#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008424.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_2008424
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(C18H15OP)]'
_chemical_formula_sum            'C74 H55 O9 P Sn2'
_chemical_formula_weight         1356.53
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.329(8)
_cell_angle_beta                 81.946(7)
_cell_angle_gamma                80.861(7)
_cell_formula_units_Z            2
_cell_length_a                   9.4696(6)
_cell_length_b                   16.164(2)
_cell_length_c                   20.816(2)
_cell_measurement_temperature    298(2)
_cell_volume                     3071.1(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.467
_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               2008424
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 1.00814(4) 0.39718(2) 0.30005(2) 0.03860(10) Uani d . 1 . . Sn
O1a 1.0984(4) 0.2724(2) 0.3387(2) 0.0520(10) Uani d . 1 . . O
O2a 1.1193(7) 0.2936(3) 0.4382(2) 0.096(2) Uani d . 1 . . O
O3a 1.3197(4) 0.0336(2) 0.4681(2) 0.0460(10) Uani d . 1 . . O
O4a 1.3783(4) 0.1607(2) 0.4632(2) 0.0590(10) Uani d . 1 . . O
C1a 0.8108(3) 0.3937(2) 0.3633(2) 0.0390(10) Uani d G 1 . . C
C2a 0.7457(4) 0.3202(2) 0.3788(2) 0.0510(10) Uani d G 1 . . C
C3a 0.6113(4) 0.3209(2) 0.4156(2) 0.068(2) Uani d G 1 . . C
C4a 0.5421(3) 0.3951(3) 0.4370(2) 0.075(2) Uani d G 1 . . C
C5a 0.6071(4) 0.4686(2) 0.4215(2) 0.070(2) Uani d G 1 . . C
C6a 0.7415(4) 0.4680(2) 0.3847(2) 0.0480(10) Uani d G 1 . . C
C7a 1.0282(4) 0.3581(2) 0.20630(10) 0.0450(10) Uani d G 1 . . C
C8a 0.9807(5) 0.2823(2) 0.2025(2) 0.067(2) Uani d G 1 . . C
C9a 0.9869(6) 0.2569(2) 0.1418(2) 0.090(3) Uani d G 1 . . C
C10a 1.0407(6) 0.3072(3) 0.0849(2) 0.087(2) Uani d G 1 . . C
C11a 1.0883(5) 0.3831(3) 0.08870(10) 0.087(2) Uani d G 1 . . C
C12a 1.0820(5) 0.4085(2) 0.1494(2) 0.065(2) Uani d G 1 . . C
C13a 1.1421(4) 0.4798(2) 0.3223(2) 0.0490(10) Uani d G 1 . . C
C14a 1.2299(5) 0.5250(3) 0.2737(2) 0.073(2) Uani d G 1 . . C
C15a 1.3104(4) 0.5811(3) 0.2902(3) 0.093(3) Uani d G 1 . . C
C16a 1.3031(5) 0.5921(3) 0.3553(3) 0.101(3) Uani d G 1 . . C
C17a 1.2153(5) 0.5469(3) 0.4039(2) 0.091(3) Uani d G 1 . . C
