#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:31:07 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178516 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/19/4061989.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_4061989
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C87 H89 Au2 Cl2 O7 P2'
_chemical_formula_sum            'C87 H89 Au2 Cl2 O7 P2'
_chemical_formula_weight         1773.36
_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                 98.41(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.277(4)
_cell_length_b                   13.109(2)
_cell_length_c                   27.775(5)
_cell_measurement_temperature    301(2)
_cell_volume                     8024(2)
_diffrn_ambient_temperature      301(2)
_exptl_crystal_density_diffrn    1.468
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061989
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 0.28892(2) 0.72637(4) 0.04952(2) 0.0866(2) Uani 1 1 d . . .
Au2 Au 0.48532(2) 1.08954(4) 0.139287(18) 0.0789(2) Uani 1 1 d . . .
P1 P 0.37055(15) 0.6359(2) 0.03195(12) 0.0752(9) Uani 1 1 d . . .
P2 P 0.57561(15) 1.0062(2) 0.16026(12) 0.0762(9) Uani 1 1 d . . .
O1 O 0.0074(3) 1.1826(6) 0.0785(3) 0.088(3) Uani 1 1 d . . .
O2 O -0.0890(4) 1.3081(7) 0.0936(3) 0.097(3) Uani 1 1 d . . .
O3 O -0.0553(5) 1.5181(7) 0.1078(4) 0.102(3) Uani 1 1 d . . .
O4 O 0.0709(4) 1.6020(6) 0.1329(3) 0.096(3) Uani 1 1 d . . .
O5 O 0.1586(3) 1.4735(5) 0.1075(3) 0.072(2) Uani 1 1 d . . .
O6 O 0.1025(4) 1.2771(5) 0.1469(3) 0.076(2) Uani 1 1 d . . .
O7 O 0.0984(3) 1.3249(6) 0.0366(3) 0.078(2) Uani 1 1 d . . .
C1 C 0.2202(7) 0.8140(9) 0.0630(5) 0.094(4) Uani 1 1 d . . .
C2 C 0.1837(6) 0.8775(9) 0.0683(5) 0.087(4) Uani 1 1 d . . .
C3 C 0.1383(6) 0.9569(9) 0.0720(6) 0.084(4) Uani 1 1 d . . .
C4 C 0.1186(6) 0.9796(9) 0.1156(6) 0.093(4) Uani 1 1 d . . .
H4 H 0.1345 0.9426 0.1431 0.111 Uiso 1 1 calc R . .
C5 C 0.0755(6) 1.0565(9) 0.1205(6) 0.083(4) Uani 1 1 d . . .
C6 C 0.0516(5) 1.1074(8) 0.0763(6) 0.079(4) Uani 1 1 d . . .
C7 C 0.0717(5) 1.0891(9) 0.0318(5) 0.078(4) Uani 1 1 d . . .
C8 C 0.1166(6) 1.0123(8) 0.0313(5) 0.081(4) Uani 1 1 d . . .
H8 H 0.1317 0.9991 0.0024 0.098 Uiso 1 1 calc R . .
C9 C 0.0583(8) 1.0852(10) 0.1700(5) 0.108(5) Uani 1 1 d . . .
H9A H 0.0242 1.1320 0.1651 0.130 Uiso 1 1 calc R . .
H9B H 0.0452 1.0242 0.1853 0.130 Uiso 1 1 calc R . .
C10 C 0.1094(6) 1.1338(9) 0.2035(5) 0.083(4) Uani 1 1 d . . .
C11 C 0.1306(6) 1.2306(8) 0.1900(5) 0.070(3) Uani 1 1 d . . .
C12 C 0.1792(5) 1.2781(8) 0.2181(4) 0.065(3) Uani 1 1 d . . .
C13 C 0.2053(7) 1.2325(12) 0.2587(5) 0.099(4) Uani 1 1 d . . .
H13 H 0.2377 1.2649 0.2775 0.118 Uiso 1 1 calc R . .
C14 C 0.1863(9) 1.1393(17) 0.2740(6) 0.132(7) Uani 1 1 d . . .
H14 H 0.2059 1.1100 0.3026 0.159 Uiso 1 1 calc R . .
C15 C 0.1394(8) 1.0909(11) 0.2475(5) 0.105(5) Uani 1 1 d . . .
