#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:31:07 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178516 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/19/4061990.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_4061990
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C89 H93 Au2 Cl2 O7 P2'
_chemical_formula_sum            'C89 H93 Au2 Cl2 O7 P2'
_chemical_formula_weight         1801.41
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.33(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.033(4)
_cell_length_b                   13.257(3)
_cell_length_c                   28.870(5)
_cell_measurement_temperature    301(2)
_cell_volume                     8344(3)
_diffrn_ambient_temperature      301(2)
_exptl_crystal_density_diffrn    1.434
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061990
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.289249(18) 0.73217(3) 0.052415(15) 0.07980(17) Uani 1 1 d . . .
Au2 Au 0.488080(18) 1.09609(3) 0.136481(15) 0.08830(18) Uani 1 1 d . . .
P1 P 0.37195(11) 0.64158(16) 0.03665(9) 0.0700(6) Uani 1 1 d . . .
P2 P 0.57908(12) 1.0148(2) 0.15831(11) 0.0903(8) Uani 1 1 d . . .
O1 O 0.0026(3) 1.1834(4) 0.0746(2) 0.0836(18) Uani 1 1 d . . .
O2 O -0.0938(3) 1.3073(6) 0.0909(3) 0.110(2) Uani 1 1 d . . .
O3 O -0.0578(4) 1.5173(6) 0.1054(3) 0.113(2) Uani 1 1 d . . .
O4 O 0.0681(4) 1.5990(5) 0.1291(3) 0.102(2) Uani 1 1 d . . .
O5 O 0.1568(3) 1.4716(4) 0.1042(2) 0.0796(17) Uani 1 1 d . . .
O6 O 0.0993(3) 1.2787(4) 0.1419(2) 0.0776(16) Uani 1 1 d . . .
O7 O 0.0953(3) 1.3249(4) 0.0345(2) 0.0759(16) Uani 1 1 d . . .
C1 C 0.2187(5) 0.8216(7) 0.0622(4) 0.093(3) Uani 1 1 d . . .
C2 C 0.1808(4) 0.8842(7) 0.0670(4) 0.082(3) Uani 1 1 d . . .
C3 C 0.1352(4) 0.9599(7) 0.0710(4) 0.078(3) Uani 1 1 d . . .
C4 C 0.1145(4) 0.9834(6) 0.1124(4) 0.080(3) Uani 1 1 d . . .
H4 H 0.1294 0.9478 0.1394 0.096 Uiso 1 1 calc R . .
C5 C 0.0709(4) 1.0610(7) 0.1146(4) 0.079(3) Uani 1 1 d . . .
C6 C 0.0460(4) 1.1089(7) 0.0743(4) 0.078(3) Uani 1 1 d . . .
C7 C 0.0687(4) 1.0911(6) 0.0317(4) 0.081(3) Uani 1 1 d . . .
C8 C 0.1145(4) 1.0156(6) 0.0311(4) 0.079(3) Uani 1 1 d . . .
H8 H 0.1307 1.0034 0.0037 0.095 Uiso 1 1 calc R . .
C9 C 0.0535(5) 1.0891(7) 0.1612(4) 0.089(3) Uani 1 1 d . . .
H9A H 0.0185 1.1343 0.1563 0.107 Uiso 1 1 calc R . .
H9B H 0.0410 1.0287 0.1762 0.107 Uiso 1 1 calc R . .
C10 C 0.1035(5) 1.1384(7) 0.1930(4) 0.080(3) Uani 1 1 d . . .
C11 C 0.1261(4) 1.2308(7) 0.1820(3) 0.071(2) Uani 1 1 d . . .
C12 C 0.1766(4) 1.2776(7) 0.2096(3) 0.079(3) Uani 1 1 d . . .
C13 C 0.2023(5) 1.2293(10) 0.2503(4) 0.098(3) Uani 1 1 d . . .
H13 H 0.2358 1.2585 0.2687 0.118 Uiso 1 1 calc R . .
C14 C 0.1797(6) 1.1403(11) 0.2639(4) 0.118(4) Uani 1 1 d . . .
H14 H 0.1967 1.1103 0.2920 0.141 Uiso 1 1 calc R . .
C15 C 0.1324(6) 1.0961(8) 0.2364(5) 0.106(4) Uani 1 1 d . . .
