) 0.044(3) -0.015(2) -0.011(3) -0.002(2)
C3b 0.091(5) 0.048(3) 0.042(3) -0.025(3) -0.014(3) -0.003(2)
C4b 0.106(5) 0.051(3) 0.040(3) -0.032(3) 0.005(3) -0.008(3)
C5b 0.066(4) 0.065(4) 0.063(4) -0.024(3) 0.017(3) -0.015(3)
C6b 0.054(3) 0.055(3) 0.050(3) -0.015(3) 0.000(3) -0.008(3)
C7b 0.057(3) 0.031(2) 0.036(3) -0.002(2) -0.001(2) 0.001(2)
C8b 0.056(4) 0.062(4) 0.065(4) -0.008(3) 0.003(3) -0.009(3)
C9b 0.064(4) 0.091(5) 0.078(5) -0.014(4) 0.010(3) 0.000(4)
C10b 0.086(5) 0.078(5) 0.075(5) 0.002(4) 0.035(4) -0.005(4)
C11b 0.116(6) 0.058(4) 0.062(4) -0.008(4) 0.027(4) -0.017(3)
C12b 0.082(4) 0.043(3) 0.041(3) -0.011(3) 0.011(3) -0.012(2)
C13b 0.045(3) 0.033(2) 0.045(3) -0.015(2) -0.006(2) 0.003(2)
C14b 0.071(4) 0.057(3) 0.048(3) -0.012(3) -0.019(3) -0.002(3)
C15b 0.094(5) 0.079(5) 0.067(4) -0.023(4) -0.048(4) 0.007(3)
C16b 0.082(5) 0.066(4) 0.101(5) -0.018(4) -0.050(4) 0.022(4)
C17b 0.069(4) 0.063(4) 0.112(6) 0.004(3) -0.040(4) -0.005(4)
C18b 0.065(4) 0.047(3) 0.066(4) -0.005(3) -0.019(3) -0.008(3)
C19b 0.049(3) 0.035(3) 0.033(2) -0.013(2) 0.001(2) -0.005(2)
C20b 0.045(3) 0.036(3) 0.040(3) -0.010(2) -0.004(2) -0.008(2)
C21b 0.052(3) 0.040(3) 0.047(3) -0.010(2) -0.012(2) -0.001(2)
C22b 0.048(3) 0.041(3) 0.052(3) -0.012(2) -0.004(2) -0.010(2)
C23b 0.067(4) 0.056(3) 0.064(4) -0.024(3) -0.003(3) -0.005(3)
C24b 0.081(5) 0.065(4) 0.089(5) -0.041(3) 0.000(4) -0.013(4)
C25b 0.113(6) 0.103(6) 0.095(6) -0.072(5) 0.001(5) -0.032(5)
C26b 0.138(7) 0.121(6) 0.076(5) -0.088(6) 0.008(5) -0.038(4)
C27b 0.069(4) 0.066(4) 0.062(4) -0.037(3) 0.007(3) -0.019(3)
C28b 0.080(4) 0.065(4) 0.053(3) -0.037(3) 0.006(3) -0.020(3)
C29b 0.036(3) 0.043(3) 0.045(3) -0.004(2) -0.008(2) -0.014(2)
C30b 0.062(4) 0.043(3) 0.069(4) -0.001(3) -0.009(3) -0.016(3)
C31b 0.065(4) 0.061(4) 0.096(5) 0.004(3) -0.013(4) -0.045(4)
C32b 0.036(3) 0.098(5) 0.071(4) -0.004(3) -0.007(3) -0.047(4)
C33b 0.044(3) 0.084(4) 0.051(3) -0.018(3) -0.003(3) -0.024(3)
C34b 0.044(3) 0.049(3) 0.046(3) -0.017(2) -0.008(2) -0.011(2)
C35b 0.041(3) 0.061(3) 0.042(3) -0.010(2) -0.007(2) -0.017(2)
C36b 0.079(4) 0.085(5) 0.085(5) -0.040(4) -0.015(4) -0.030(4)
C37b 0.093(6) 0.179(9) 0.116(7) -0.075(6) -0.014(5) -0.067(6)
C38b 0.050(5) 0.270(10) 0.099(7) -0.017(7) -0.019(4) -0.088(8)
C39b 0.067(5) 0.177(9) 0.083(5) 0.038(5) -0.033(4) -0.054(6)
C40b 0.059(4) 0.095(5) 0.059(4) 0.015(3) -0.019(3) -0.023(3)
C41b 0.074(4) 0.039(3) 0.043(3) -0.025(3) -0.019(3) -0.003(2)
C42b 0.107(5) 0.065(4) 0.044(3) -0.047(4) -0.004(3) -0.006(3)