H15 H 0.1264 1.0285 0.2581 0.126 Uiso 1 1 calc R . .
C16 C 0.2025(6) 1.3751(8) 0.1985(4) 0.078(4) Uani 1 1 d . . .
H16A H 0.1691 1.4231 0.1922 0.094 Uiso 1 1 calc R . .
H16B H 0.2325 1.4046 0.2234 0.094 Uiso 1 1 calc R . .
C17 C 0.2302(5) 1.3623(7) 0.1532(4) 0.061(3) Uani 1 1 d . . .
C18 C 0.2075(5) 1.4094(8) 0.1099(5) 0.068(3) Uani 1 1 d . . .
C19 C 0.2333(5) 1.3885(7) 0.0671(5) 0.066(3) Uani 1 1 d . . .
C20 C 0.2812(5) 1.3261(8) 0.0706(4) 0.068(3) Uani 1 1 d . . .
H20 H 0.2980 1.3127 0.0425 0.082 Uiso 1 1 calc R . .
C21 C 0.3074(5) 1.2803(8) 0.1132(5) 0.070(3) Uani 1 1 d . . .
C22 C 0.2797(5) 1.2984(8) 0.1541(4) 0.065(3) Uani 1 1 d . . .
H22 H 0.2952 1.2664 0.1831 0.078 Uiso 1 1 calc R . .
C23 C 0.3621(6) 1.2181(9) 0.1173(4) 0.076(3) Uani 1 1 d . . .
C24 C 0.4067(6) 1.1690(9) 0.1241(4) 0.080(4) Uani 1 1 d . . .
C25 C 0.2048(6) 1.4299(8) 0.0179(4) 0.080(4) Uani 1 1 d . . .
H25A H 0.1751 1.4815 0.0228 0.096 Uiso 1 1 calc R . .
H25B H 0.2360 1.4624 0.0023 0.096 Uiso 1 1 calc R . .
C26 C 0.1754(4) 1.3508(5) -0.0140(3) 0.071(3) Uani 1 1 d G . .
C27 C 0.1257(4) 1.2956(7) -0.0033(3) 0.076(4) Uani 1 1 d G . .
C28 C 0.1036(4) 1.2140(6) -0.0326(4) 0.094(4) Uani 1 1 d G . .
C29 C 0.1312(5) 1.1875(6) -0.0726(3) 0.121(7) Uani 1 1 d G . .
H29 H 0.1164 1.1329 -0.0922 0.146 Uiso 1 1 calc R . .
C30 C 0.1809(5) 1.2427(9) -0.0833(3) 0.149(9) Uani 1 1 d G . .
H30 H 0.1993 1.2249 -0.1101 0.179 Uiso 1 1 calc R . .
C31 C 0.2030(4) 1.3243(8) -0.0540(4) 0.108(6) Uani 1 1 d G . .
H31 H 0.2362 1.3612 -0.0612 0.129 Uiso 1 1 calc R . .
C32 C 0.0537(7) 1.1567(11) -0.0147(5) 0.108(6) Uani 1 1 d . . .
H32A H 0.0348 1.1129 -0.0408 0.129 Uiso 1 1 calc R . .
H32B H 0.0232 1.2054 -0.0079 0.129 Uiso 1 1 calc R . .
C33 C 0.0536(6) 1.4006(9) 0.0263(5) 0.096(4) Uani 1 1 d . . .
H33A H 0.0371 1.4169 0.0554 0.144 Uiso 1 1 calc R . .
H33B H 0.0218 1.3758 0.0020 0.144 Uiso 1 1 calc R . .
H33C H 0.0712 1.4606 0.0144 0.144 Uiso 1 1 calc R . .
C34 C 0.0564(6) 1.3446(9) 0.1540(5) 0.097(4) Uani 1 1 d . . .
H34A H 0.0389 1.3732 0.1233 0.145 Uiso 1 1 calc R . .
H34B H 0.0727 1.3983 0.1755 0.145 Uiso 1 1 calc R . .
H34C H 0.0256 1.3088 0.1681 0.145 Uiso 1 1 calc R . .
C35 C -0.0558(6) 1.1508(11) 0.0685(6) 0.122(6) Uani 1 1 d . . .