H15 H 0.1178 1.0349 0.2460 0.128 Uiso 1 1 calc R . .
C16 C 0.1998(4) 1.3759(7) 0.1925(4) 0.084(3) Uani 1 1 d . . .
H16A H 0.2298 1.4046 0.2168 0.101 Uiso 1 1 calc R . .
H16B H 0.1659 1.4230 0.1862 0.101 Uiso 1 1 calc R . .
C17 C 0.2294(4) 1.3621(6) 0.1477(3) 0.071(2) Uani 1 1 d . . .
C18 C 0.2071(4) 1.4079(5) 0.1060(3) 0.066(2) Uani 1 1 d . . .
C19 C 0.2322(4) 1.3886(6) 0.0651(3) 0.069(2) Uani 1 1 d . . .
C20 C 0.2815(4) 1.3251(7) 0.0677(3) 0.074(2) Uani 1 1 d . . .
H20 H 0.2977 1.3105 0.0404 0.089 Uiso 1 1 calc R . .
C21 C 0.3081(4) 1.2823(6) 0.1090(3) 0.070(2) Uani 1 1 d . . .
C22 C 0.2806(4) 1.3010(7) 0.1479(3) 0.073(2) Uani 1 1 d . . .
H22 H 0.2972 1.2709 0.1760 0.087 Uiso 1 1 calc R . .
C23 C 0.3637(4) 1.2214(7) 0.1139(4) 0.078(3) Uani 1 1 d . . .
C24 C 0.4098(5) 1.1730(8) 0.1205(3) 0.083(3) Uani 1 1 d . . .
C25 C 0.2023(4) 1.4279(7) 0.0175(4) 0.084(3) Uani 1 1 d . . .
H25A H 0.1707 1.4764 0.0222 0.100 Uiso 1 1 calc R . .
H25B H 0.2329 1.4626 0.0025 0.100 Uiso 1 1 calc R . .
C26 C 0.1741(4) 1.3454(7) -0.0142(3) 0.076(2) Uani 1 1 d . . .
C27 C 0.1234(4) 1.2929(8) -0.0038(3) 0.081(3) Uani 1 1 d . . .
C28 C 0.0980(4) 1.2091(7) -0.0298(3) 0.079(3) Uani 1 1 d . . .
C29 C 0.1251(6) 1.1844(10) -0.0683(4) 0.109(4) Uani 1 1 d . . .
H29 H 0.1087 1.1308 -0.0868 0.131 Uiso 1 1 calc R . .
C30 C 0.1737(7) 1.2325(11) -0.0810(5) 0.120(4) Uani 1 1 d . . .
H30 H 0.1902 1.2120 -0.1074 0.144 Uiso 1 1 calc R . .
C31 C 0.1999(5) 1.3156(10) -0.0536(4) 0.104(3) Uani 1 1 d . . .
H31 H 0.2338 1.3494 -0.0618 0.125 Uiso 1 1 calc R . .
C32 C 0.0471(5) 1.1508(8) -0.0131(4) 0.090(3) Uani 1 1 d . . .
H32A H 0.0298 1.1044 -0.0375 0.108 Uiso 1 1 calc R . .
H32B H 0.0150 1.1972 -0.0073 0.108 Uiso 1 1 calc R . .
C33 C 0.0484(5) 1.3987(8) 0.0239(4) 0.100(3) Uani 1 1 d . . .
H33A H 0.0319 1.4158 0.0519 0.150 Uiso 1 1 calc R . .
H33B H 0.0163 1.3721 0.0011 0.150 Uiso 1 1 calc R . .
H33C H 0.0653 1.4580 0.0116 0.150 Uiso 1 1 calc R . .
C34 C 0.0518(5) 1.3467(7) 0.1491(4) 0.092(3) Uani 1 1 d . . .
H34A H 0.0350 1.3767 0.1198 0.138 Uiso 1 1 calc R . .
H34B H 0.0682 1.3985 0.1706 0.138 Uiso 1 1 calc R . .
H34C H 0.0201 1.3108 0.1618 0.138 Uiso 1 1 calc R . .
C35 C -0.0577(5) 1.1500(9) 0.0650(5) 0.120(4) Uani 1 1 d . . .
