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#$Date: 2016-03-21 06:31:07 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178516 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/19/4061992.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_4061992
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C88 H86 Au2 Cl8 O7 P2'
_chemical_formula_sum            'C88 H86 Au2 Cl8 O7 P2'
_chemical_formula_weight         1995.04
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.44(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.499(9)
_cell_length_b                   21.013(4)
_cell_length_c                   20.487(4)
_cell_measurement_temperature    301(2)
_cell_volume                     17253(6)
_diffrn_ambient_temperature      301(2)
_exptl_crystal_density_diffrn    1.536
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061992
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.385691(6) 0.035795(14) 0.587026(15) 0.05940(11) Uani 1 1 d . . .
Au2 Au 0.400222(7) 0.456368(14) 0.620789(17) 0.06708(12) Uani 1 1 d . . .
P1 P 0.42934(4) 0.01639(9) 0.54800(10) 0.0526(5) Uani 1 1 d . . .
P2 P 0.44112(4) 0.47898(9) 0.57440(10) 0.0560(5) Uani 1 1 d . . .
O1 O 0.22921(10) 0.12441(19) 0.7645(2) 0.0485(11) Uani 1 1 d . . .
O2 O 0.18825(10) 0.1225(2) 0.8465(2) 0.0596(12) Uani 1 1 d . . .
O3 O 0.16603(12) 0.2462(2) 0.8799(2) 0.0634(13) Uani 1 1 d . . .
O4 O 0.20049(11) 0.3662(2) 0.8698(2) 0.0613(12) Uani 1 1 d . . .
O5 O 0.23896(10) 0.36516(19) 0.7839(2) 0.0534(11) Uani 1 1 d . . .
O6 O 0.27046(10) 0.23816(19) 0.8431(2) 0.0507(11) Uani 1 1 d . . .
O7 O 0.21884(10) 0.25146(19) 0.6909(2) 0.0492(11) Uani 1 1 d . . .
C1 C 0.34917(17) 0.0586(3) 0.6244(4) 0.0602(19) Uani 1 1 d . . .
C2 C 0.32855(15) 0.0749(3) 0.6482(3) 0.0498(16) Uani 1 1 d . . .
C3 C 0.30322(15) 0.0912(3) 0.6781(4) 0.0483(16) Uani 1 1 d . . .
C4 C 0.31092(15) 0.0954(3) 0.7489(3) 0.0485(16) Uani 1 1 d . . .
H4 H 0.3330 0.0903 0.7770 0.058 Uiso 1 1 calc R . .
C5 C 0.28714(15) 0.1069(3) 0.7796(3) 0.0434(15) Uani 1 1 d . . .
C6 C 0.25398(14) 0.1157(3) 0.7364(3) 0.0428(15) Uani 1 1 d . . .
C7 C 0.24578(14) 0.1164(3) 0.6642(3) 0.0463(16) Uani 1 1 d . . .
C8 C 0.27054(15) 0.1038(3) 0.6363(3) 0.0495(16) Uani 1 1 d . . .
H8 H 0.2653 0.1039 0.5884 0.059 Uiso 1 1 calc R . .
C9 C 0.29769(17) 0.1132(3) 0.8581(3) 0.0550(17) Uani 1 1 d . . .
C10 C 0.31915(16) 0.1729(3) 0.8817(3) 0.0508(16) Uani 1 1 d . . .
C11 C 0.30459(15) 0.2331(3) 0.8733(3) 0.0463(16) Uani 1 1 d . . .
C12 C 0.32347(15) 0.2886(3) 0.8912(3) 0.0505(17) Uani 1 1 d . . .
C13 C 0.35795(18) 0.2816(4) 0.9206(4) 0.069(2) Uani 1 1 d . . .
H13 H 0.3711 0.3177 0.9349 0.083 Uiso 1 1 calc R . .
C14 C 0.37309(18) 0.2231(4) 0.9290(4) 0.074(2) Uani 1 1 d . . .
H14 H 0.3962 0.2199 0.9474 0.089 Uiso 1 1 calc R . .