H35A H -0.0675 1.1173 0.0969 0.146 Uiso 1 1 calc R . .
H35B H -0.0613 1.1030 0.0416 0.146 Uiso 1 1 calc R . .
C36 C -0.0942(6) 1.2439(12) 0.0561(7) 0.121(6) Uani 1 1 d . . .
H36A H -0.0817 1.2777 0.0281 0.146 Uiso 1 1 calc R . .
H36B H -0.1364 1.2238 0.0475 0.146 Uiso 1 1 calc R . .
C37 C -0.1255(6) 1.3955(11) 0.0820(7) 0.118(6) Uani 1 1 d . . .
H37A H -0.1678 1.3784 0.0823 0.142 Uiso 1 1 calc R . .
H37B H -0.1211 1.4190 0.0495 0.142 Uiso 1 1 calc R . .
C38 C -0.1074(7) 1.4757(13) 0.1169(7) 0.116(5) Uani 1 1 d . . .
H38A H -0.1389 1.5273 0.1147 0.140 Uiso 1 1 calc R . .
H38B H -0.1019 1.4477 0.1496 0.140 Uiso 1 1 calc R . .
C39 C -0.0379(8) 1.5939(13) 0.1377(7) 0.119(6) Uani 1 1 d . . .
H39A H -0.0249 1.5669 0.1701 0.143 Uiso 1 1 calc R . .
H39B H -0.0720 1.6390 0.1393 0.143 Uiso 1 1 calc R . .
C40 C 0.0118(7) 1.6521(10) 0.1222(6) 0.117(6) Uani 1 1 d . . .
H40A H 0.0140 1.7181 0.1381 0.140 Uiso 1 1 calc R . .
H40B H 0.0028 1.6638 0.0874 0.140 Uiso 1 1 calc R . .
C41 C 0.1169(7) 1.6389(9) 0.1078(5) 0.094(4) Uani 1 1 d . . .
H41A H 0.1259 1.7094 0.1167 0.112 Uiso 1 1 calc R . .
H41B H 0.1034 1.6361 0.0730 0.112 Uiso 1 1 calc R . .
C42 C 0.1730(5) 1.5748(8) 0.1205(5) 0.087(4) Uani 1 1 d . . .
H42A H 0.2049 1.5993 0.1030 0.104 Uiso 1 1 calc R . .
H42B H 0.1874 1.5793 0.1551 0.104 Uiso 1 1 calc R . .
C43 C 0.3540(6) 0.5508(8) -0.0200(5) 0.072(3) Uani 1 1 d . . .
C44 C 0.3773(6) 0.4559(9) -0.0219(6) 0.087(4) Uani 1 1 d . . .
H44 H 0.3995 0.4280 0.0060 0.104 Uiso 1 1 calc R . .
C45 C 0.3690(7) 0.4005(11) -0.0639(7) 0.104(5) Uani 1 1 d . . .
H45 H 0.3858 0.3358 -0.0652 0.125 Uiso 1 1 calc R . .
C46 C 0.3351(9) 0.4426(16) -0.1042(7) 0.115(6) Uani 1 1 d . . .
C47 C 0.3090(9) 0.5347(16) -0.1028(7) 0.134(6) Uani 1 1 d . . .
H47 H 0.2853 0.5617 -0.1302 0.160 Uiso 1 1 calc R . .
C48 C 0.3184(7) 0.5868(11) -0.0606(6) 0.105(5) Uani 1 1 d . . .
H48 H 0.2999 0.6501 -0.0591 0.125 Uiso 1 1 calc R . .
C49 C 0.324(2) 0.395(4) -0.1421(18) 0.20(2) Uani 0.50 1 d P . .
H49A H 0.3427 0.3286 -0.1381 0.293 Uiso 0.50 1 calc PR . .
H49B H 0.3399 0.4308 -0.1676 0.293 Uiso 0.50 1 calc PR . .
H49C H 0.2810 0.3869 -0.1506 0.293 Uiso 0.50 1 calc PR . .
C50 C 0.4100(6) 0.5590(8) 0.0812(4) 0.066(3) Uani 1 1 d . . .
C51 C 0.4698(7) 0.5351(9) 0.0834(5) 0.094(4) Uani 1 1 d . . .
H51 H 0.4905 0.5585 0.0588 0.113 Uiso 1 1 calc R . .
