#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/21/4062187.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_4062187
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C84 H74 N2 O5 P4 Ru2 S2'
_chemical_formula_weight         1581.59
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.2560(10)
_cell_angle_beta                 107.4950(10)
_cell_angle_gamma                91.1730(10)
_cell_formula_units_Z            2
_cell_length_a                   14.82850(10)
_cell_length_b                   16.0216(2)
_cell_length_c                   16.63470(10)
_cell_measurement_temperature    295(2)
_cell_volume                     3721.65(6)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.411
_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               4062187
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Ru1 Ru 0.815993(19) 0.435006(17) 0.185612(17) 0.03575(9) Uani 1 1 d . . .
Ru2 Ru 0.675335(18) 1.070753(16) -0.185534(17) 0.03391(9) Uani 1 1 d . . .
S1 S 0.56561(7) 0.64959(6) -0.02868(6) 0.0484(2) Uani 1 1 d . . .
S2 S 0.58404(7) 0.83923(6) 0.02663(6) 0.0489(2) Uani 1 1 d . . .
P1 P 0.92532(7) 0.54325(6) 0.25761(6) 0.0453(2) Uani 1 1 d . . .
P2 P 0.79017(6) 0.43906(6) 0.31444(6) 0.0389(2) Uani 1 1 d . . .
P3 P 0.55745(6) 1.05912(6) -0.31186(6) 0.0363(2) Uani 1 1 d . . .
P4 P 0.73952(6) 0.97043(6) -0.25898(6) 0.0441(2) Uani 1 1 d . . .
O1 O 0.70368(16) 0.57463(14) 0.22152(14) 0.0415(6) Uani 1 1 d . . .
O2 O 0.6387(2) 0.67631(19) 0.28441(17) 0.0807(10) Uani 1 1 d . . .
O3 O 0.54451(16) 0.92368(14) -0.22098(14) 0.0428(6) Uani 1 1 d . . .
O4 O 0.4406(2) 0.8169(2) -0.28579(18) 0.0900(11) Uani 1 1 d . . .
N1 N 0.6020(2) 0.66430(18) 0.13987(18) 0.0440(7) Uani 1 1 d . . .
N2 N 0.5035(2) 0.82633(18) -0.14097(18) 0.0439(7) Uani 1 1 d . . .
C C 0.5093(2) 0.7433(2) -0.0015(2) 0.0448(9) Uani 1 1 d . . .
H0A H 0.4547 0.7491 -0.0497 0.054 Uiso 1 1 calc R . .
H0B H 0.4864 0.7360 0.0460 0.054 Uiso 1 1 calc R . .
C1 C 0.7258(2) 0.5276(2) 0.1527(2) 0.0345(8) Uani 1 1 d . . .
C2 C 0.6456(3) 0.6421(2) 0.2163(2) 0.0487(9) Uani 1 1 d . . .
C3 C 0.6212(2) 0.6213(2) 0.0730(2) 0.0362(8) Uani 1 1 d . . .
C4 C 0.6822(2) 0.5540(2) 0.0747(2) 0.0339(8) Uani 1 1 d . . .
C5 C 0.6975(2) 0.5185(2) -0.0079(2) 0.0390(8) Uani 1 1 d . . .
C6 C 0.7755(3) 0.5482(2) -0.0285(3) 0.0550(10) Uani 1 1 d . . .
H6A H 0.8197 0.5881 0.0103 0.066 Uiso 1 1 calc R . .
C7 C 0.7871(4) 0.5180(3) -0.1076(3) 0.0784(15) Uani 1 1 d . . .
H7A H 0.8391 0.5382 -0.1211 0.094 Uiso 1 1 calc R . .
C8 C 0.7227(5) 0.4590(3) -0.1654(3) 0.0854(17) Uani 1 1 d . . .
H8A H 0.7321 0.4381 -0.2172 0.103 Uiso 1 1 calc R . .
C9 C 0.6442(4) 0.4309(3) -0.1470(3) 0.0713(13) Uani 1 1 d . . .
H9A H 0.5997 0.3919 -0.1868 0.086 Uiso 1 1 calc R . .
C10 C 0.6312(3) 0.4606(2) -0.0689(2) 0.0506(10) Uani 1 1 d . . .