C18a 1.1348(4) 0.4907(3) 0.3874(2) 0.063(2) Uani d G 1 . . C
C19a 1.1301(6) 0.2481(3) 0.3972(3) 0.0480(10) Uani d . 1 . . C
C20a 1.1685(6) 0.1533(3) 0.4149(2) 0.0390(10) Uani d . 1 . . C
C21a 1.0862(6) 0.1007(3) 0.4013(2) 0.0440(10) Uani d . 1 . . C
C22a 1.1125(5) 0.0105(3) 0.4231(2) 0.0400(10) Uani d . 1 . . C
C23a 1.0255(6) -0.0470(4) 0.4137(3) 0.0510(10) Uani d . 1 . . C
C24a 1.0577(7) -0.1320(4) 0.4366(3) 0.062(2) Uani d . 1 . . C
C25a 1.1791(7) -0.1617(4) 0.4680(3) 0.060(2) Uani d . 1 . . C
C26a 1.2681(7) -0.1067(3) 0.4781(3) 0.054(2) Uani d . 1 . . C
C27a 1.2318(5) -0.0209(3) 0.4566(2) 0.0390(10) Uani d . 1 . . C
C28a 1.2936(6) 0.1205(3) 0.4502(3) 0.0440(10) Uani d . 1 . . C
Sn1b 0.84960(4) 0.73157(2) 0.18606(2) 0.03470(10) Uani d . 1 . . Sn
P1b 0.94520(10) 0.94764(8) 0.20336(6) 0.0331(3) Uani d . 1 . . P
O1b 0.7527(4) 0.6265(2) 0.1712(2) 0.0480(10) Uani d . 1 . . O
O2b 0.8758(4) 0.5298(2) 0.2400(2) 0.0440(10) Uani d . 1 . . O
O3b 0.6398(6) 0.4259(3) 0.0943(2) 0.085(2) Uani d . 1 . . O
O4b 0.7748(6) 0.5284(3) 0.0668(2) 0.094(2) Uani d . 1 . . O
O5b 0.9298(4) 0.8586(2) 0.1988(2) 0.0430(10) Uani d . 1 . . O
C1b 0.7981(3) 0.7126(2) 0.29010(10) 0.0360(10) Uani d G 1 . . C
C2b 0.9064(3) 0.6941(2) 0.3313(2) 0.0440(10) Uani d G 1 . . C
C3b 0.8716(4) 0.6895(2) 0.3989(2) 0.054(2) Uani d G 1 . . C
C4b 0.7283(5) 0.7033(2) 0.42520(10) 0.059(2) Uani d G 1 . . C
C5b 0.6199(3) 0.7218(2) 0.3840(2) 0.062(2) Uani d G 1 . . C
C6b 0.6548(3) 0.7264(2) 0.3165(2) 0.0510(10) Uani d G 1 . . C
C7b 1.0570(3) 0.6925(2) 0.1372(2) 0.0400(10) Uani d G 1 . . C
C8b 1.1797(4) 0.7213(2) 0.1495(2) 0.055(2) Uani d G 1 . . C
C9b 1.3133(3) 0.6940(3) 0.1175(2) 0.077(2) Uani d G 1 . . C
C10b 1.3241(4) 0.6379(3) 0.0734(2) 0.086(2) Uani d G 1 . . C
C11b 1.2014(5) 0.6091(2) 0.0611(2) 0.080(2) Uani d G 1 . . C
C12b 1.0678(4) 0.6363(2) 0.0930(2) 0.058(2) Uani d G 1 . . C
C13b 0.6948(3) 0.8080(2) 0.1264(2) 0.0400(10) Uani d G 1 . . C
C14b 0.6756(4) 0.7828(2) 0.0683(2) 0.056(2) Uani d G 1 . . C
C15b 0.5724(5) 0.8293(3) 0.0296(2) 0.072(2) Uani d G 1 . . C
C16b 0.4884(4) 0.9011(3) 0.0490(2) 0.076(2) Uani d G 1 . . C
C17b 0.5076(4) 0.9263(2) 0.1072(2) 0.076(2) Uani d G 1 . . C
C18b 0.6107(4) 0.8798(2) 0.1459(2) 0.056(2) Uani d G 1 . . C
