#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012926.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_2012926
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m466
_journal_page_last  m468
_publ_section_title
;
Chlorotris(2,4,6-trimethylphenyl)tin(IV) and its ethanol hemisolvate
;
loop_
_publ_author_name
  'Geller, Jordan'
  'Wharf, Ivor'
  "B\'elanger-Gari\'epy, Francine"
  'Lebuis, Anne-Marie'
  'Butler,  Ian S.'
  'Gilson, Denis F. R.'
_chemical_name_common  'Trimesityl tin chloride ethanol hemisolvate'
_chemical_formula_moiety  'C27 H33 Cl1 Sn1 , 0.5C2 H6 O'
_chemical_formula_sum  'C28 H36 Cl O0.5 Sn 1'
_chemical_formula_structural  '[Sn Cl (C9 H11)3] , 0.5C2 H6 O'
_chemical_formula_iupac  '[Sn Cl (C9 H11)3] , 0.5C2 H6 O'
_chemical_formula_weight  534.71
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  8.25640(10)
_cell_length_b  16.83630(10)
_cell_length_c  19.57590(10)
_cell_angle_alpha  94.9960(10)
_cell_angle_beta  96.5680(10)
_cell_angle_gamma  90.5390(10)
_cell_volume  2692.54(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.319
_diffrn_ambient_temperature  293(2)
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
  Sn1 0.12279(4) 0.579048(18) 0.243899(15) 0.04721(10) Uani d . 1 . . Sn
  Cl1 -0.15971(17) 0.59857(10) 0.25488(8) 0.0847(5) Uani d . 1 . . Cl
  C111 0.1851(5) 0.6793(3) 0.1888(2) 0.0490(11) Uani d . 1 . . C
  C112 0.1372(6) 0.7558(3) 0.2102(3) 0.0551(12) Uani d . 1 . . C
  C113 0.1692(7) 0.8175(3) 0.1706(3) 0.0699(16) Uani d . 1 . . C
  H113 0.1366 0.8686 0.1845 0.084 Uiso calc R 1 . . H
  C114 0.2465(7) 0.8071(3) 0.1121(3) 0.0666(15) Uani d . 1 . . C
  C115 0.2959(6) 0.7317(3) 0.0934(3) 0.0647(14) Uani d . 1 . . C
  H115 0.3487 0.7230 0.0540 0.078 Uiso calc R 1 . . H
  C116 0.2698(6) 0.6677(3) 0.1315(3) 0.0526(12) Uani d . 1 . . C
  C117 0.0560(7) 0.7744(3) 0.2752(3) 0.0797(18) Uani d . 1 . . C
  H11A -0.0593 0.7645 0.2652 0.120 Uiso calc R 1 . . H
  H11B 0.0759 0.8294 0.2917 0.120 Uiso calc R 1 . . H
  H11C 0.1000 0.7412 0.3099 0.120 Uiso calc R 1 . . H
  C118 0.2836(8) 0.8757(3) 0.0704(3) 0.095(2) Uani d . 1 . . C
  H11D 0.3991 0.8796 0.0685 0.142 Uiso calc R 1 . . H
  H11E 0.2464 0.9245 0.0918 0.142 Uiso calc R 1 . . H
  H11F 0.2289 0.8661 0.0244 0.142 Uiso calc R 1 . . H
  C119 0.3439(7) 0.5891(3) 0.1100(3) 0.0715(16) Uani d . 1 . . C
  H11G 0.2592 0.5491 0.0987 0.107 Uiso calc R 1 . . H
  H11H 0.4194 0.5735 0.1473 0.107 Uiso calc R 1 . . H