H10A H 0.5776 0.4417 -0.0570 0.061 Uiso 1 1 calc R . .
C11 C 0.6126(2) 0.9723(2) -0.1521(2) 0.0350(8) Uani 1 1 d . . .
C12 C 0.4925(3) 0.8514(2) -0.2177(2) 0.0511(10) Uani 1 1 d . . .
C13 C 0.5678(2) 0.8712(2) -0.0743(2) 0.0372(8) Uani 1 1 d . . .
C14 C 0.6244(2) 0.9435(2) -0.0745(2) 0.0340(8) Uani 1 1 d . . .
C15 C 0.6961(2) 0.9818(2) 0.0079(2) 0.0402(8) Uani 1 1 d . . .
C16 C 0.7888(3) 0.9577(2) 0.0284(3) 0.0563(11) Uani 1 1 d . . .
H16A H 0.8071 0.9187 -0.0099 0.068 Uiso 1 1 calc R . .
C17 C 0.8544(3) 0.9918(3) 0.1063(3) 0.0748(14) Uani 1 1 d . . .
H17A H 0.9163 0.9754 0.1197 0.090 Uiso 1 1 calc R . .
C18 C 0.8286(4) 1.0494(3) 0.1632(3) 0.0855(17) Uani 1 1 d . . .
H18A H 0.8733 1.0727 0.2144 0.103 Uiso 1 1 calc R . .
C19 C 0.7361(4) 1.0729(3) 0.1447(3) 0.0721(13) Uani 1 1 d . . .
H19A H 0.7183 1.1114 0.1837 0.087 Uiso 1 1 calc R . .
C20 C 0.6697(3) 1.0383(2) 0.0669(2) 0.0524(10) Uani 1 1 d . . .
H20A H 0.6073 1.0533 0.0546 0.063 Uiso 1 1 calc R . .
C21 C 0.8969(3) 0.5937(2) 0.3536(2) 0.0559(10) Uani 1 1 d . . .
H21A H 0.9528 0.6253 0.3936 0.067 Uiso 1 1 calc R . .
H21B H 0.8479 0.6327 0.3376 0.067 Uiso 1 1 calc R . .
C22 C 0.8632(3) 0.5266(2) 0.3949(2) 0.0595(11) Uani 1 1 d . . .
H22A H 0.8260 0.5519 0.4299 0.071 Uiso 1 1 calc R . .
H22B H 0.9176 0.5039 0.4320 0.071 Uiso 1 1 calc R . .
C23 C 0.9373(3) 0.6327(2) 0.2028(2) 0.0502(10) Uani 1 1 d . . .
C24 C 0.8812(3) 0.7020(3) 0.2028(3) 0.0697(12) Uani 1 1 d . . .
H24A H 0.8397 0.7061 0.2352 0.084 Uiso 1 1 calc R . .
C25 C 0.8874(4) 0.7646(3) 0.1545(3) 0.0822(15) Uani 1 1 d . . .
H25A H 0.8490 0.8098 0.1539 0.099 Uiso 1 1 calc R . .
C26 C 0.9486(4) 0.7606(3) 0.1082(3) 0.0801(14) Uani 1 1 d . . .
H26A H 0.9531 0.8038 0.0775 0.096 Uiso 1 1 calc R . .
C27 C 1.0039(3) 0.6937(3) 0.1063(3) 0.0753(14) Uani 1 1 d . . .
H27A H 1.0450 0.6909 0.0736 0.090 Uiso 1 1 calc R . .
C28 C 0.9987(3) 0.6293(3) 0.1536(3) 0.0640(12) Uani 1 1 d . . .
H28A H 1.0365 0.5839 0.1522 0.077 Uiso 1 1 calc R . .
C29 C 1.0505(3) 0.5214(3) 0.3045(3) 0.0604(11) Uani 1 1 d . . .
C30 C 1.1180(3) 0.5871(4) 0.3445(3) 0.0970(18) Uani 1 1 d . . .
H30A H 1.1007 0.6426 0.3457 0.116 Uiso 1 1 calc R . .
C31 C 1.2122(4) 0.5708(6) 0.3832(4) 0.133(3) Uani 1 1 d . . .