C19b 0.7870(6) 0.5508(3) 0.1999(2) 0.0390(10) Uani d . 1 . . C
C20b 0.7068(5) 0.4869(3) 0.1809(3) 0.0390(10) Uani d . 1 . . C
C21b 0.6288(6) 0.4367(3) 0.2252(3) 0.0450(10) Uani d . 1 . . C
C22b 0.5528(6) 0.3771(3) 0.2061(3) 0.0440(10) Uani d . 1 . . C
C23b 0.4675(6) 0.3232(4) 0.2505(3) 0.057(2) Uani d . 1 . . C
C24b 0.4004(7) 0.2678(4) 0.2283(4) 0.070(2) Uani d . 1 . . C
C25b 0.4145(9) 0.2638(5) 0.1629(4) 0.094(3) Uani d . 1 . . C
C26b 0.4942(10) 0.3164(5) 0.1178(4) 0.107(3) Uani d . 1 . . C
C27b 0.5623(7) 0.3732(4) 0.1410(3) 0.064(2) Uani d . 1 . . C
C28b 0.7121(7) 0.4851(4) 0.1105(3) 0.062(2) Uani d . 1 . . C
C29b 0.8119(3) 0.9894(2) 0.26420(10) 0.0400(10) Uani d G 1 . . C
C30b 0.7786(4) 1.0760(2) 0.2659(2) 0.056(2) Uani d G 1 . . C
C31b 0.6901(4) 1.1041(2) 0.3189(2) 0.071(2) Uani d G 1 . . C
C32b 0.6348(4) 1.0457(3) 0.3702(2) 0.070(2) Uani d G 1 . . C
C33b 0.6680(4) 0.9592(3) 0.3685(2) 0.058(2) Uani d G 1 . . C
C34b 0.7566(4) 0.9310(2) 0.3155(2) 0.0430(10) Uani d G 1 . . C
C35b 1.1126(3) 0.9519(2) 0.2325(2) 0.0410(10) Uani d G 1 . . C
C36b 1.1678(5) 1.0280(2) 0.2266(2) 0.069(2) Uani d G 1 . . C
C37b 1.2929(5) 1.0296(4) 0.2539(3) 0.110(3) Uani d G 1 . . C
C38b 1.3628(4) 0.9551(5) 0.2871(2) 0.127(5) Uani d G 1 . . C
C39b 1.3076(5) 0.8790(4) 0.2930(2) 0.105(3) Uani d G 1 . . C
C40b 1.1825(5) 0.8774(2) 0.2657(2) 0.064(2) Uani d G 1 . . C
C41b 0.9389(4) 1.0197(2) 0.12690(10) 0.0450(10) Uani d G 1 . . C
C42b 1.0650(4) 1.0277(3) 0.0846(2) 0.063(2) Uani d G 1 . . C
C43b 1.0621(6) 1.0829(3) 0.0249(2) 0.092(3) Uani d G 1 . . C
C44b 0.9331(7) 1.1302(3) 0.0076(2) 0.108(4) Uani d G 1 . . C
C45b 0.8069(6) 1.1222(2) 0.0499(2) 0.096(3) Uani d G 1 . . C
C46b 0.8099(4) 1.0670(3) 0.1096(2) 0.067(2) Uani d G 1 . . C
H2a 0.7921 0.2706 0.3645 0.076 Uiso calc R 1 . . H
H3a 0.5678 0.2717 0.4259 0.102 Uiso calc R 1 . . H
H4a 0.4522 0.3955 0.4616 0.113 Uiso calc R 1 . . H
H5a 0.5608 0.5182 0.4358 0.104 Uiso calc R 1 . . H
H6a 0.7851 0.5172 0.3743 0.073 Uiso calc R 1 . . H
H8a 0.9447 0.2486 0.2406 0.100 Uiso calc R 1 . . H
H9a 0.9551 0.2061 0.1393 0.135 Uiso calc R 1 . . H
H10a 1.0448 0.2902 0.0443 0.130 Uiso calc R 1 . . H
H11a 1.1243 0.4168 0.0506 0.131 Uiso calc R 1 . . H
H12a 1.1139 0.4592 0.1519 0.098 Uiso calc R 1 . . H