H35A H -0.0691 1.1162 0.0923 0.144 Uiso 1 1 calc R . .
H35B H -0.0616 1.1021 0.0394 0.144 Uiso 1 1 calc R . .
C36 C -0.1000(5) 1.2389(11) 0.0521(5) 0.131(5) Uani 1 1 d . . .
H36A H -0.0892 1.2725 0.0246 0.157 Uiso 1 1 calc R . .
H36B H -0.1422 1.2158 0.0451 0.157 Uiso 1 1 calc R . .
C37 C -0.1287(6) 1.3973(9) 0.0831(6) 0.134(5) Uani 1 1 d . . .
H37A H -0.1717 1.3815 0.0828 0.161 Uiso 1 1 calc R . .
H37B H -0.1239 1.4242 0.0526 0.161 Uiso 1 1 calc R . .
C38 C -0.1106(6) 1.4732(10) 0.1182(6) 0.127(5) Uani 1 1 d . . .
H38A H -0.1428 1.5231 0.1184 0.153 Uiso 1 1 calc R . .
H38B H -0.1019 1.4429 0.1490 0.153 Uiso 1 1 calc R . .
C39 C -0.0390(6) 1.5965(10) 0.1346(6) 0.125(5) Uani 1 1 d . . .
H39A H -0.0252 1.5713 0.1659 0.150 Uiso 1 1 calc R . .
H39B H -0.0733 1.6417 0.1362 0.150 Uiso 1 1 calc R . .
C40 C 0.0126(6) 1.6539(8) 0.1171(5) 0.113(4) Uani 1 1 d . . .
H40A H 0.0038 1.6620 0.0834 0.136 Uiso 1 1 calc R . .
H40B H 0.0165 1.7203 0.1312 0.136 Uiso 1 1 calc R . .
C41 C 0.1153(5) 1.6373(7) 0.1042(4) 0.098(3) Uani 1 1 d . . .
H41A H 0.1248 1.7066 0.1133 0.118 Uiso 1 1 calc R . .
H41B H 0.1012 1.6358 0.0707 0.118 Uiso 1 1 calc R . .
C42 C 0.1712(5) 1.5730(7) 0.1156(5) 0.102(4) Uani 1 1 d . . .
H42A H 0.2029 1.5962 0.0982 0.122 Uiso 1 1 calc R . .
H42B H 0.1867 1.5784 0.1487 0.122 Uiso 1 1 calc R . .
C43 C 0.3544(3) 0.5582(4) -0.01363(18) 0.069(2) Uani 1 1 d G . .
C44 C 0.3789(3) 0.4618(4) -0.01474(19) 0.076(2) Uani 1 1 d G . .
H44 H 0.4020 0.4350 0.0119 0.091 Uiso 1 1 calc R . .
C45 C 0.3688(3) 0.4054(3) -0.0557(2) 0.087(3) Uani 1 1 d G . .
H45 H 0.3852 0.3409 -0.0565 0.105 Uiso 1 1 calc R . .
C46 C 0.3342(3) 0.4454(5) -0.09558(19) 0.093(3) Uani 1 1 d G . .
C47 C 0.3097(3) 0.5418(5) -0.09447(19) 0.102(3) Uani 1 1 d G . .
H47 H 0.2866 0.5685 -0.1211 0.122 Uiso 1 1 calc R . .
C48 C 0.3198(3) 0.5982(4) -0.0535(2) 0.091(3) Uani 1 1 d G . .
H48 H 0.3034 0.6627 -0.0528 0.109 Uiso 1 1 calc R . .
C49 C 0.3270(7) 0.3842(10) -0.1407(5) 0.132(5) Uani 1 1 d . . .
H49A H 0.3469 0.3201 -0.1349 0.198 Uiso 1 1 calc R . .
H49B H 0.3452 0.4201 -0.1640 0.198 Uiso 1 1 calc R . .
H49C H 0.2842 0.3737 -0.1516 0.198 Uiso 1 1 calc R . .
C50 C 0.4121(3) 0.5656(4) 0.08383(18) 0.067(2) Uani 1 1 d G . .
C51 C 0.4735(3) 0.5409(5) 0.0840(2) 0.083(3) Uani 1 1 d G . .
H51 H 0.4944 0.5651 0.0605 0.099 Uiso 1 1 calc R . .