C15 C 0.35378(17) 0.1693(4) 0.9100(3) 0.065(2) Uani 1 1 d . . .
H15 H 0.3641 0.1296 0.9162 0.078 Uiso 1 1 calc R . .
C16 C 0.30660(16) 0.3542(3) 0.8786(3) 0.0561(18) Uani 1 1 d . . .
C17 C 0.29773(15) 0.3719(3) 0.8024(4) 0.0513(17) Uani 1 1 d . . .
C18 C 0.26479(16) 0.3730(3) 0.7573(4) 0.0496(17) Uani 1 1 d . . .
C19 C 0.25736(15) 0.3809(3) 0.6875(4) 0.0499(17) Uani 1 1 d . . .
C20 C 0.28334(17) 0.3940(3) 0.6626(4) 0.0589(19) Uani 1 1 d . . .
H20 H 0.2786 0.4002 0.6153 0.071 Uiso 1 1 calc R . .
C21 C 0.31608(15) 0.3979(3) 0.7059(4) 0.0564(18) Uani 1 1 d . . .
C22 C 0.32270(16) 0.3851(3) 0.7753(4) 0.0536(17) Uani 1 1 d . . .
H22 H 0.3447 0.3855 0.8048 0.064 Uiso 1 1 calc R . .
C23 C 0.34219(18) 0.4160(3) 0.6791(4) 0.069(2) Uani 1 1 d . . .
C24 C 0.3640(2) 0.4322(4) 0.6590(5) 0.080(2) Uani 1 1 d . . .
C25 C 0.22186(16) 0.3748(3) 0.6373(4) 0.062(2) Uani 1 1 d . . .
H25A H 0.2066 0.3748 0.6635 0.074 Uiso 1 1 calc R . .
H25B H 0.2168 0.4118 0.6073 0.074 Uiso 1 1 calc R . .
C26 C 0.21568(14) 0.3155(3) 0.5927(4) 0.0537(18) Uani 1 1 d . . .
C27 C 0.21479(14) 0.2553(3) 0.6218(3) 0.0493(17) Uani 1 1 d . . .
C28 C 0.21088(14) 0.1995(3) 0.5826(3) 0.0491(17) Uani 1 1 d . . .
C29 C 0.20772(16) 0.2044(4) 0.5130(4) 0.063(2) Uani 1 1 d . . .
H29 H 0.2051 0.1679 0.4861 0.075 Uiso 1 1 calc R . .
C30 C 0.20850(19) 0.2622(5) 0.4842(4) 0.081(3) Uani 1 1 d . . .
H30 H 0.2068 0.2647 0.4378 0.097 Uiso 1 1 calc R . .
C31 C 0.21184(17) 0.3173(5) 0.5222(4) 0.073(2) Uani 1 1 d . . .
H31 H 0.2115 0.3564 0.5006 0.088 Uiso 1 1 calc R . .
C32 C 0.21168(15) 0.1352(3) 0.6176(3) 0.0538(17) Uani 1 1 d . . .
H32A H 0.1968 0.1367 0.6446 0.065 Uiso 1 1 calc R . .
H32B H 0.2034 0.1029 0.5823 0.065 Uiso 1 1 calc R . .
C33 C 0.21463(16) 0.0666(3) 0.7780(4) 0.0596(18) Uani 1 1 d . . .
H33A H 0.2298 0.0456 0.8184 0.072 Uiso 1 1 calc R . .
H33B H 0.2103 0.0380 0.7388 0.072 Uiso 1 1 calc R . .
C34 C 0.18289(17) 0.0823(4) 0.7902(4) 0.064(2) Uani 1 1 d . . .
H34A H 0.1677 0.1025 0.7493 0.077 Uiso 1 1 calc R . .
H34B H 0.1725 0.0433 0.7983 0.077 Uiso 1 1 calc R . .
C35 C 0.15872(18) 0.1355(3) 0.8619(4) 0.070(2) Uani 1 1 d . . .