C52 C 0.5012(8) 0.4773(10) 0.1207(6) 0.102(5) Uani 1 1 d . . .
H52 H 0.5424 0.4640 0.1220 0.122 Uiso 1 1 calc R . .
C53 C 0.4685(9) 0.4399(10) 0.1563(6) 0.097(5) Uani 1 1 d . . .
C54 C 0.4082(9) 0.4627(12) 0.1550(6) 0.115(6) Uani 1 1 d . . .
H54 H 0.3870 0.4384 0.1791 0.138 Uiso 1 1 calc R . .
C55 C 0.3798(6) 0.5212(10) 0.1181(5) 0.094(4) Uani 1 1 d . . .
H55 H 0.3389 0.5366 0.1174 0.113 Uiso 1 1 calc R . .
C56 C 0.5058(10) 0.3745(14) 0.1958(7) 0.065(6) Uani 0.50 1 d P . .
H56A H 0.5469 0.3701 0.1895 0.098 Uiso 0.50 1 calc PR . .
H56B H 0.4886 0.3074 0.1956 0.098 Uiso 0.50 1 calc PR . .
H56C H 0.5051 0.4053 0.2271 0.098 Uiso 0.50 1 calc PR . .
C57 C 0.4283(6) 0.7169(8) 0.0148(5) 0.070(3) Uani 1 1 d . . .
C58 C 0.4632(6) 0.6907(9) -0.0197(5) 0.087(4) Uani 1 1 d . . .
H58 H 0.4546 0.6299 -0.0366 0.105 Uiso 1 1 calc R . .
C59 C 0.5114(7) 0.7507(11) -0.0309(6) 0.105(5) Uani 1 1 d . . .
H59 H 0.5346 0.7308 -0.0546 0.126 Uiso 1 1 calc R . .
C60 C 0.5231(7) 0.8423(13) -0.0049(6) 0.107(5) Uani 1 1 d . . .
H60 H 0.5545 0.8845 -0.0114 0.128 Uiso 1 1 calc R . .
C61 C 0.4879(8) 0.8706(11) 0.0309(6) 0.100(5) Uani 1 1 d . . .
H61 H 0.4958 0.9310 0.0482 0.121 Uiso 1 1 calc R . .
C62 C 0.4411(6) 0.8069(10) 0.0399(5) 0.087(4) Uani 1 1 d . . .
H62 H 0.4177 0.8254 0.0636 0.104 Uiso 1 1 calc R . .
C64 C 0.6183(5) 0.9869(8) 0.1110(4) 0.068(3) Uani 1 1 d . . .
C65 C 0.6444(6) 0.8916(10) 0.1012(5) 0.095(4) Uani 1 1 d . . .
H65 H 0.6396 0.8362 0.1213 0.114 Uiso 1 1 calc R . .
C66 C 0.6754(7) 0.8797(10) 0.0641(6) 0.100(4) Uani 1 1 d . . .
H66 H 0.6907 0.8155 0.0583 0.120 Uiso 1 1 calc R . .
C67 C 0.6856(6) 0.9580(12) 0.0345(5) 0.093(4) Uani 1 1 d . . .
C68 C 0.6613(7) 1.0548(11) 0.0446(6) 0.103(5) Uani 1 1 d . . .
H68 H 0.6680 1.1106 0.0254 0.123 Uiso 1 1 calc R . .
C69 C 0.6285(7) 1.0671(11) 0.0821(6) 0.096(4) Uani 1 1 d . . .
H69 H 0.6129 1.1311 0.0879 0.115 Uiso 1 1 calc R . .
C70 C 0.7197(8) 0.9384(13) -0.0095(6) 0.126(5) Uani 1 1 d . . .
H70A H 0.7232 1.0012 -0.0267 0.190 Uiso 1 1 calc R . .
H70B H 0.6976 0.8897 -0.0310 0.190 Uiso 1 1 calc R . .
H70C H 0.7595 0.9122 0.0019 0.190 Uiso 1 1 calc R . .
C71 C 0.5686(6) 0.8794(9) 0.1845(4) 0.078(4) Uani 1 1 d . . .
C72 C 0.5169(6) 0.8211(11) 0.1673(4) 0.092(4) Uani 1 1 d . . .