H31A H 1.2572 0.6151 0.4114 0.159 Uiso 1 1 calc R . .
C32 C 1.2371(4) 0.4902(6) 0.3790(4) 0.128(3) Uani 1 1 d . . .
H32A H 1.3000 0.4796 0.4036 0.153 Uiso 1 1 calc R . .
C33 C 1.1727(4) 0.4244(5) 0.3400(4) 0.119(2) Uani 1 1 d . . .
H33A H 1.1912 0.3692 0.3377 0.143 Uiso 1 1 calc R . .
C34 C 1.0785(3) 0.4405(4) 0.3034(3) 0.0846(15) Uani 1 1 d . . .
H34A H 1.0338 0.3955 0.2777 0.102 Uiso 1 1 calc R . .
C35 C 0.8269(3) 0.3449(2) 0.3647(2) 0.0453(9) Uani 1 1 d . . .
C36 C 0.9216(3) 0.3342(3) 0.4062(3) 0.0639(12) Uani 1 1 d . . .
H36A H 0.9675 0.3771 0.4122 0.077 Uiso 1 1 calc R . .
C37 C 0.9486(4) 0.2595(3) 0.4389(3) 0.0805(15) Uani 1 1 d . . .
H37A H 1.0120 0.2531 0.4670 0.097 Uiso 1 1 calc R . .
C38 C 0.8810(4) 0.1958(3) 0.4294(3) 0.0817(15) Uani 1 1 d . . .
H38A H 0.8988 0.1466 0.4519 0.098 Uiso 1 1 calc R . .
C39 C 0.7880(4) 0.2041(3) 0.3871(3) 0.0716(13) Uani 1 1 d . . .
H39A H 0.7429 0.1600 0.3794 0.086 Uiso 1 1 calc R . .
C40 C 0.7609(3) 0.2787(2) 0.3557(2) 0.0551(10) Uani 1 1 d . . .
H40A H 0.6972 0.2844 0.3281 0.066 Uiso 1 1 calc R . .
C41 C 0.6691(2) 0.4445(2) 0.3218(2) 0.0429(9) Uani 1 1 d . . .
C42 C 0.6509(3) 0.4758(3) 0.3965(3) 0.0690(12) Uani 1 1 d . . .
H42A H 0.7011 0.4973 0.4446 0.083 Uiso 1 1 calc R . .
C43 C 0.5606(4) 0.4756(4) 0.4011(3) 0.0893(16) Uani 1 1 d . . .
H43A H 0.5500 0.4973 0.4522 0.107 Uiso 1 1 calc R . .
C44 C 0.4853(3) 0.4438(4) 0.3312(3) 0.0920(18) Uani 1 1 d . . .
H44A H 0.4239 0.4430 0.3349 0.110 Uiso 1 1 calc R . .
C45 C 0.5015(3) 0.4134(4) 0.2565(3) 0.0888(17) Uani 1 1 d . . .
H45A H 0.4510 0.3917 0.2087 0.107 Uiso 1 1 calc R . .
C46 C 0.5934(3) 0.4148(3) 0.2513(3) 0.0671(12) Uani 1 1 d . . .
H46A H 0.6038 0.3953 0.1996 0.080 Uiso 1 1 calc R . .
C47 C 0.5624(3) 0.9630(2) -0.3867(2) 0.0507(10) Uani 1 1 d . . .
H47A H 0.5066 0.9258 -0.3960 0.061 Uiso 1 1 calc R . .
H47B H 0.5603 0.9793 -0.4412 0.061 Uiso 1 1 calc R . .
C48 C 0.6485(3) 0.9153(3) -0.3566(3) 0.0692(13) Uani 1 1 d . . .
H48A H 0.6771 0.9043 -0.4021 0.083 Uiso 1 1 calc R . .
H48B H 0.6291 0.8611 -0.3453 0.083 Uiso 1 1 calc R . .
C49 C 0.4318(2) 1.0570(2) -0.3167(2) 0.0405(8) Uani 1 1 d . . .
C50 C 0.4058(3) 1.0832(3) -0.2451(2) 0.0578(11) Uani 1 1 d . . .