  H11I 0.4003 0.5946 0.0704 0.107 Uiso calc R 1 . . H
  C121 0.1088(5) 0.4637(2) 0.1847(2) 0.0446(10) Uani d . 1 . . C
  C122 0.0018(6) 0.4535(3) 0.1236(2) 0.0495(11) Uani d . 1 . . C
  C123 -0.0211(6) 0.3778(3) 0.0902(3) 0.0569(12) Uani d . 1 . . C
  H123 -0.0902 0.3709 0.0490 0.068 Uiso calc R 1 . . H
  C124 0.0553(6) 0.3119(3) 0.1157(3) 0.0595(13) Uani d . 1 . . C
  C125 0.1659(7) 0.3245(3) 0.1732(3) 0.0603(13) Uani d . 1 . . C
  H125 0.2226 0.2813 0.1895 0.072 Uiso calc R 1 . . H
  C126 0.1965(6) 0.3988(3) 0.2078(2) 0.0520(11) Uani d . 1 . . C
  C127 -0.0897(6) 0.5211(3) 0.0913(3) 0.0681(14) Uani d . 1 . . C
  H12A -0.1121 0.5081 0.0424 0.102 Uiso calc R 1 . . H
  H12B -0.0245 0.5692 0.1002 0.102 Uiso calc R 1 . . H
  H12C -0.1905 0.5287 0.1108 0.102 Uiso calc R 1 . . H
  C128 0.0156(8) 0.2290(3) 0.0794(3) 0.0825(18) Uani d . 1 . . C
  H12D -0.0996 0.2185 0.0766 0.124 Uiso calc R 1 . . H
  H12E 0.0733 0.1899 0.1051 0.124 Uiso calc R 1 . . H
  H12F 0.0480 0.2264 0.0337 0.124 Uiso calc R 1 . . H
  C129 0.3274(7) 0.4051(3) 0.2687(3) 0.0798(17) Uani d . 1 . . C
  H12G 0.3701 0.4588 0.2763 0.120 Uiso calc R 1 . . H
  H12H 0.4137 0.3694 0.2594 0.120 Uiso calc R 1 . . H
  H12I 0.2817 0.3912 0.3091 0.120 Uiso calc R 1 . . H
  C131 0.2303(6) 0.5821(3) 0.3498(2) 0.0520(11) Uani d . 1 . . C
  C132 0.3695(6) 0.6295(3) 0.3740(3) 0.0635(14) Uani d . 1 . . C
  C133 0.4272(7) 0.6339(4) 0.4434(3) 0.0754(16) Uani d . 1 . . C
  H133 0.5177 0.6664 0.4594 0.090 Uiso calc R 1 . . H
  C134 0.3555(8) 0.5919(4) 0.4897(3) 0.0819(18) Uani d . 1 . . C
  C135 0.2238(8) 0.5439(4) 0.4645(3) 0.0821(18) Uani d . 1 . . C
  H135 0.1754 0.5143 0.4950 0.098 Uiso calc R 1 . . H
  C136 0.1588(7) 0.5373(3) 0.3951(3) 0.0646(14) Uani d . 1 . . C
  C137 0.4623(7) 0.6746(4) 0.3269(3) 0.0825(18) Uani d . 1 . . C
  H13A 0.4704 0.6419 0.2848 0.124 Uiso calc R 1 . . H
  H13B 0.5697 0.6882 0.3493 0.124 Uiso calc R 1 . . H
  H13C 0.4057 0.7225 0.3166 0.124 Uiso calc R 1 . . H
  C138 0.4222(9) 0.5993(5) 0.5655(3) 0.121(3) Uani d . 1 . . C
  H13D 0.4355 0.5471 0.5813 0.181 Uiso calc R 1 . . H
  H13E 0.3475 0.6286 0.5918 0.181 Uiso calc R 1 . . H
  H13F 0.5258 0.6269 0.5715 0.181 Uiso calc R 1 . . H
  C139 0.0164(8) 0.4807(4) 0.3743(3) 0.091(2) Uani d . 1 . . C
  H13G 0.0197 0.4396 0.4054 0.137 Uiso calc R 1 . . H
  H13H 0.0218 0.4571 0.3282 0.137 Uiso calc R 1 . . H
  H13I -0.0834 0.5093 0.3760 0.137 Uiso calc R 1 . . H