H14a 1.2348 0.5177 0.2301 0.109 Uiso calc R 1 . . H
H15a 1.3691 0.6114 0.2577 0.139 Uiso calc R 1 . . H
H16a 1.3569 0.6297 0.3664 0.151 Uiso calc R 1 . . H
H17a 1.2104 0.5542 0.4475 0.137 Uiso calc R 1 . . H
H18a 1.0761 0.4605 0.4199 0.094 Uiso calc R 1 . . H
H21a 1.0096 0.1229 0.3770 0.065 Uiso calc R 1 . . H
H23a 0.9446 -0.0274 0.3917 0.076 Uiso calc R 1 . . H
H24a 0.9978 -0.1698 0.4309 0.092 Uiso calc R 1 . . H
H25a 1.2012 -0.2196 0.4827 0.090 Uiso calc R 1 . . H
H26a 1.3506 -0.1270 0.4988 0.081 Uiso calc R 1 . . H
H2b 1.0023 0.6848 0.3136 0.066 Uiso calc R 1 . . H
H3b 0.9441 0.6771 0.4264 0.081 Uiso calc R 1 . . H
H4b 0.7050 0.7002 0.4705 0.089 Uiso calc R 1 . . H
H5b 0.5241 0.7311 0.4017 0.093 Uiso calc R 1 . . H
H6b 0.5823 0.7388 0.2889 0.076 Uiso calc R 1 . . H
H8b 1.1724 0.7588 0.1790 0.083 Uiso calc R 1 . . H
H9b 1.3954 0.7133 0.1258 0.115 Uiso calc R 1 . . H
H10b 1.4135 0.6196 0.0520 0.129 Uiso calc R 1 . . H
H11b 1.2087 0.5715 0.0315 0.119 Uiso calc R 1 . . H
H12b 0.9857 0.6171 0.0848 0.087 Uiso calc R 1 . . H
H14b 0.7318 0.7348 0.0553 0.083 Uiso calc R 1 . . H
H15b 0.5596 0.8124 -0.0093 0.107 Uiso calc R 1 . . H
H16b 0.4194 0.9322 0.0231 0.114 Uiso calc R 1 . . H
H17b 0.4513 0.9743 0.1202 0.114 Uiso calc R 1 . . H
H18b 0.6235 0.8966 0.1848 0.085 Uiso calc R 1 . . H
H21b 0.6236 0.4406 0.2695 0.068 Uiso calc R 1 . . H
H23b 0.4572 0.3257 0.2952 0.086 Uiso calc R 1 . . H
H24b 0.3444 0.2323 0.2580 0.105 Uiso calc R 1 . . H
H25b 0.3694 0.2246 0.1485 0.141 Uiso calc R 1 . . H
H26b 0.5022 0.3142 0.0730 0.161 Uiso calc R 1 . . H
H30b 0.8156 1.1150 0.2316 0.084 Uiso calc R 1 . . H
H31b 0.6678 1.1620 0.3200 0.106 Uiso calc R 1 . . H
H32b 0.5755 1.0646 0.4056 0.104 Uiso calc R 1 . . H
H33b 0.6310 0.9201 0.4028 0.088 Uiso calc R 1 . . H
H34b 0.7788 0.8731 0.3144 0.064 Uiso calc R 1 . . H
H36b 1.1210 1.0778 0.2044 0.104 Uiso calc R 1 . . H
H37b 1.3298 1.0805 0.2500 0.166 Uiso calc R 1 . . H
H38b 1.4465 0.9562 0.3054 0.190 Uiso calc R 1 . . H
H39b 1.3544 0.8292 0.3152 0.158 Uiso calc R 1 . . H
H40b 1.1455 0.8265 0.2696 0.097 Uiso calc R 1 . . H
H42b 1.1514 0.9960 0.0961 0.094 Uiso calc R 1 . . H
H43b 1.1465 1.0883 -0.0034 0.138 Uiso calc R 1 . . H