H50A H 0.4523 1.0988 -0.1928 0.069 Uiso 1 1 calc R . .
C51 C 0.3114(3) 1.0865(3) -0.2499(3) 0.0769(14) Uani 1 1 d . . .
H51A H 0.2949 1.1054 -0.2010 0.092 Uiso 1 1 calc R . .
C52 C 0.2420(3) 1.0623(3) -0.3257(3) 0.0824(15) Uani 1 1 d . . .
H52A H 0.1786 1.0647 -0.3285 0.099 Uiso 1 1 calc R . .
C53 C 0.2663(3) 1.0346(3) -0.3975(3) 0.0765(14) Uani 1 1 d . . .
H53A H 0.2195 1.0171 -0.4492 0.092 Uiso 1 1 calc R . .
C54 C 0.3610(3) 1.0327(3) -0.3929(3) 0.0644(12) Uani 1 1 d . . .
H54A H 0.3772 1.0147 -0.4422 0.077 Uiso 1 1 calc R . .
C55 C 0.5618(2) 1.1465(2) -0.3715(2) 0.0450(9) Uani 1 1 d . . .
C56 C 0.5086(3) 1.2162(3) -0.3644(3) 0.0739(14) Uani 1 1 d . . .
H56A H 0.4702 1.2187 -0.3292 0.089 Uiso 1 1 calc R . .
C57 C 0.5121(4) 1.2817(3) -0.4093(4) 0.116(2) Uani 1 1 d . . .
H57A H 0.4768 1.3282 -0.4032 0.139 Uiso 1 1 calc R . .
C58 C 0.5665(5) 1.2791(4) -0.4623(4) 0.115(2) Uani 1 1 d . . .
H58A H 0.5666 1.3227 -0.4937 0.138 Uiso 1 1 calc R . .
C59 C 0.6211(4) 1.2125(4) -0.4693(3) 0.0950(17) Uani 1 1 d . . .
H59A H 0.6594 1.2113 -0.5046 0.114 Uiso 1 1 calc R . .
C60 C 0.6198(3) 1.1458(3) -0.4234(3) 0.0632(12) Uani 1 1 d . . .
H60A H 0.6579 1.1009 -0.4277 0.076 Uiso 1 1 calc R . .
C61 C 0.8318(3) 1.0028(3) -0.3045(3) 0.0578(11) Uani 1 1 d . . .
C62 C 0.8493(3) 1.0857(3) -0.3097(3) 0.0787(14) Uani 1 1 d . . .
H62A H 0.8172 1.1270 -0.2864 0.094 Uiso 1 1 calc R . .
C63 C 0.9142(4) 1.1097(4) -0.3492(3) 0.0999(18) Uani 1 1 d . . .
H63A H 0.9258 1.1664 -0.3516 0.120 Uiso 1 1 calc R . .
C64 C 0.9608(4) 1.0485(5) -0.3847(3) 0.107(2) Uani 1 1 d . . .
H64A H 1.0034 1.0637 -0.4121 0.129 Uiso 1 1 calc R . .
C65 C 0.9449(4) 0.9669(5) -0.3797(4) 0.116(2) Uani 1 1 d . . .
H65A H 0.9774 0.9259 -0.4030 0.139 Uiso 1 1 calc R . .
C66 C 0.8808(4) 0.9429(4) -0.3403(3) 0.0933(17) Uani 1 1 d . . .
H66A H 0.8703 0.8861 -0.3378 0.112 Uiso 1 1 calc R . .
C67 C 0.7941(3) 0.8828(2) -0.2051(3) 0.0541(10) Uani 1 1 d . . .
C68 C 0.8877(3) 0.8893(3) -0.1585(3) 0.0727(13) Uani 1 1 d . . .
H68A H 0.9251 0.9374 -0.1564 0.087 Uiso 1 1 calc R . .
C69 C 0.9289(4) 0.8242(4) -0.1136(3) 0.0878(16) Uani 1 1 d . . .
H69A H 0.9931 0.8288 -0.0829 0.105 Uiso 1 1 calc R . .
C70 C 0.8736(5) 0.7551(4) -0.1158(4) 0.0944(17) Uani 1 1 d . . .