  Sn2 0.74145(4) 0.078734(19) 0.242534(16) 0.05293(11) Uani d . 1 . . Sn
  Cl2 1.03059(17) 0.09686(11) 0.25147(9) 0.0985(5) Uani d . 1 . . Cl
  C211 0.7157(6) -0.0368(3) 0.1860(2) 0.0485(11) Uani d . 1 . . C
  C212 0.6386(6) -0.1000(3) 0.2110(2) 0.0582(13) Uani d . 1 . . C
  C213 0.6516(6) -0.1773(3) 0.1792(3) 0.0629(14) Uani d . 1 . . C
  H213 0.6024 -0.2197 0.1968 0.075 Uiso calc R 1 . . H
  C214 0.7361(6) -0.1922(3) 0.1221(3) 0.0583(13) Uani d . 1 . . C
  C215 0.8006(6) -0.1279(3) 0.0952(3) 0.0566(12) Uani d . 1 . . C
  H215 0.8505 -0.1364 0.0550 0.068 Uiso calc R 1 . . H
  C216 0.7940(6) -0.0505(3) 0.1259(2) 0.0532(12) Uani d . 1 . . C
  C217 0.5371(7) -0.0903(3) 0.2706(3) 0.0843(19) Uani d . 1 . . C
  H21A 0.6075 -0.0863 0.3134 0.126 Uiso calc R 1 . . H
  H21B 0.4649 -0.1356 0.2689 0.126 Uiso calc R 1 . . H
  H21C 0.4743 -0.0428 0.2675 0.126 Uiso calc R 1 . . H
  C218 0.7576(8) -0.2764(3) 0.0918(3) 0.0817(18) Uani d . 1 . . C
  H21D 0.8690 -0.2913 0.1023 0.123 Uiso calc R 1 . . H
  H21E 0.7302 -0.2794 0.0426 0.123 Uiso calc R 1 . . H
  H21F 0.6874 -0.3119 0.1111 0.123 Uiso calc R 1 . . H
  C219 0.8718(7) 0.0146(3) 0.0922(3) 0.0775(17) Uani d . 1 . . C
  H21G 0.8169 0.0637 0.1013 0.116 Uiso calc R 1 . . H
  H21H 0.8636 0.0009 0.0433 0.116 Uiso calc R 1 . . H
  H21I 0.9846 0.0208 0.1105 0.116 Uiso calc R 1 . . H
  C221 0.6560(6) 0.1796(3) 0.1889(2) 0.0518(11) Uani d . 1 . . C
  C222 0.5419(6) 0.1715(3) 0.1298(3) 0.0570(13) Uani d . 1 . . C
  C223 0.4971(7) 0.2379(3) 0.0961(3) 0.0655(14) Uani d . 1 . . C
  H223 0.4231 0.2318 0.0564 0.079 Uiso calc R 1 . . H
  C224 0.5588(7) 0.3131(3) 0.1196(3) 0.0666(15) Uani d . 1 . . C
  C225 0.6675(7) 0.3208(3) 0.1779(3) 0.0691(16) Uani d . 1 . . C
  H225 0.7092 0.3713 0.1943 0.083 Uiso calc R 1 . . H
  C226 0.7183(6) 0.2558(3) 0.2138(3) 0.0618(14) Uani d . 1 . . C
  C227 0.4558(7) 0.0933(3) 0.1031(3) 0.0809(18) Uani d . 1 . . C
  H22A 0.3769 0.1017 0.0646 0.121 Uiso calc R 1 . . H
  H22B 0.4017 0.0731 0.1391 0.121 Uiso calc R 1 . . H
  H22C 0.5341 0.0555 0.0888 0.121 Uiso calc R 1 . . H
  C228 0.5031(8) 0.3849(3) 0.0831(3) 0.093(2) Uani d . 1 . . C
  H22D 0.5308 0.3790 0.0366 0.140 Uiso calc R 1 . . H
  H22E 0.5558 0.4321 0.1070 0.140 Uiso calc R 1 . . H
  H22F 0.3871 0.3894 0.0823 0.140 Uiso calc R 1 . . H
  C229 0.8352(8) 0.2713(3) 0.2797(3) 0.088(2) Uani d . 1 . . C
  H22G 0.9449 0.2624 0.2695 0.133 Uiso calc R 1 . . H