C52 C 0.5036(2) 0.4799(5) 0.1192(2) 0.094(3) Uani 1 1 d G . .
H52 H 0.5446 0.4634 0.1194 0.113 Uiso 1 1 calc R . .
C53 C 0.4723(3) 0.4437(5) 0.1543(2) 0.092(3) Uani 1 1 d G . .
C54 C 0.4110(3) 0.4684(5) 0.1541(2) 0.106(4) Uani 1 1 d G . .
H54 H 0.3900 0.4442 0.1776 0.128 Uiso 1 1 calc R . .
C55 C 0.3809(2) 0.5294(5) 0.1189(2) 0.089(3) Uani 1 1 d G . .
H55 H 0.3398 0.5459 0.1188 0.106 Uiso 1 1 calc R . .
C56 C 0.5029(7) 0.3744(10) 0.1935(5) 0.146(5) Uani 1 1 d . . .
H56A H 0.5448 0.3628 0.1895 0.219 Uiso 1 1 calc R . .
H56B H 0.4814 0.3113 0.1923 0.219 Uiso 1 1 calc R . .
H56C H 0.5015 0.4059 0.2233 0.219 Uiso 1 1 calc R . .
C57 C 0.4306(3) 0.7233(4) 0.0194(2) 0.073(2) Uani 1 1 d G . .
C58 C 0.4648(3) 0.6952(4) -0.0153(2) 0.087(3) Uani 1 1 d G . .
H58 H 0.4564 0.6347 -0.0313 0.105 Uiso 1 1 calc R . .
C59 C 0.5116(3) 0.7574(6) -0.0261(2) 0.102(3) Uani 1 1 d G . .
H59 H 0.5344 0.7385 -0.0494 0.123 Uiso 1 1 calc R . .
C60 C 0.5241(3) 0.8477(6) -0.0022(3) 0.112(4) Uani 1 1 d G . .
H60 H 0.5554 0.8893 -0.0095 0.134 Uiso 1 1 calc R . .
C61 C 0.4899(4) 0.8759(4) 0.0325(3) 0.114(4) Uani 1 1 d G . .
H61 H 0.4983 0.9363 0.0485 0.137 Uiso 1 1 calc R . .
C62 C 0.4432(3) 0.8137(5) 0.0434(2) 0.090(3) Uani 1 1 d G . .
H62 H 0.4203 0.8325 0.0666 0.108 Uiso 1 1 calc R . .
C64 C 0.6227(3) 0.9931(5) 0.1095(2) 0.084(3) Uani 1 1 d G . .
C65 C 0.6478(3) 0.8991(4) 0.1024(3) 0.103(3) Uani 1 1 d G . .
H65 H 0.6433 0.8462 0.1228 0.124 Uiso 1 1 calc R . .
C66 C 0.6797(3) 0.8842(4) 0.0648(3) 0.109(4) Uani 1 1 d G . .
H66 H 0.6965 0.8213 0.0600 0.131 Uiso 1 1 calc R . .
C67 C 0.6865(3) 0.9632(6) 0.0343(2) 0.104(3) Uani 1 1 d G . .
C68 C 0.6614(4) 1.0572(5) 0.0415(3) 0.121(4) Uani 1 1 d G . .
H68 H 0.6660 1.1100 0.0211 0.145 Uiso 1 1 calc R . .
C69 C 0.6296(4) 1.0721(4) 0.0791(3) 0.114(4) Uani 1 1 d G . .
H69 H 0.6128 1.1350 0.0838 0.137 Uiso 1 1 calc R . .
C70 C 0.7200(7) 0.9439(11) -0.0080(5) 0.082(4) Uani 0.67 1 d P . .
H70A H 0.7342 0.8754 -0.0073 0.123 Uiso 0.67 1 calc PR . .
H70B H 0.7544 0.9889 -0.0067 0.123 Uiso 0.67 1 calc PR . .
H70C H 0.6923 0.9554 -0.0364 0.123 Uiso 0.67 1 calc PR . .
C71 C 0.5720(3) 0.8908(4) 0.1835(2) 0.086(3) Uani 1 1 d G . .
C72 C 0.5206(3) 0.8341(6) 0.1662(2) 0.092(3) Uani 1 1 d G . .