H44b 0.9311 1.1672 -0.0323 0.161 Uiso calc R 1 . . H
H45b 0.7206 1.1539 0.0383 0.144 Uiso calc R 1 . . H
H46b 0.7255 1.0616 0.1379 0.101 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 0.0452(2) 0.0331(2) 0.0377(2) -0.0070(2) -0.0052(2) -0.0045(2)
O1a 0.067(3) 0.039(2) 0.046(2) 0.003(2) -0.012(2) -0.001(2)
O2a 0.172(6) 0.050(3) 0.071(3) 0.013(3) -0.051(3) -0.017(2)
O3a 0.043(2) 0.041(2) 0.054(2) -0.003(2) -0.020(2) 0.000(2)
O4a 0.049(2) 0.051(2) 0.083(3) -0.011(2) -0.013(2) -0.019(2)
C1a 0.045(3) 0.039(3) 0.032(3) -0.011(2) -0.007(2) 0.003(2)
C2a 0.053(4) 0.044(3) 0.052(3) -0.007(3) -0.007(3) 0.004(3)
C3a 0.067(4) 0.062(4) 0.069(4) -0.024(4) -0.003(4) 0.017(3)
C4a 0.059(4) 0.080(5) 0.072(5) -0.013(4) 0.019(4) 0.006(4)
C5a 0.065(4) 0.068(4) 0.068(4) -0.004(4) 0.012(3) -0.009(4)
C6a 0.055(4) 0.047(3) 0.045(3) -0.010(3) 0.002(3) -0.013(3)
C7a 0.059(4) 0.037(3) 0.037(3) -0.001(3) -0.006(3) -0.003(2)
C8a 0.116(6) 0.048(4) 0.041(3) -0.029(4) -0.007(3) -0.005(3)
C9a 0.163(8) 0.060(4) 0.059(4) -0.041(5) -0.021(5) -0.010(4)
C10a 0.155(8) 0.065(5) 0.041(4) -0.005(5) -0.015(4) -0.014(3)
C11a 0.144(7) 0.072(5) 0.041(4) -0.022(5) 0.009(4) -0.007(3)
C12a 0.102(5) 0.050(4) 0.042(3) -0.023(4) 0.005(3) -0.004(3)
C13a 0.041(3) 0.039(3) 0.069(4) -0.004(2) -0.017(3) -0.004(3)
C14a 0.058(4) 0.060(4) 0.099(6) -0.017(3) -0.017(4) 0.004(4)
C15a 0.071(5) 0.075(5) 0.134(8) -0.035(4) -0.037(5) 0.018(5)
C16a 0.085(6) 0.062(5) 0.171(9) -0.028(4) -0.077(6) 0.002(5)
C17a 0.112(7) 0.069(5) 0.110(6) -0.014(5) -0.062(5) -0.023(5)
C18a 0.072(4) 0.053(4) 0.072(4) -0.010(3) -0.030(4) -0.013(3)
C19a 0.061(4) 0.040(3) 0.044(3) -0.003(3) -0.015(3) -0.008(3)
C20a 0.049(3) 0.034(3) 0.033(3) -0.003(2) -0.005(2) -0.002(2)
C21a 0.042(3) 0.048(3) 0.038(3) -0.002(3) -0.013(2) -0.001(2)
C22a 0.042(3) 0.045(3) 0.032(3) -0.010(2) -0.008(2) -0.003(2)
C23a 0.046(3) 0.055(4) 0.054(4) -0.011(3) -0.012(3) -0.009(3)
C24a 0.083(5) 0.055(4) 0.054(4) -0.028(3) -0.009(3) -0.011(3)
C25a 0.088(5) 0.036(3) 0.058(4) -0.017(3) -0.013(4) -0.001(3)
C26a 0.066(4) 0.037(3) 0.058(4) -0.001(3) -0.025(3) 0.003(3)
C27a 0.042(3) 0.038(3) 0.038(3) -0.009(2) -0.003(2) -0.007(2)
C28a 0.042(3) 0.045(3) 0.042(3) -0.003(3) -0.001(2) -0.006(2)