  H22H 0.8086 0.2359 0.3128 0.133 Uiso calc R 1 . . H
  H22I 0.8258 0.3255 0.2983 0.133 Uiso calc R 1 . . H
  C231 0.6915(6) 0.0826(3) 0.3487(2) 0.0592(13) Uani d . 1 . . C
  C232 0.7876(7) 0.0379(4) 0.3950(3) 0.0724(16) Uani d . 1 . . C
  C233 0.7576(9) 0.0432(4) 0.4637(3) 0.0885(19) Uani d . 1 . . C
  H233 0.8181 0.0121 0.4939 0.106 Uiso calc R 1 . . H
  C234 0.6433(9) 0.0920(4) 0.4886(3) 0.0853(19) Uani d . 1 . . C
  C235 0.5464(8) 0.1329(4) 0.4422(3) 0.0820(18) Uani d . 1 . . C
  H235 0.4633 0.1640 0.4579 0.098 Uiso calc R 1 . . H
  C236 0.5686(7) 0.1293(3) 0.3729(3) 0.0664(14) Uani d . 1 . . C
  C237 0.9161(9) -0.0193(4) 0.3737(3) 0.102(2) Uani d . 1 . . C
  H23A 0.8841 -0.0427 0.3275 0.153 Uiso calc R 1 . . H
  H23B 0.9278 -0.0606 0.4047 0.153 Uiso calc R 1 . . H
  H23C 1.0183 0.0089 0.3753 0.153 Uiso calc R 1 . . H
  C238 0.6189(10) 0.0977(5) 0.5646(3) 0.126(3) Uani d . 1 . . C
  H23D 0.5864 0.0465 0.5768 0.188 Uiso calc R 1 . . H
  H23E 0.5357 0.1356 0.5731 0.188 Uiso calc R 1 . . H
  H23F 0.7192 0.1148 0.5919 0.188 Uiso calc R 1 . . H
  C239 0.4485(7) 0.1741(4) 0.3250(3) 0.093(2) Uani d . 1 . . C
  H23G 0.5048 0.2173 0.3083 0.139 Uiso calc R 1 . . H
  H23H 0.3625 0.1948 0.3501 0.139 Uiso calc R 1 . . H
  H23I 0.4031 0.1382 0.2867 0.139 Uiso calc R 1 . . H
  C1 0.886(4) 0.742(2) 0.5695(10) 0.304(18) Uiso d PD 0.50 A -1 C
  H1A 0.9049 0.6960 0.5953 0.456 Uiso calc PR 0.50 A -1 H
  H1B 0.7736 0.7427 0.5512 0.456 Uiso calc PR 0.50 A -1 H
  H1C 0.9145 0.7894 0.5992 0.456 Uiso calc PR 0.50 A -1 H
  C2 0.991(3) 0.737(2) 0.5109(12) 0.26(3) Uiso d PD 0.50 A -1 C
  H2A 1.0763 0.7777 0.5201 0.309 Uiso calc PR 0.50 A -1 H
  H2B 1.0424 0.6854 0.5079 0.309 Uiso calc PR 0.50 A -1 H
  O3 0.896(3) 0.7476(19) 0.4469(10) 0.323(13) Uiso d PD 0.50 A -1 O
  H3 0.9453 0.7778 0.4254 0.485 Uiso calc PR 0.50 A -1 H
  C4 0.881(4) 0.6774(15) 0.4571(17) 0.282(17) Uiso d PD 0.50 B -2 C
  H4A 0.8747 0.6760 0.4077 0.423 Uiso calc PR 0.50 B -2 H
  H4B 0.7738 0.6862 0.4710 0.423 Uiso calc PR 0.50 B -2 H
  H4C 0.9205 0.6276 0.4719 0.423 Uiso calc PR 0.50 B -2 H
  C5 0.995(3) 0.744(2) 0.490(2) 0.29(3) Uiso d PD 0.50 B -2 C
  H5A 1.0855 0.7225 0.5174 0.353 Uiso calc PR 0.50 B -2 H
  H5B 1.0380 0.7713 0.4536 0.353 Uiso calc PR 0.50 B -2 H
  O6 0.914(3) 0.8006(13) 0.5318(15) 0.332(13) Uiso d PD 0.50 B -2 O
  H6 0.8692 0.7772 0.5598 0.498 Uiso calc PR 0.50 B -2 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