H35A H 0.1519 0.0976 0.8808 0.083 Uiso 1 1 calc R . .
H35B H 0.1409 0.1468 0.8197 0.083 Uiso 1 1 calc R . .
C36 C 0.1642(2) 0.1880(4) 0.9122(4) 0.073(2) Uani 1 1 d . . .
H36A H 0.1460 0.1894 0.9309 0.087 Uiso 1 1 calc R . .
H36B H 0.1848 0.1809 0.9503 0.087 Uiso 1 1 calc R . .
C37 C 0.17294(19) 0.2979(4) 0.9265(4) 0.074(2) Uani 1 1 d . . .
H37A H 0.1950 0.2928 0.9603 0.089 Uiso 1 1 calc R . .
H37B H 0.1569 0.2984 0.9509 0.089 Uiso 1 1 calc R . .
C38 C 0.17117(17) 0.3594(4) 0.8889(4) 0.067(2) Uani 1 1 d . . .
H38A H 0.1515 0.3600 0.8478 0.080 Uiso 1 1 calc R . .
H38B H 0.1696 0.3945 0.9184 0.080 Uiso 1 1 calc R . .
C39 C 0.19597(17) 0.4125(3) 0.8182(4) 0.067(2) Uani 1 1 d . . .
H39A H 0.1884 0.4519 0.8327 0.080 Uiso 1 1 calc R . .
H39B H 0.1791 0.3984 0.7759 0.080 Uiso 1 1 calc R . .
C40 C 0.22819(17) 0.4239(3) 0.8050(4) 0.064(2) Uani 1 1 d . . .
H40A H 0.2250 0.4556 0.7690 0.077 Uiso 1 1 calc R . .
H40B H 0.2450 0.4394 0.8468 0.077 Uiso 1 1 calc R . .
C41 C 0.25230(16) 0.2371(3) 0.8890(4) 0.065(2) Uani 1 1 d . . .
H41A H 0.2289 0.2410 0.8634 0.098 Uiso 1 1 calc R . .
H41B H 0.2592 0.2719 0.9209 0.098 Uiso 1 1 calc R . .
H41C H 0.2563 0.1977 0.9141 0.098 Uiso 1 1 calc R . .
C42 C 0.18860(17) 0.2538(3) 0.7064(4) 0.0612(19) Uani 1 1 d . . .
H42A H 0.1935 0.2506 0.7555 0.092 Uiso 1 1 calc R . .
H42B H 0.1745 0.2191 0.6839 0.092 Uiso 1 1 calc R . .
H42C H 0.1774 0.2933 0.6901 0.092 Uiso 1 1 calc R . .
C43 C 0.45927(17) -0.0430(3) 0.5971(4) 0.0582(18) Uani 1 1 d . . .
C44 C 0.44835(18) -0.1027(4) 0.6123(4) 0.065(2) Uani 1 1 d . . .
C45 C 0.4721(2) -0.1450(4) 0.6495(4) 0.087(3) Uani 1 1 d . . .
H45 H 0.4652 -0.1841 0.6612 0.104 Uiso 1 1 calc R . .
C46 C 0.5051(3) -0.1323(6) 0.6701(5) 0.105(3) Uani 1 1 d . . .
H46 H 0.5205 -0.1630 0.6934 0.126 Uiso 1 1 calc R . .
C47 C 0.5159(2) -0.0730(5) 0.6563(5) 0.093(3) Uani 1 1 d . . .
H47 H 0.5385 -0.0628 0.6718 0.111 Uiso 1 1 calc R . .
C48 C 0.49275(17) -0.0303(4) 0.6196(4) 0.070(2) Uani 1 1 d . . .
H48 H 0.4999 0.0092 0.6095 0.084 Uiso 1 1 calc R . .
C49 C 0.4123(2) -0.1211(4) 0.5911(5) 0.091(3) Uani 1 1 d . . .
H49A H 0.3988 -0.0870 0.5652 0.137 Uiso 1 1 calc R . .
H49B H 0.4063 -0.1293 0.6317 0.137 Uiso 1 1 calc R . .