H70A H 0.9005 0.7118 -0.0867 0.113 Uiso 1 1 calc R . .
C71 C 0.7788(4) 0.7475(3) -0.1600(4) 0.0958(17) Uani 1 1 d . . .
H71A H 0.7414 0.7003 -0.1597 0.115 Uiso 1 1 calc R . .
C72 C 0.7395(3) 0.8105(3) -0.2047(3) 0.0786(14) Uani 1 1 d . . .
H72A H 0.6753 0.8051 -0.2354 0.094 Uiso 1 1 calc R . .
C73 C 0.8231(3) 0.3697(2) 0.0566(2) 0.0554(11) Uani 1 1 d . . .
H73A H 0.8253 0.3975 0.0083 0.066 Uiso 1 1 calc R . .
C74 C 0.9017(3) 0.3486(3) 0.1209(3) 0.0638(12) Uani 1 1 d . . .
H74A H 0.9683 0.3596 0.1251 0.077 Uiso 1 1 calc R . .
C75 C 0.8686(4) 0.3034(2) 0.1743(3) 0.0652(13) Uani 1 1 d . . .
H75A H 0.9077 0.2766 0.2211 0.078 Uiso 1 1 calc R . .
C76 C 0.7683(3) 0.2978(2) 0.1431(3) 0.0593(11) Uani 1 1 d . . .
H76A H 0.7257 0.2659 0.1645 0.071 Uiso 1 1 calc R . .
C77 C 0.7407(3) 0.3384(2) 0.0713(2) 0.0542(10) Uani 1 1 d . . .
H77A H 0.6756 0.3402 0.0344 0.065 Uiso 1 1 calc R . .
C78 C 0.6523(3) 1.2062(2) -0.1437(3) 0.0531(10) Uani 1 1 d . . .
H78A H 0.5937 1.2344 -0.1651 0.064 Uiso 1 1 calc R . .
C79 C 0.7301(3) 1.2059(2) -0.1762(3) 0.0588(11) Uani 1 1 d . . .
H79A H 0.7353 1.2336 -0.2236 0.071 Uiso 1 1 calc R . .
C80 C 0.8022(3) 1.1643(2) -0.1229(3) 0.0611(11) Uani 1 1 d . . .
H80A H 0.8658 1.1575 -0.1280 0.073 Uiso 1 1 calc R . .
C81 C 0.7700(3) 1.1397(2) -0.0576(2) 0.0532(10) Uani 1 1 d . . .
H81A H 0.8071 1.1135 -0.0095 0.064 Uiso 1 1 calc R . .
C82 C 0.6758(3) 1.1652(2) -0.0715(2) 0.0501(10) Uani 1 1 d . . .
H82A H 0.6367 1.1603 -0.0340 0.060 Uiso 1 1 calc R . .
C83 C 0.2424(8) 1.2399(5) -0.4829(8) 0.346(12) Uani 1 1 d . . .
H83A H 0.2007 1.2342 -0.5403 0.415 Uiso 1 1 calc R . .
H83B H 0.2146 1.2089 -0.4500 0.415 Uiso 1 1 calc R . .
H83C H 0.3021 1.2180 -0.4832 0.415 Uiso 1 1 calc R . .
O5 O 0.2538(6) 1.3080(5) -0.4539(4) 0.265(5) Uani 1 1 d . . .
H5A H 0.2065 1.3326 -0.4748 0.397 Uiso 1 1 calc R . .
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
Ru1 C1 2.041(3) . ?
Ru1 C76 2.242(4) . ?
Ru1 C77 2.250(4) . ?
Ru1 C75 2.266(4) . ?
Ru1 C74 2.271(4) . ?
Ru1 P1 2.2784(10) . ?
Ru1 P2 2.2798(9) . ?
Ru1 C73 2.282(3) . ?
Ru2 C11 2.041(3) . ?
Ru2 C78 2.247(3) . ?
Ru2 C82 2.249(3) . ?
Ru2 C79 2.264(4) . ?
Ru2 C80 2.264(4) . ?
Ru2 P3 2.2741(9) . ?
Ru2 P4 2.2760(10) . ?
Ru2 C81 2.277(3) . ?
S1 C3 1.773(3) . ?