H72 H 0.4854 0.8494 0.1458 0.111 Uiso 1 1 calc R . .
C73 C 0.5136(8) 0.7201(10) 0.1828(6) 0.111(5) Uani 1 1 d . . .
H73 H 0.4810 0.6794 0.1697 0.133 Uiso 1 1 calc R . .
C74 C 0.5556(8) 0.6825(11) 0.2154(5) 0.112(6) Uani 1 1 d . . .
H74 H 0.5509 0.6169 0.2271 0.134 Uiso 1 1 calc R . .
C75 C 0.6054(8) 0.7356(11) 0.2327(6) 0.122(7) Uani 1 1 d . . .
H75 H 0.6358 0.7057 0.2547 0.147 Uiso 1 1 calc R . .
C76 C 0.6115(6) 0.8326(9) 0.2180(5) 0.105(5) Uani 1 1 d . . .
H76 H 0.6459 0.8692 0.2309 0.126 Uiso 1 1 calc R . .
C77 C 0.6275(6) 1.0735(8) 0.2054(5) 0.081(4) Uani 1 1 d . . .
C78 C 0.6884(7) 1.0659(12) 0.2090(7) 0.137(7) Uani 1 1 d . . .
H78 H 0.7061 1.0244 0.1877 0.164 Uiso 1 1 calc R . .
C79 C 0.7243(8) 1.1213(15) 0.2451(7) 0.143(7) Uani 1 1 d . . .
H79 H 0.7663 1.1182 0.2472 0.172 Uiso 1 1 calc R . .
C80 C 0.6994(11) 1.1793(13) 0.2770(8) 0.140(8) Uani 1 1 d . . .
H80 H 0.7241 1.2163 0.3007 0.168 Uiso 1 1 calc R . .
C81 C 0.6410(11) 1.1833(15) 0.2747(8) 0.165(9) Uani 1 1 d . . .
H81 H 0.6244 1.2214 0.2978 0.198 Uiso 1 1 calc R . .
C82 C 0.6034(8) 1.1341(12) 0.2401(6) 0.121(5) Uiso 1 1 d . . .
H82 H 0.5616 1.1401 0.2389 0.145 Uiso 1 1 calc R . .
C83 C 0.3032(9) 0.9829(17) 0.1580(8) 0.217(12) Uani 1 1 d D . .
H83A H 0.3126 1.0475 0.1438 0.260 Uiso 1 1 calc R . .
H83B H 0.2709 0.9517 0.1356 0.260 Uiso 1 1 calc R . .
Cl1 Cl 0.3637(4) 0.9092(6) 0.1597(5) 0.331(7) Uani 1 1 d D . .
Cl2 Cl 0.2759(6) 1.0081(8) 0.2085(4) 0.296(5) Uani 1 1 d D . .
C84 C 0.8421(18) 1.315(3) 0.2483(14) 0.156(13) Uiso 0.50 1 d PD . .
C87' C 0.832(2) 1.008(3) 0.1780(18) 0.21(2) Uiso 0.50 1 d PD . .
C87 C 0.810(5) 1.085(5) 0.163(4) 0.52(8) Uiso 0.50 1 d PD . .
C85 C 0.8986(16) 1.232(3) 0.2355(14) 0.309(18) Uiso 1 1 d D . .
C84' C 0.963(2) 1.301(3) 0.2609(16) 0.179(16) Uiso 0.50 1 d PD . .
C86 C 0.869(3) 1.113(4) 0.211(2) 0.51(4) Uiso 1 1 d D . .
C88' C 0.9013(18) 0.959(3) 0.2062(15) 0.174(15) Uiso 0.50 1 d PD . .
C89 C 0.792(5) 1.300(6) 0.178(3) 0.39(5) Uiso 0.50 1 d PD . .
C88 C 0.777(3) 1.198(4) 0.136(2) 0.24(2) Uiso 0.50 1 d PD . .
C89' C 0.952(2) 0.857(4) 0.2063(19) 0.23(2) Uiso 0.50 1 d PD . .
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 1.991(15) . ?
Au1 P1 2.282(3) . ?
Au2 C24 2.028(13) . ?
Au2 P2 2.288(3) . ?
P1 C57 1.786(13) . ?
P1 C43 1.820(12) . ?
P1 C50 1.820(12) . ?