H49C H 0.4086 -0.1587 0.5630 0.137 Uiso 1 1 calc R . .
C50 C 0.41902(15) -0.0092(3) 0.4581(3) 0.0521(17) Uani 1 1 d . . .
C51 C 0.39192(16) 0.0166(3) 0.4047(4) 0.0617(19) Uani 1 1 d . . .
C52 C 0.38731(18) -0.0041(4) 0.3378(4) 0.072(2) Uani 1 1 d . . .
H52 H 0.3696 0.0126 0.3018 0.087 Uiso 1 1 calc R . .
C53 C 0.4074(2) -0.0475(4) 0.3221(5) 0.081(2) Uani 1 1 d . . .
H53 H 0.4036 -0.0595 0.2764 0.097 Uiso 1 1 calc R . .
C54 C 0.4332(2) -0.0732(4) 0.3746(5) 0.084(2) Uani 1 1 d . . .
H54 H 0.4468 -0.1037 0.3648 0.101 Uiso 1 1 calc R . .
C55 C 0.43916(18) -0.0541(4) 0.4418(4) 0.068(2) Uani 1 1 d . . .
H55 H 0.4570 -0.0716 0.4770 0.082 Uiso 1 1 calc R . .
C56 C 0.3689(2) 0.0655(4) 0.4171(5) 0.100(3) Uani 1 1 d . . .
H56A H 0.3754 0.0744 0.4657 0.151 Uiso 1 1 calc R . .
H56B H 0.3465 0.0496 0.4009 0.151 Uiso 1 1 calc R . .
H56C H 0.3702 0.1038 0.3925 0.151 Uiso 1 1 calc R . .
C57 C 0.45481(16) 0.0871(3) 0.5558(4) 0.0569(18) Uani 1 1 d . . .
C58 C 0.46710(17) 0.1200(4) 0.6196(5) 0.071(2) Uani 1 1 d . . .
C59 C 0.4867(2) 0.1719(4) 0.6219(5) 0.087(3) Uani 1 1 d . . .
H59 H 0.4952 0.1938 0.6635 0.104 Uiso 1 1 calc R . .
C60 C 0.4946(2) 0.1937(4) 0.5653(6) 0.101(3) Uani 1 1 d . . .
H60 H 0.5078 0.2297 0.5693 0.121 Uiso 1 1 calc R . .
C61 C 0.4831(2) 0.1628(4) 0.5051(5) 0.088(3) Uani 1 1 d . . .
H61 H 0.4883 0.1770 0.4669 0.105 Uiso 1 1 calc R . .
C62 C 0.46275(18) 0.1078(4) 0.5000(4) 0.072(2) Uani 1 1 d . . .
H62 H 0.4548 0.0858 0.4583 0.087 Uiso 1 1 calc R . .
C63 C 0.4593(2) 0.0999(5) 0.6831(4) 0.101(3) Uani 1 1 d . . .
H63A H 0.4453 0.0627 0.6726 0.152 Uiso 1 1 calc R . .
H63B H 0.4478 0.1338 0.6972 0.152 Uiso 1 1 calc R . .
H63C H 0.4796 0.0904 0.7197 0.152 Uiso 1 1 calc R . .
C64 C 0.44954(17) 0.5637(3) 0.5685(4) 0.0628(19) Uani 1 1 d . . .
C65 C 0.4541(2) 0.6047(4) 0.6247(4) 0.075(2) Uani 1 1 d . . .
C66 C 0.4606(3) 0.6681(4) 0.6153(5) 0.102(3) Uani 1 1 d . . .
H66 H 0.4647 0.6955 0.6528 0.122 Uiso 1 1 calc R . .
C67 C 0.4614(3) 0.6923(4) 0.5547(6) 0.106(3) Uani 1 1 d . . .
H67 H 0.4650 0.7356 0.5505 0.127 Uiso 1 1 calc R . .
C68 C 0.4570(2) 0.6529(4) 0.5006(5) 0.093(3) Uani 1 1 d . . .