  Sn1 0.05002(19) 0.0475(2) 0.04422(18) 0.00201(13) 0.00962(14) -0.00112(13)
  Cl1 0.0566(8) 0.1072(12) 0.0924(11) 0.0131(8) 0.0230(8) 0.0000(9)
  C111 0.049(3) 0.042(3) 0.053(3) -0.003(2) -0.005(2) 0.005(2)
  C112 0.051(3) 0.054(3) 0.055(3) 0.005(2) -0.010(2) -0.007(2)
  C113 0.065(4) 0.044(3) 0.092(5) 0.005(2) -0.025(3) -0.002(3)
  C114 0.064(3) 0.046(3) 0.084(4) -0.008(2) -0.018(3) 0.016(3)
  C115 0.061(3) 0.060(4) 0.073(4) -0.010(3) 0.007(3) 0.010(3)
  C116 0.057(3) 0.040(3) 0.061(3) -0.002(2) 0.005(2) 0.007(2)
  C117 0.095(5) 0.065(4) 0.073(4) 0.025(3) -0.004(3) -0.015(3)
  C118 0.102(5) 0.067(4) 0.114(5) -0.017(3) -0.018(4) 0.043(4)
  C119 0.088(4) 0.056(3) 0.079(4) 0.007(3) 0.042(3) 0.009(3)
  C121 0.052(3) 0.038(3) 0.045(3) 0.0009(19) 0.016(2) 0.0012(18)
  C122 0.054(3) 0.043(3) 0.052(3) -0.001(2) 0.010(2) 0.005(2)
  C123 0.061(3) 0.054(3) 0.056(3) -0.008(2) 0.013(2) 0.000(2)
  C124 0.067(3) 0.048(3) 0.066(3) -0.009(2) 0.029(3) -0.008(2)
  C125 0.077(4) 0.051(3) 0.058(3) 0.010(2) 0.026(3) 0.010(2)
  C126 0.063(3) 0.052(3) 0.044(3) 0.006(2) 0.015(2) 0.007(2)
  C127 0.074(4) 0.060(4) 0.067(4) 0.003(3) -0.006(3) 0.003(3)
  C128 0.099(5) 0.050(4) 0.099(5) -0.015(3) 0.034(4) -0.015(3)
  C129 0.097(5) 0.082(4) 0.057(3) 0.033(3) -0.006(3) 0.004(3)
  C131 0.059(3) 0.055(3) 0.042(3) 0.004(2) 0.008(2) -0.002(2)
  C132 0.058(3) 0.065(4) 0.066(4) 0.012(3) 0.003(3) 0.001(3)
  C133 0.071(4) 0.082(4) 0.067(4) 0.004(3) -0.007(3) -0.008(3)
  C134 0.092(5) 0.105(5) 0.046(3) 0.018(4) -0.001(3) -0.004(3)
  C135 0.101(5) 0.098(5) 0.049(3) 0.008(4) 0.019(3) 0.004(3)
  C136 0.074(4) 0.066(4) 0.053(3) 0.005(3) 0.012(3) -0.005(2)
  C137 0.058(4) 0.101(5) 0.088(5) -0.014(3) 0.004(3) 0.018(4)
  C138 0.126(7) 0.180(8) 0.048(4) 0.016(6) -0.014(4) -0.007(4)
  C139 0.112(5) 0.104(5) 0.059(4) -0.036(4) 0.021(4) 0.007(3)
  Sn2 0.0507(2) 0.0543(2) 0.0520(2) -0.00476(14) 0.00234(15) -0.00032(15)
  Cl2 0.0496(8) 0.1244(15) 0.1185(14) -0.0138(8) 0.0015(8) 0.0054(11)
  C211 0.054(3) 0.047(3) 0.044(3) 0.004(2) 0.001(2) 0.005(2)
  C212 0.058(3) 0.070(4) 0.044(3) -0.011(2) -0.002(2) 0.008(2)
  C213 0.071(4) 0.057(3) 0.058(3) -0.016(3) -0.012(3) 0.015(2)
  C214 0.061(3) 0.044(3) 0.064(3) 0.005(2) -0.016(3) 0.001(2)
  C215 0.061(3) 0.056(3) 0.052(3) 0.012(2) 0.000(2) 0.007(2)
  C216 0.056(3) 0.049(3) 0.056(3) 0.010(2) 0.006(2) 0.015(2)
  C217 0.097(5) 0.092(5) 0.066(4) -0.038(4) 0.026(3) -0.004(3)