Sn1b 0.0428(2) 0.0290(2) 0.0313(2) -0.0047(2) -0.0061(2) -0.00140(10)
P1b 0.0373(7) 0.0292(6) 0.0345(7) -0.0078(5) -0.0084(6) -0.0038(5)
O1b 0.069(3) 0.029(2) 0.050(2) -0.010(2) -0.022(2) 0.000(2)
O2b 0.059(2) 0.031(2) 0.042(2) -0.006(2) -0.015(2) -0.001(2)
O3b 0.124(4) 0.103(4) 0.050(3) -0.074(3) 0.011(3) -0.031(3)
O4b 0.146(5) 0.107(4) 0.044(3) -0.086(4) 0.019(3) -0.021(3)
O5b 0.050(2) 0.031(2) 0.049(2) -0.006(2) -0.006(2) -0.010(2)
C1b 0.047(3) 0.028(3) 0.032(3) -0.008(2) -0.005(2) 0.000(2)
C2b 0.052(3) 0.039(3) 0.041(3) -0.009(2) -0.010(3) -0.002(2)
C3b 0.073(4) 0.044(3) 0.048(3) -0.016(3) -0.021(3) -0.001(3)
C4b 0.093(5) 0.050(4) 0.035(3) -0.027(3) 0.003(3) -0.003(3)
C5b 0.060(4) 0.066(4) 0.055(4) -0.013(3) 0.015(3) -0.010(3)
C6b 0.048(3) 0.056(4) 0.048(3) -0.012(3) -0.002(3) -0.009(3)
C7b 0.051(3) 0.030(3) 0.032(3) -0.001(2) 0.001(2) 0.004(2)
C8b 0.054(4) 0.056(4) 0.055(4) -0.011(3) 0.006(3) -0.013(3)
C9b 0.052(4) 0.090(5) 0.079(5) -0.012(4) 0.016(4) -0.004(4)
C10b 0.088(6) 0.070(5) 0.079(5) 0.001(4) 0.042(4) -0.005(4)
C11b 0.103(6) 0.062(4) 0.063(4) -0.010(4) 0.030(4) -0.013(4)
C12b 0.080(5) 0.049(4) 0.042(3) -0.013(3) 0.014(3) -0.013(3)
C13b 0.044(3) 0.034(3) 0.040(3) -0.012(2) -0.010(2) 0.005(2)
C14b 0.064(4) 0.060(4) 0.045(3) -0.016(3) -0.016(3) -0.001(3)
C15b 0.087(5) 0.073(5) 0.061(4) -0.021(4) -0.040(4) 0.007(4)
C16b 0.076(5) 0.059(4) 0.092(5) -0.013(4) -0.045(4) 0.019(4)
C17b 0.071(5) 0.060(4) 0.100(6) 0.006(4) -0.034(4) -0.013(4)
C18b 0.062(4) 0.049(4) 0.061(4) -0.005(3) -0.023(3) -0.006(3)
C19b 0.043(3) 0.031(3) 0.040(3) -0.009(2) 0.006(2) -0.008(2)
C20b 0.041(3) 0.033(3) 0.044(3) -0.007(2) -0.006(2) -0.007(2)
C21b 0.052(3) 0.043(3) 0.044(3) -0.011(3) -0.009(3) -0.009(2)
C22b 0.047(3) 0.038(3) 0.049(3) -0.009(2) -0.007(3) -0.007(2)
C23b 0.061(4) 0.055(4) 0.055(4) -0.020(3) -0.004(3) -0.003(3)
C24b 0.072(5) 0.062(4) 0.082(5) -0.034(4) 0.002(4) -0.013(4)
C25b 0.114(7) 0.089(6) 0.100(6) -0.062(5) 0.001(5) -0.035(5)
C26b 0.146(8) 0.127(7) 0.078(5) -0.095(7) 0.012(5) -0.047(5)
C27b 0.076(5) 0.067(4) 0.059(4) -0.039(4) 0.005(3) -0.023(3)
C28b 0.077(5) 0.069(4) 0.049(4) -0.034(4) 0.007(3) -0.021(3)
C29b 0.038(3) 0.042(3) 0.043(3) -0.005(2) -0.011(2) -0.013(2)
C30b 0.064(4) 0.043(3) 0.062(4) -0.002(3) -0.013(3) -0.013(3)