H72 H 0.4913 0.8606 0.1429 0.110 Uiso 1 1 calc R . .
C73 C 0.5131(3) 0.7379(5) 0.1836(3) 0.108(4) Uani 1 1 d G . .
H73 H 0.4787 0.6999 0.1720 0.129 Uiso 1 1 calc R . .
C74 C 0.5569(4) 0.6984(5) 0.2183(3) 0.103(4) Uani 1 1 d G . .
C75 C 0.6082(4) 0.7551(6) 0.2357(2) 0.129(5) Uani 1 1 d G . .
H75 H 0.6375 0.7286 0.2590 0.154 Uiso 1 1 calc R . .
C76 C 0.6158(3) 0.8513(6) 0.2183(3) 0.110(4) Uani 1 1 d G . .
H76 H 0.6501 0.8893 0.2299 0.131 Uiso 1 1 calc R . .
C77 C 0.5581(11) 0.5976(15) 0.2376(8) 0.134(7) Uani 0.67 1 d P . .
H77A H 0.5217 0.5620 0.2243 0.201 Uiso 0.67 1 calc PR . .
H77B H 0.5596 0.6014 0.2710 0.201 Uiso 0.67 1 calc PR . .
H77C H 0.5936 0.5625 0.2303 0.201 Uiso 0.67 1 calc PR . .
C78 C 0.6295(4) 1.0792(6) 0.2026(3) 0.109(4) Uani 1 1 d G . .
C79 C 0.6930(4) 1.0717(8) 0.2060(4) 0.157(6) Uani 1 1 d G . .
H79 H 0.7103 1.0307 0.1853 0.189 Uiso 1 1 calc R . .
C80 C 0.7304(4) 1.1254(9) 0.2403(5) 0.206(9) Uani 1 1 d G . .
H80 H 0.7728 1.1203 0.2426 0.247 Uiso 1 1 calc R . .
C81 C 0.7044(6) 1.1866(9) 0.2712(4) 0.181(9) Uani 1 1 d G . .
C82 C 0.6410(6) 1.1942(8) 0.2679(4) 0.184(8) Uani 1 1 d G . .
H82 H 0.6236 1.2352 0.2885 0.221 Uiso 1 1 calc R . .
C83 C 0.6036(4) 1.1405(7) 0.2335(4) 0.131(5) Uani 1 1 d G . .
H83 H 0.5611 1.1455 0.2313 0.157 Uiso 1 1 calc R . .
C85 C 0.6962(7) 0.4893(10) 0.3520(5) 0.134(5) Uani 1 1 d . . .
H85A H 0.6850 0.5498 0.3677 0.161 Uiso 1 1 calc R . .
H85B H 0.7285 0.4560 0.3730 0.161 Uiso 1 1 calc R . .
Cl1 Cl 0.6338(2) 0.4110(3) 0.3437(2) 0.197(2) Uani 1 1 d . . .
Cl2 Cl 0.7247(3) 0.5237(5) 0.3041(3) 0.221(3) Uani 1 1 d . . .
C84 C 0.7583(16) 1.252(2) 0.3002(12) 0.219(14) Uiso 0.67 1 d P . .
H84A H 0.7973 1.2247 0.2956 0.328 Uiso 0.67 1 calc PR . .
H84B H 0.7544 1.2498 0.3329 0.328 Uiso 0.67 1 calc PR . .
H84C H 0.7553 1.3206 0.2895 0.328 Uiso 0.67 1 calc PR . .
C89 C 0.8435(13) 0.974(2) 0.1741(10) 0.247(11) Uiso 1 1 d D . .
C88 C 0.9057(15) 0.947(3) 0.2039(12) 0.306(15) Uiso 1 1 d D . .
C87 C 0.9523(15) 0.856(2) 0.2025(10) 0.270(12) Uiso 1 1 d D . .
C86 C 1.0195(16) 0.815(3) 0.2305(13) 0.342(17) Uiso 1 1 d D . .
C91 C 1.0864(18) 0.766(3) 0.2526(15) 0.38(2) Uiso 1 1 d D . .
C90 C 0.823(3) 1.057(4) 0.137(2) 0.62(4) Uiso 1 1 d D . .
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
Au1 C1 2.007(11) . ?
Au1 P1 2.282(2) . ?