  C218 0.091(4) 0.050(4) 0.097(5) 0.009(3) -0.014(4) -0.005(3)
  C219 0.105(5) 0.060(4) 0.076(4) 0.005(3) 0.040(3) 0.014(3)
  C221 0.058(3) 0.043(3) 0.056(3) 0.000(2) 0.016(2) 0.002(2)
  C222 0.052(3) 0.042(3) 0.077(4) 0.003(2) 0.013(3) 0.001(2)
  C223 0.065(3) 0.061(4) 0.071(4) 0.011(3) 0.012(3) 0.011(3)
  C224 0.080(4) 0.048(3) 0.080(4) 0.012(3) 0.039(3) 0.010(3)
  C225 0.084(4) 0.046(3) 0.082(4) -0.007(3) 0.042(3) -0.005(3)
  C226 0.062(3) 0.058(3) 0.067(3) -0.012(2) 0.028(3) -0.011(3)
  C227 0.079(4) 0.051(4) 0.103(5) 0.001(3) -0.029(3) 0.003(3)
  C228 0.114(5) 0.062(4) 0.116(5) 0.015(4) 0.054(4) 0.024(4)
  C229 0.107(5) 0.077(4) 0.077(4) -0.034(4) 0.012(4) -0.021(3)
  C231 0.063(3) 0.064(3) 0.047(3) -0.010(3) 0.004(2) -0.007(2)
  C232 0.076(4) 0.081(4) 0.055(3) -0.003(3) -0.006(3) -0.006(3)
  C233 0.100(5) 0.104(5) 0.057(4) -0.003(4) -0.007(4) 0.002(3)
  C234 0.095(5) 0.109(6) 0.050(4) -0.023(4) 0.010(3) -0.006(3)
  C235 0.079(4) 0.094(5) 0.073(4) -0.016(3) 0.026(3) -0.014(3)
  C236 0.065(3) 0.067(4) 0.067(4) -0.013(3) 0.013(3) -0.003(3)
  C237 0.113(6) 0.113(6) 0.076(5) 0.042(4) -0.005(4) 0.009(4)
  C238 0.148(7) 0.173(8) 0.057(4) -0.036(6) 0.034(4) -0.012(4)
  C239 0.072(4) 0.123(6) 0.089(5) 0.018(4) 0.024(4) 0.018(4)
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
  Sn1 C131 . 2.156(5) y
  Sn1 C121 . 2.168(4) y
  Sn1 C111 . 2.169(4) y
  Sn1 Cl1 . 2.3898(14) y
  C111 C116 . 1.388(6) ?
  C111 C112 . 1.395(6) ?
  C112 C113 . 1.390(7) ?
  C112 C117 . 1.516(7) ?
  C113 C114 . 1.371(8) ?
  C113 H113 . 0.9300 ?
  C114 C115 . 1.370(7) ?
  C114 C118 . 1.520(7) ?
  C115 C116 . 1.391(6) ?
  C115 H115 . 0.9300 ?
  C116 C119 . 1.511(6) ?
  C117 H11A . 0.9600 ?
  C117 H11B . 0.9600 ?
  C117 H11C . 0.9600 ?
  C118 H11D . 0.9600 ?
  C118 H11E . 0.9600 ?
  C118 H11F . 0.9600 ?
  C119 H11G . 0.9600 ?
  C119 H11H . 0.9600 ?
  C119 H11I . 0.9600 ?
  C121 C126 . 1.396(6) ?
  C121 C122 . 1.399(6) ?
  C122 C123 . 1.383(6) ?
  C122 C127 . 1.516(6) ?
  C123 C124 . 1.384(7) ?
  C123 H123 . 0.9300 ?
  C124 C125 . 1.365(7) ?
  C124 C128 . 1.526(6) ?
  C125 C126 . 1.376(7) ?
  C125 H125 . 0.9300 ?
  C126 C129 . 1.511(7) ?
  C127 H12A . 0.9600 ?
  C127 H12B . 0.9600 ?
  C127 H12C . 0.9600 ?
  C128 H12D . 0.9600 ?
  C128 H12E . 0.9600 ?
  C128 H12F . 0.9600 ?
  C129 H12G . 0.9600 ?
  C129 H12H . 0.9600 ?
  C129 H12I . 0.9600 ?
  C131 C136 . 1.389(7) ?
  C131 C132 . 1.405(7) ?
  C132 C133 . 1.383(7) ?