C43b 0.188(9) 0.097(6) 0.045(4) -0.097(6) -0.006(5) 0.002(4)
C44b 0.250(10) 0.077(5) 0.063(5) -0.081(7) -0.070(7) 0.019(4)
C45b 0.174(8) 0.062(4) 0.096(6) -0.027(5) -0.095(6) 0.014(4)
C46b 0.086(4) 0.053(3) 0.069(4) -0.012(3) -0.042(3) -0.001(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1a C1a . 2.132(2) yes
Sn1a C7a . 2.136(2) yes
Sn1a C13a . 2.126(3) yes
Sn1a O1a . 2.123(3) yes
Sn1a O2b . 2.479(3) yes
O1a C19a . 1.261(5) no
O2a C19a . 1.214(6) no
O3a C28a . 1.378(5) no
O3a C27a . 1.384(5) no
O4a C28a . 1.196(5) no
C1a C2a . 1.3900 no
C1a C6a . 1.3900 no
C2a C3a . 1.3900 no
C3a C4a . 1.3900 no
C4a C5a . 1.3900 no
C5a C6a . 1.3900 no
C7a C8a . 1.3900 no
C7a C12a . 1.3900 no
C8a C9a . 1.3900 no
C9a C10a . 1.3900 no
C10a C11a . 1.3900 no
C11a C12a . 1.3900 no
C13a C14a . 1.3900 no
C13a C18a . 1.3900 no
C14a C15a . 1.3900 no
C15a C16a . 1.3900 no
C16a C17a . 1.3900 no
C17a C18a . 1.3900 no
C19a C20a . 1.508(6) no
C20a C21a . 1.327(6) no
C20a C28a . 1.457(6) no
C21a C22a . 1.431(6) no
C22a C27a . 1.376(6) no
C22a C23a . 1.390(7) no
C23a C24a . 1.367(7) no
C24a C25a . 1.378(8) no
C25a C26a . 1.373(7) no
C26a C27a . 1.380(6) no
Sn1b C1b . 2.130(2) yes
Sn1b C7b . 2.138(3) yes
Sn1b C13b . 2.141(2) yes
Sn1b O1b . 2.170(3) yes
Sn1b O5b . 2.260(3) yes
As1b O5b . 1.647(3) yes
As1b C29b . 1.903(2) yes
As1b C35b . 1.889(3) yes
As1b C41b . 1.893(3) yes
O1b C19b . 1.267(5) no
O2b C19b . 1.231(5) no
O3b C28b . 1.377(6) no
O3b C27b . 1.383(6) no
O4b C28b . 1.206(6) no
C1b C2b . 1.3900 no
C1b C6b . 1.3900 no
C2b C3b . 1.3900 no
C3b C4b . 1.3900 no
C4b C5b . 1.3900 no
C5b C6b . 1.3900 no
C7b C8b . 1.3900 no
C7b C12b . 1.3900 no
C8b C9b . 1.3900 no
C9b C10b . 1.3900 no
C10b C11b . 1.3900 no
C11b C12b . 1.3900 no
C13b C14b . 1.3900 no
C13b C18b . 1.3900 no
C14b C15b . 1.3900 no
C15b C16b . 1.3900 no
C16b C17b . 1.3900 no
C17b C18b . 1.3900 no
C19b C20b . 1.508(6) no
C20b C21b . 1.334(6) no
C20b C28b . 1.449(7) no
C21b C22b . 1.431(6) no
C22b C27b . 1.370(7) no
C22b C23b . 1.394(7) no
C23b C24b . 1.375(7) no
C24b C25b . 1.369(9) no
C25b C26b . 1.377(9) no
C26b C27b . 1.387(8) no
C29b C30b . 1.3900 no
C29b C34b . 1.3900 no
C30b C31b . 1.3900 no
C31b C32b . 1.3900 no
C32b C33b . 1.3900 no
C33b C34b . 1.3900 no
C35b C36b . 1.3900 no
C35b C40b . 1.3900 no
C36b C37b . 1.3900 no
C37b C38b . 1.3900 no
C38b C39b . 1.3900 no
C39b C40b . 1.3900 no
C41b C42b . 1.3900 no
C41b C46b . 1.3900 no
C42b C43b . 1.3900 no
C43b C44b . 1.3900 no
C44b C45b . 1.3900 no
C45b C46b . 1.3900 no