C31b 0.066(4) 0.065(4) 0.087(5) 0.016(4) -0.016(4) -0.044(4)
C32b 0.042(4) 0.101(6) 0.076(5) -0.002(4) -0.005(3) -0.050(4)
C33b 0.041(3) 0.091(5) 0.053(4) -0.022(3) -0.001(3) -0.029(3)
C34b 0.041(3) 0.048(3) 0.043(3) -0.012(2) -0.010(2) -0.009(3)
C35b 0.038(3) 0.053(3) 0.037(3) -0.006(2) -0.006(2) -0.015(2)
C36b 0.067(4) 0.085(5) 0.068(4) -0.035(4) -0.008(3) -0.024(4)
C37b 0.072(6) 0.190(10) 0.108(7) -0.070(6) -0.003(5) -0.072(7)
C38b 0.049(5) 0.260(10) 0.096(7) -0.015(7) -0.018(4) -0.099(9)
C39b 0.058(5) 0.190(10) 0.062(5) 0.049(6) -0.029(4) -0.056(6)
C40b 0.052(4) 0.083(5) 0.058(4) 0.011(3) -0.015(3) -0.022(3)
C41b 0.068(4) 0.030(3) 0.042(3) -0.014(3) -0.024(3) -0.001(2)
C42b 0.092(5) 0.062(4) 0.040(3) -0.035(4) 0.002(3) -0.011(3)
C43b 0.165(9) 0.084(5) 0.040(4) -0.077(6) -0.003(5) 0.003(4)
C44b 0.230(10) 0.059(5) 0.054(5) -0.070(6) -0.058(6) 0.017(4)
C45b 0.160(9) 0.055(4) 0.083(6) -0.021(5) -0.077(6) 0.013(4)
C46b 0.093(5) 0.047(4) 0.068(4) -0.014(3) -0.041(4) 0.002(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(3) yes
Sn1a C13a . 2.130(3) yes
Sn1a C7a . 2.135(3) yes
Sn1a O1a . 2.118(3) yes
Sn1a O2b . 2.514(3) yes
O1a C19a . 1.271(6) no
O2a C19a . 1.210(6) no
O3a C28a . 1.376(6) no
O3a C27a . 1.376(6) no
O4a C28a . 1.197(6) 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 . 1.506(7) no
C20a C21a . 1.332(7) no
C20a C28a . 1.457(7) no
C21a C22a . 1.436(7) no
C22a C27a . 1.388(7) no
C22a C23a . 1.392(7) no
C23a C24a . 1.369(8) no
C24a C25a . 1.378(8) no
C25a C26a . 1.378(8) no
C26a C27a . 1.380(7) no
Sn1b C1b . 2.128(2) yes
Sn1b C7b . 2.139(3) yes
Sn1b C13b . 2.141(3) yes
Sn1b O1b . 2.143(3) yes
Sn1b O5b . 2.369(3) yes
P1b C29b . 1.804(3) yes
P1b C35b . 1.789(3) yes
P1b C41b . 1.792(3) yes
P1b O5b . 1.492(3) yes
O1b C19b . 1.272(6) no
O2b C19b . 1.233(6) no
O3b C28b . 1.374(7) no
O3b C27b . 1.380(7) no
O4b C28b . 1.188(7) 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 . 1.511(7) no
C20b C21b . 1.332(7) no
C20b C28b . 1.467(7) no
C21b C22b . 1.430(7) no
C22b C27b . 1.357(8) no
C22b C23b . 1.408(7) no
C23b C24b . 1.355(8) no
C24b C25b . 1.364(9) no
C25b C26b . 1.370(10) no
C26b C27b . 1.390(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