H68 H 0.4577 0.6690 0.4589 0.111 Uiso 1 1 calc R . .
C69 C 0.45125(18) 0.5884(4) 0.5063(4) 0.071(2) Uani 1 1 d . . .
H69 H 0.4486 0.5616 0.4688 0.085 Uiso 1 1 calc R . .
C70 C 0.4529(2) 0.5814(4) 0.6941(4) 0.099(3) Uani 1 1 d . . .
H70A H 0.4569 0.6165 0.7259 0.148 Uiso 1 1 calc R . .
H70B H 0.4696 0.5495 0.7122 0.148 Uiso 1 1 calc R . .
H70C H 0.4313 0.5637 0.6881 0.148 Uiso 1 1 calc R . .
C71 C 0.43033(17) 0.4503(3) 0.4859(4) 0.0603(19) Uani 1 1 d . . .
C72 C 0.3989(2) 0.4677(4) 0.4371(4) 0.078(2) Uani 1 1 d . . .
C73 C 0.3920(3) 0.4455(5) 0.3715(7) 0.110(4) Uani 1 1 d . . .
H73 H 0.3720 0.4577 0.3384 0.132 Uiso 1 1 calc R . .
C74 C 0.4130(3) 0.4055(6) 0.3510(5) 0.114(4) Uani 1 1 d . . .
H74 H 0.4068 0.3907 0.3057 0.137 Uiso 1 1 calc R . .
C75 C 0.4435(3) 0.3878(4) 0.3988(5) 0.100(3) Uani 1 1 d . . .
H75 H 0.4579 0.3609 0.3864 0.120 Uiso 1 1 calc R . .
C76 C 0.45203(18) 0.4119(4) 0.4675(4) 0.070(2) Uani 1 1 d . . .
H76 H 0.4725 0.4014 0.5002 0.084 Uiso 1 1 calc R . .
C77 C 0.3733(2) 0.5098(5) 0.4512(5) 0.107(3) Uani 1 1 d . . .
H77A H 0.3812 0.5230 0.4988 0.161 Uiso 1 1 calc R . .
H77B H 0.3528 0.4867 0.4420 0.161 Uiso 1 1 calc R . .
H77C H 0.3695 0.5466 0.4219 0.161 Uiso 1 1 calc R . .
C78 C 0.48201(17) 0.4429(3) 0.6216(4) 0.0564(18) Uani 1 1 d . . .
C79 C 0.48457(18) 0.3796(3) 0.6435(4) 0.064(2) Uani 1 1 d . . .
C80 C 0.5161(2) 0.3565(4) 0.6796(4) 0.077(2) Uani 1 1 d . . .
H80 H 0.5182 0.3143 0.6942 0.092 Uiso 1 1 calc R . .
C81 C 0.5443(2) 0.3926(5) 0.6948(4) 0.085(3) Uani 1 1 d . . .
H81 H 0.5649 0.3753 0.7197 0.102 Uiso 1 1 calc R . .
C82 C 0.54188(18) 0.4543(4) 0.6732(4) 0.074(2) Uani 1 1 d . . .
H82 H 0.5609 0.4794 0.6829 0.088 Uiso 1 1 calc R . .
C83 C 0.51029(18) 0.4798(4) 0.6361(4) 0.067(2) Uani 1 1 d . . .
H83 H 0.5085 0.5219 0.6212 0.081 Uiso 1 1 calc R . .
C84 C 0.45436(18) 0.3356(4) 0.6275(5) 0.090(3) Uani 1 1 d . . .
H84A H 0.4615 0.2943 0.6467 0.135 Uiso 1 1 calc R . .
H84B H 0.4439 0.3321 0.5783 0.135 Uiso 1 1 calc R . .
H84C H 0.4387 0.3528 0.6475 0.135 Uiso 1 1 calc R . .
C85 C 0.2591(2) 0.4378(5) 0.0102(5) 0.103(3) Uani 1 1 d . . .
H85A H 0.2522 0.4070 -0.0272 0.124 Uiso 1 1 calc R . .