Au2 C24 1.998(10) . ?
Au2 P2 2.283(3) . ?
P1 C57 1.810(5) . ?
P1 C50 1.818(5) . ?
P1 C43 1.821(5) . ?
P2 C78 1.786(7) . ?
P2 C71 1.813(6) . ?
P2 C64 1.840(6) . ?
O1 C6 1.376(10) . ?
O1 C35 1.390(12) . ?
O2 C37 1.419(12) . ?
O2 C36 1.433(14) . ?
O3 C39 1.373(15) . ?
O3 C38 1.398(14) . ?
O4 C40 1.423(12) . ?
O4 C41 1.439(13) . ?
O5 C18 1.389(9) . ?
O5 C42 1.408(10) . ?
O6 C11 1.376(11) . ?
O6 C34 1.418(11) . ?
O7 C27 1.408(11) . ?
O7 C33 1.425(10) . ?
C1 C2 1.199(12) . ?
C2 C3 1.438(13) . ?
C3 C4 1.374(13) . ?
C3 C8 1.388(13) . ?
C4 C5 1.415(12) . ?
C5 C6 1.367(14) . ?
C5 C9 1.499(14) . ?
C6 C7 1.414(14) . ?
C7 C8 1.423(12) . ?
C7 C32 1.532(14) . ?
C9 C10 1.479(14) . ?
C10 C11 1.376(13) . ?
C10 C15 1.435(15) . ?
C11 C12 1.415(13) . ?
C12 C13 1.384(14) . ?
C12 C16 1.509(13) . ?
C13 C14 1.361(16) . ?
C14 C15 1.350(16) . ?
C16 C17 1.540(13) . ?
C17 C18 1.374(12) . ?
C17 C22 1.388(12) . ?
C18 C19 1.398(12) . ?
C19 C20 1.369(11) . ?
C19 C25 1.527(13) . ?
C20 C21 1.372(12) . ?
C21 C22 1.375(12) . ?
C21 C23 1.457(12) . ?
C23 C24 1.194(12) . ?
C25 C26 1.502(13) . ?
C26 C27 1.386(13) . ?
C26 C31 1.399(14) . ?
C27 C28 1.411(14) . ?
C28 C29 1.375(15) . ?
C28 C32 1.498(14) . ?
C29 C30 1.342(18) . ?
C30 C31 1.428(18) . ?
C35 C36 1.515(16) . ?
C37 C38 1.443(18) . ?
C39 C40 1.515(17) . ?
C41 C42 1.496(13) . ?
C43 C44 1.3900 . ?
C43 C48 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
C46 C47 1.3900 . ?
C46 C49 1.523(12) . ?
C47 C48 1.3900 . ?
C50 C51 1.3900 . ?
C50 C55 1.3900 . ?
C51 C52 1.3900 . ?
C52 C53 1.3900 . ?
C53 C54 1.3900 . ?
C53 C56 1.536(12) . ?
C54 C55 1.3900 . ?
C57 C58 1.3900 . ?
C57 C62 1.3900 . ?
C58 C59 1.3900 . ?
C59 C60 1.3900 . ?
C60 C61 1.3900 . ?
C61 C62 1.3900 . ?
C64 C65 1.3900 . ?
C64 C69 1.3900 . ?
C65 C66 1.3900 . ?
C66 C67 1.3900 . ?
C67 C68 1.3900 . ?
C67 C70 1.538(14) . ?
C68 C69 1.3900 . ?
C71 C72 1.3900 . ?
C71 C76 1.3900 . ?
C72 C73 1.3900 . ?
C73 C74 1.3900 . ?
C74 C75 1.3900 . ?
C74 C77 1.45(2) . ?
C75 C76 1.3900 . ?
C78 C79 1.3900 . ?
C78 C83 1.3900 . ?
C79 C80 1.3900 . ?
C80 C81 1.3900 . ?
C81 C82 1.3900 . ?
C81 C84 1.60(3) . ?
C82 C83 1.3900 . ?
C85 Cl2 1.664(15) . ?
C85 Cl1 1.711(14) . ?
C89 C88 1.551(18) . ?
C89 C90 1.56(2) . ?
C88 C87 1.581(18) . ?
C87 C86 1.673(18) . ?
C86 C91 1.653(19) . ?