  C132 C137 . 1.513(7) ?
  C133 C134 . 1.377(8) ?
  C133 H133 . 0.9300 ?
  C134 C135 . 1.368(8) ?
  C134 C138 . 1.517(7) ?
  C135 C136 . 1.399(7) ?
  C135 H135 . 0.9300 ?
  C136 C139 . 1.503(7) ?
  C137 H13A . 0.9600 ?
  C137 H13B . 0.9600 ?
  C137 H13C . 0.9600 ?
  C138 H13D . 0.9600 ?
  C138 H13E . 0.9600 ?
  C138 H13F . 0.9600 ?
  C139 H13G . 0.9600 ?
  C139 H13H . 0.9600 ?
  C139 H13I . 0.9600 ?
  Sn2 C211 . 2.149(4) y
  Sn2 C221 . 2.155(5) y
  Sn2 C231 . 2.160(5) y
  Sn2 Cl2 . 2.3884(14) y
  C211 C212 . 1.388(6) ?
  C211 C216 . 1.408(6) ?
  C212 C213 . 1.402(7) ?
  C212 C217 . 1.512(7) ?
  C213 C214 . 1.390(7) ?
  C213 H213 . 0.9300 ?
  C214 C215 . 1.372(7) ?
  C214 C218 . 1.508(7) ?
  C215 C216 . 1.391(6) ?
  C215 H215 . 0.9300 ?
  C216 C219 . 1.503(6) ?
  C217 H21A . 0.9600 ?
  C217 H21B . 0.9600 ?
  C217 H21C . 0.9600 ?
  C218 H21D . 0.9600 ?
  C218 H21E . 0.9600 ?
  C218 H21F . 0.9600 ?
  C219 H21G . 0.9600 ?
  C219 H21H . 0.9600 ?
  C219 H21I . 0.9600 ?
  C221 C222 . 1.402(7) ?
  C221 C226 . 1.403(6) ?
  C222 C223 . 1.379(7) ?
  C222 C227 . 1.514(6) ?
  C223 C224 . 1.381(7) ?
  C223 H223 . 0.9300 ?
  C224 C225 . 1.365(8) ?
  C224 C228 . 1.507(7) ?
  C225 C226 . 1.395(7) ?
  C225 H225 . 0.9300 ?
  C226 C229 . 1.521(7) ?
  C227 H22A . 0.9600 ?
  C227 H22B . 0.9600 ?
  C227 H22C . 0.9600 ?
  C228 H22D . 0.9600 ?
  C228 H22E . 0.9600 ?
  C228 H22F . 0.9600 ?
  C229 H22G . 0.9600 ?
  C229 H22H . 0.9600 ?
  C229 H22I . 0.9600 ?
  C231 C236 . 1.390(7) ?
  C231 C232 . 1.408(7) ?
  C232 C233 . 1.391(8) ?
  C232 C237 . 1.509(8) ?
  C233 C234 . 1.361(9) ?
  C233 H233 . 0.9300 ?
  C234 C235 . 1.375(9) ?
  C234 C238 . 1.520(8) ?
  C235 C236 . 1.387(7) ?
  C235 H235 . 0.9300 ?
  C236 C239 . 1.534(8) ?
  C237 H23A . 0.9600 ?
  C237 H23B . 0.9600 ?
  C237 H23C . 0.9600 ?
  C238 H23D . 0.9600 ?
  C238 H23E . 0.9600 ?
  C238 H23F . 0.9600 ?
  C239 H23G . 0.9600 ?
  C239 H23H . 0.9600 ?
  C239 H23I . 0.9600 ?
  C1 C2 . 1.508(5) ?
  C1 H1A . 0.9600 ?
  C1 H1B . 0.9600 ?
  C1 H1C . 0.9600 ?
  C2 O3 . 1.425(5) ?
  C2 H2A . 0.9700 ?
  C2 H2B . 0.9700 ?
  O3 H3 . 0.8200 ?
  C4 C5 . 1.511(5) ?
  C4 H4A . 0.9600 ?
  C4 H4B . 0.9600 ?
  C4 H4C . 0.9600 ?
  C5 O6 . 1.421(5) ?
  C5 H5A . 0.9700 ?
  C5 H5B . 0.9700 ?
  O6 H6 . 0.8200 ?