H85B H 0.2665 0.4144 0.0535 0.124 Uiso 1 1 calc R . .
C86 C 0.3939(2) 0.7667(4) 0.7762(6) 0.110(3) Uani 1 1 d . . .
H86A H 0.3934 0.7415 0.8155 0.132 Uiso 1 1 calc R . .
H86B H 0.3723 0.7630 0.7404 0.132 Uiso 1 1 calc R . .
Cl1 Cl 0.22544(7) 0.48425(13) 0.00780(15) 0.1117(8) Uani 1 1 d . . .
Cl2 Cl 0.29223(7) 0.48183(14) 0.00282(17) 0.1287(10) Uani 1 1 d . . .
Cl3 Cl 0.40082(7) 0.84474(17) 0.8008(2) 0.1715(16) Uani 1 1 d . . .
Cl4 Cl 0.42371(8) 0.73702(14) 0.7458(2) 0.1479(12) Uani 1 1 d . . .
C87 C 0.3723(3) 0.2550(5) 0.5026(6) 0.148(5) Uiso 1 1 d D . .
H87A H 0.3506 0.2505 0.4670 0.177 Uiso 0.50 1 calc PR A 2
H87B H 0.3741 0.2215 0.5362 0.177 Uiso 0.50 1 calc PR A 2
H87C H 0.3638 0.2759 0.5355 0.177 Uiso 0.50 1 d PR A 1
H87D H 0.3540 0.2305 0.4719 0.177 Uiso 0.50 1 d PR A 1
Cl5 Cl 0.37982(16) 0.3141(4) 0.4587(3) 0.197(3) Uani 0.70 1 d PD B 1
Cl6 Cl 0.39874(12) 0.2057(2) 0.5494(4) 0.202(3) Uani 0.70 1 d PD B 1
Cl5' Cl 0.4013(2) 0.2406(8) 0.4653(7) 0.165(5) Uani 0.30 1 d PD B 2
Cl6' Cl 0.3724(4) 0.3214(13) 0.5408(18) 0.43(2) Uani 0.30 1 d PD B 2
C88 C 0.3830(3) 0.7929(9) 0.2320(10) 0.260(10) Uiso 1 1 d D . .
H88A H 0.3726 0.8113 0.2633 0.312 Uiso 0.50 1 calc PR C 2
H88B H 0.3818 0.8237 0.1960 0.312 Uiso 0.50 1 calc PR C 2
H88C H 0.3817 0.8375 0.2431 0.312 Uiso 0.50 1 d PR C 1
H88D H 0.3873 0.7903 0.1886 0.312 Uiso 0.50 1 d PR C 1
Cl7 Cl 0.4139(5) 0.7615(11) 0.2952(9) 0.432(18) Uani 0.50 1 d PD D 1
Cl8 Cl 0.3512(4) 0.7604(6) 0.2398(9) 0.286(8) Uani 0.50 1 d PD D 1
Cl7' Cl 0.3649(3) 0.7309(6) 0.1999(6) 0.272(7) Uani 0.50 1 d PD D 2
Cl8' Cl 0.42175(14) 0.7746(4) 0.2741(8) 0.213(7) Uani 0.50 1 d PD D 2
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 2.004(7) . ?
Au1 P1 2.2879(17) . ?
Au2 C24 2.010(8) . ?
Au2 P2 2.2911(18) . ?
P1 C57 1.814(7) . ?
P1 C50 1.826(7) . ?
P1 C43 1.827(7) . ?
P2 C71 1.819(8) . ?
P2 C64 1.829(8) . ?
P2 C78 1.847(7) . ?
O1 C6 1.371(7) . ?
O1 C33 1.431(7) . ?
O2 C34 1.386(8) . ?
O2 C35 1.418(8) . ?
O3 C36 1.406(8) . ?
O3 C37 1.411(8) . ?
O4 C39 1.402(8) . ?
O4 C38 1.433(7) . ?
O5 C18 1.388(7) . ?
O5 C40 1.432(7) . ?