S1 C 1.799(3) . ?
S2 C13 1.774(3) . ?
S2 C 1.795(3) . ?
P1 C23 1.838(4) . ?
P1 C29 1.847(4) . ?
P1 C21 1.851(4) . ?
P2 C41 1.838(4) . ?
P2 C35 1.842(4) . ?
P2 C22 1.860(4) . ?
P3 C55 1.839(4) . ?
P3 C49 1.840(3) . ?
P3 C47 1.853(3) . ?
P4 C67 1.844(4) . ?
P4 C61 1.849(4) . ?
P4 C48 1.860(4) . ?
O1 C2 1.391(4) . ?
O1 C1 1.404(4) . ?
O2 C2 1.221(4) . ?
O3 C12 1.395(4) . ?
O3 C11 1.399(4) . ?
O4 C12 1.208(4) . ?
N1 C3 1.330(4) . ?
N1 C2 1.343(4) . ?
N2 C13 1.328(4) . ?
N2 C12 1.357(4) . ?
C1 C4 1.396(4) . ?
C3 C4 1.420(4) . ?
C4 C5 1.493(4) . ?
C5 C6 1.394(5) . ?
C5 C10 1.396(5) . ?
C6 C7 1.397(6) . ?
C7 C8 1.372(7) . ?
C8 C9 1.373(7) . ?
C9 C10 1.388(5) . ?
C11 C14 1.395(4) . ?
C13 C14 1.417(4) . ?
C14 C15 1.497(4) . ?
C15 C20 1.389(5) . ?
C15 C16 1.391(5) . ?
C16 C17 1.393(5) . ?
C17 C18 1.369(7) . ?
C18 C19 1.386(7) . ?
C19 C20 1.399(5) . ?
C21 C22 1.508(5) . ?
C23 C28 1.393(5) . ?
C23 C24 1.400(5) . ?
C24 C25 1.391(6) . ?
C25 C26 1.351(6) . ?
C26 C27 1.366(6) . ?
C27 C28 1.398(6) . ?
C29 C34 1.368(6) . ?
C29 C30 1.381(6) . ?
C30 C31 1.399(8) . ?
C31 C32 1.348(10) . ?
C32 C33 1.355(9) . ?
C33 C34 1.392(7) . ?
C35 C40 1.389(5) . ?
C35 C36 1.393(5) . ?
C36 C37 1.401(6) . ?
C37 C38 1.374(6) . ?
C38 C39 1.366(6) . ?
C39 C40 1.392(5) . ?
C41 C46 1.374(5) . ?
C41 C42 1.378(5) . ?
C42 C43 1.364(6) . ?
C43 C44 1.374(7) . ?
C44 C45 1.361(6) . ?
C45 C46 1.391(5) . ?
C47 C48 1.495(5) . ?
C49 C50 1.371(5) . ?
C49 C54 1.380(5) . ?
C50 C51 1.381(5) . ?
C51 C52 1.365(6) . ?
C52 C53 1.366(6) . ?
C53 C54 1.384(6) . ?
C55 C60 1.389(5) . ?
C55 C56 1.392(5) . ?
C56 C57 1.381(6) . ?
C57 C58 1.359(8) . ?
C58 C59 1.366(8) . ?
C59 C60 1.403(6) . ?
C61 C62 1.368(6) . ?
C61 C66 1.389(6) . ?
C62 C63 1.393(6) . ?
C63 C64 1.377(8) . ?
C64 C65 1.343(8) . ?
C65 C66 1.383(7) . ?
C67 C68 1.366(6) . ?
C67 C72 1.400(6) . ?
C68 C69 1.412(6) . ?
C69 C70 1.355(7) . ?
C70 C71 1.371(7) . ?
C71 C72 1.376(6) . ?
C73 C74 1.410(5) . ?
C73 C77 1.412(5) . ?
C74 C75 1.410(6) . ?
C75 C76 1.417(6) . ?
C76 C77 1.399(5) . ?
C78 C82 1.407(5) . ?
C78 C79 1.414(5) . ?
C79 C80 1.414(6) . ?
C80 C81 1.410(5) . ?
C81 C82 1.424(5) . ?
C83 O5 1.115(9) . ?