P2 C64 1.794(13) . ?
P2 C77 1.806(12) . ?
P2 C71 1.810(12) . ?
O1 C6 1.401(13) . ?
O1 C35 1.456(15) . ?
O2 C36 1.333(17) . ?
O2 C37 1.415(13) . ?
O3 C39 1.316(18) . ?
O3 C38 1.345(17) . ?
O4 C41 1.410(16) . ?
O4 C40 1.463(15) . ?
O5 C18 1.370(13) . ?
O5 C42 1.401(11) . ?
O6 C34 1.392(14) . ?
O6 C11 1.406(13) . ?
O7 C27 1.394(10) . ?
O7 C33 1.408(12) . ?
C1 C2 1.190(17) . ?
C2 C3 1.464(18) . ?
C3 C8 1.371(16) . ?
C3 C4 1.380(19) . ?
C4 C5 1.413(17) . ?
C5 C6 1.431(17) . ?
C5 C9 1.526(19) . ?
C6 C7 1.395(18) . ?
C7 C8 1.420(16) . ?
C7 C32 1.569(18) . ?
C9 C10 1.504(18) . ?
C10 C15 1.419(17) . ?
C10 C11 1.425(16) . ?
C11 C12 1.385(15) . ?
C12 C13 1.333(16) . ?
C12 C16 1.504(16) . ?
C13 C14 1.38(2) . ?
C14 C15 1.35(2) . ?
C16 C17 1.492(16) . ?
C17 C18 1.378(14) . ?
C17 C22 1.383(15) . ?
C18 C19 1.421(17) . ?
C19 C20 1.337(14) . ?
C19 C25 1.521(15) . ?
C20 C21 1.379(14) . ?
C21 C22 1.387(16) . ?
C21 C23 1.457(17) . ?
C23 C24 1.177(15) . ?
C25 C26 1.457(13) . ?
C26 C27 1.3900 . ?
C26 C31 1.3900 . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
C28 C32 1.488(18) . ?
C29 C30 1.3900 . ?
C30 C31 1.3900 . ?
C35 C36 1.502(18) . ?
C37 C38 1.446(19) . ?
C39 C40 1.46(2) . ?
C41 C42 1.504(16) . ?
C43 C44 1.352(15) . ?
C43 C48 1.364(16) . ?
C44 C45 1.364(18) . ?
C45 C46 1.37(2) . ?
C46 C49 1.22(4) . ?
C46 C47 1.34(2) . ?
C47 C48 1.35(2) . ?
C50 C51 1.361(17) . ?
C50 C55 1.396(17) . ?
C51 C52 1.387(16) . ?
C52 C53 1.40(2) . ?
C53 C54 1.37(2) . ?
C53 C56 1.54(2) . ?
C54 C55 1.361(17) . ?
C57 C58 1.362(17) . ?
C57 C62 1.379(16) . ?
C58 C59 1.404(19) . ?
C59 C60 1.41(2) . ?
C60 C61 1.40(2) . ?
C61 C62 1.388(19) . ?
C64 C69 1.363(17) . ?
C64 C65 1.421(16) . ?
C65 C66 1.334(18) . ?
C66 C67 1.354(18) . ?
C67 C68 1.423(18) . ?
C67 C70 1.55(2) . ?
C68 C69 1.367(19) . ?
C71 C76 1.376(15) . ?
C71 C72 1.407(17) . ?
C72 C73 1.398(17) . ?
C73 C74 1.301(18) . ?
C74 C75 1.339(19) . ?
C75 C76 1.348(17) . ?
C77 C78 1.350(19) . ?
C77 C82 1.41(2) . ?
C78 C79 1.39(2) . ?
C79 C80 1.35(2) . ?
C80 C81 1.30(3) . ?
C81 C82 1.34(2) . ?
C83 Cl2 1.642(15) . ?
C83 Cl1 1.653(15) . ?
C84 C85 1.74(2) . ?
C87' C87 1.18(7) . ?
C87' C88' 1.74(2) . ?
C87' C86 1.78(2) . ?
C87 C88 1.77(2) . ?
C87 C86 1.78(2) . ?
C85 C84' 1.75(2) . ?
C85 C86 1.79(2) . ?
C88' C89' 1.75(2) . ?
C89 C88 1.78(2) . ?