O6 C11 1.378(7) . ?
O6 C41 1.400(8) . ?
O7 C27 1.372(7) . ?
O7 C42 1.423(7) . ?
C1 C2 1.186(8) . ?
C2 C3 1.445(8) . ?
C3 C4 1.380(9) . ?
C3 C8 1.393(8) . ?
C4 C5 1.378(8) . ?
C5 C6 1.405(8) . ?
C5 C9 1.525(9) . ?
C6 C7 1.402(8) . ?
C7 C8 1.380(8) . ?
C7 C32 1.499(8) . ?
C9 C10 1.531(9) . ?
C10 C15 1.393(9) . ?
C10 C11 1.394(8) . ?
C11 C12 1.394(9) . ?
C12 C13 1.394(9) . ?
C12 C16 1.534(9) . ?
C13 C14 1.371(11) . ?
C14 C15 1.376(10) . ?
C16 C17 1.525(9) . ?
C17 C22 1.379(8) . ?
C17 C18 1.397(9) . ?
C18 C19 1.369(9) . ?
C19 C20 1.389(8) . ?
C19 C25 1.522(9) . ?
C20 C21 1.381(9) . ?
C21 C22 1.381(9) . ?
C21 C23 1.443(9) . ?
C23 C24 1.184(9) . ?
C25 C26 1.515(10) . ?
C26 C31 1.400(9) . ?
C26 C27 1.406(9) . ?
C27 C28 1.398(9) . ?
C28 C29 1.391(9) . ?
C28 C32 1.524(9) . ?
C29 C30 1.355(11) . ?
C30 C31 1.375(11) . ?
C33 C34 1.488(9) . ?
C35 C36 1.475(10) . ?
C37 C38 1.493(10) . ?
C39 C40 1.500(9) . ?
C43 C48 1.368(9) . ?
C43 C44 1.409(10) . ?
C44 C45 1.369(10) . ?
C44 C49 1.499(10) . ?
C45 C46 1.351(12) . ?
C46 C47 1.388(13) . ?
C47 C48 1.360(11) . ?
C50 C55 1.387(9) . ?
C50 C51 1.407(9) . ?
C51 C52 1.388(10) . ?
C51 C56 1.496(10) . ?
C52 C53 1.358(11) . ?
C53 C54 1.366(11) . ?
C54 C55 1.374(10) . ?
C57 C62 1.366(10) . ?
C57 C58 1.416(10) . ?
C58 C59 1.363(11) . ?
C58 C63 1.506(11) . ?
C59 C60 1.387(12) . ?
C60 C61 1.335(12) . ?
C61 C62 1.426(10) . ?
C64 C65 1.398(10) . ?
C64 C69 1.399(10) . ?
C65 C66 1.388(11) . ?
C65 C70 1.521(11) . ?
C66 C67 1.353(12) . ?
C67 C68 1.345(12) . ?
C68 C69 1.388(10) . ?
C71 C76 1.369(10) . ?
C71 C72 1.424(11) . ?
C72 C73 1.359(13) . ?
C72 C77 1.503(11) . ?
C73 C74 1.391(14) . ?
C74 C75 1.389(13) . ?
C75 C76 1.425(11) . ?
C78 C83 1.377(9) . ?
C78 C79 1.397(9) . ?
C79 C80 1.387(10) . ?
C79 C84 1.526(10) . ?
C80 C81 1.361(10) . ?
C81 C82 1.364(10) . ?
C82 C83 1.410(10) . ?
C85 Cl1 1.720(9) . ?
C85 Cl2 1.733(10) . ?
C86 Cl4 1.705(10) . ?
C86 Cl3 1.711(9) . ?
C87 Cl6 1.592(10) . ?
C87 Cl6' 1.600(13) . ?
C87 Cl5 1.625(10) . ?
C87 Cl5' 1.678(12) . ?
C88 Cl7' 1.544(16) . ?
C88 Cl8 1.567(15) . ?
C88 Cl8' 1.631(15) . ?
C88 Cl7 1.643(17) . ?
