#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/28/4062804.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_4062804
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049667a
_journal_year                    2004
_chemical_formula_sum            'C97 H34.5 O1.75 P2 Pt Ru'
_chemical_formula_weight         1585.85
_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                 99.279(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.974(9)
_cell_length_b                   24.285(16)
_cell_length_c                   19.922(14)
_cell_measurement_temperature    293(2)
_cell_volume                     6672(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.579
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C97 H34.50 O1.75 P2 Pt Ru'
_cod_database_code               4062804
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
Pt1 Pt 0.36113(3) 0.633141(18) 0.11392(2) 0.02989(17) Uani 1 1 d . . .
Ru1 Ru 0.14422(8) 0.51091(4) 0.12205(5) 0.0363(3) Uani 1 1 d . . .
P1 P 0.2870(2) 0.61394(12) 0.20554(16) 0.0273(7) Uani 1 1 d . . .
P2 P 0.2798(2) 0.58408(12) 0.02449(16) 0.0269(7) Uani 1 1 d . . .
C1 C 0.4700(8) 0.6902(4) 0.1493(6) 0.026(3) Uani 1 1 d U . .
C2 C 0.4780(7) 0.6736(4) 0.0779(5) 0.021(2) Uani 1 1 d U . .
C3 C 0.4655(9) 0.7161(5) 0.0252(6) 0.040(3) Uani 1 1 d . . .
C4 C 0.4373(9) 0.7691(6) 0.0378(7) 0.044(3) Uani 1 1 d . . .
C5 C 0.4291(10) 0.7862(6) 0.1065(8) 0.049(4) Uani 1 1 d . . .
C6 C 0.4484(9) 0.7509(5) 0.1597(7) 0.041(3) Uani 1 1 d . . .
C7 C 0.5065(10) 0.7682(6) 0.2227(7) 0.046(4) Uani 1 1 d . . .
C8 C 0.5699(11) 0.7252(6) 0.2494(6) 0.048(4) Uani 1 1 d . . .
C9 C 0.5522(9) 0.6794(5) 0.2031(6) 0.033(3) Uani 1 1 d . . .
C10 C 0.6285(9) 0.6470(5) 0.1916(7) 0.040(3) Uani 1 1 d . . .
C11 C 0.6370(9) 0.6301(5) 0.1222(7) 0.041(3) Uani 1 1 d . . .
C12 C 0.5656(9) 0.6449(4) 0.0695(6) 0.033(3) Uani 1 1 d . . .
C13 C 0.5972(10) 0.6635(5) 0.0059(7) 0.042(3) Uani 1 1 d . . .
C14 C 0.5332(9) 0.7075(6) -0.0199(6) 0.040(3) Uani 1 1 d . . .
C15 C 0.5672(11) 0.7524(6) -0.0546(6) 0.051(4) Uani 1 1 d . . .
C16 C 0.5364(11) 0.8078(7) -0.0413(8) 0.057(4) Uani 1 1 d . . .
C17 C 0.4756(10) 0.8154(5) 0.0027(8) 0.046(4) Uani 1 1 d . . .
C18 C 0.4897(11) 0.8605(5) 0.0508(10) 0.061(5) Uani 1 1 d . . .
C19 C 0.4625(11) 0.8438(6) 0.1143(10) 0.056(4) Uani 1 1 d . . .
C20 C 0.5126(12) 0.8613(5) 0.1748(10) 0.062(5) Uani 1 1 d . . .
C21 C 0.5387(10) 0.8243(6) 0.2306(8) 0.055(4) Uani 1 1 d . . .
C22 C 0.6325(12) 0.8347(7) 0.2672(8) 0.060(4) Uani 1 1 d . . .
C23 C 0.6946(12) 0.7936(7) 0.2918(7) 0.056(4) Uani 1 1 d . . .
C24 C 0.6633(12) 0.7351(7) 0.2835(7) 0.058(4) Uani 1 1 d . . .
C25 C 0.7416(12) 0.7026(7) 0.2717(7) 0.057(4) Uani 1 1 d . . .
C26 C 0.7260(11) 0.6598(6) 0.2255(8) 0.050(4) Uani 1 1 d . . .
C27 C 0.7929(12) 0.6502(6) 0.1798(9) 0.060(5) Uani 1 1 d . . .
C28 C 0.7367(11) 0.6321(5) 0.1135(10) 0.056(4) Uani 1 1 d . . .
C29 C 0.7663(11) 0.6483(6) 0.0544(10) 0.058(4) Uani 1 1 d . . .
C30 C 0.6928(11) 0.6646(6) -0.0007(8) 0.050(4) Uani 1 1 d . . .
C31 C 0.7305(12) 0.7099(7) -0.0348(9) 0.059(4) Uani 1 1 d U . .
C32 C 0.6714(12) 0.7513(7) -0.0604(7) 0.062(5) Uani 1 1 d . . .
C33 C 0.7047(12) 0.8092(7) -0.0545(7) 0.057(4) Uani 1 1 d . . .
C34 C 0.6179(14) 0.8416(7) -0.0419(8) 0.067(5) Uani 1 1 d . . .
C35 C 0.6335(13) 0.8875(6) 0.0058(9) 0.061(4) Uani 1 1 d . . .
C36 C 0.5697(13) 0.8961(6) 0.0513(10) 0.064(5) Uani 1 1 d . . .
C37 C 0.6240(12) 0.9134(5) 0.1141(11) 0.066(5) Uani 1 1 d . . .
C38 C 0.5979(13) 0.8968(6) 0.1766(11) 0.066(5) Uani 1 1 d . . .
C39 C 0.6703(14) 0.8817(6) 0.2320(9) 0.064(5) Uani 1 1 d . . .
C40 C 0.7663(12) 0.8827(6) 0.2233(8) 0.057(4) Uani 1 1 d . . .
C41 C 0.8312(12) 0.8387(7) 0.2511(8) 0.058(4) Uani 1 1 d . . .
C42 C 0.7952(12) 0.7941(8) 0.2853(7) 0.067(5) Uani 1 1 d . . .
C43 C 0.8245(12) 0.7386(8) 0.2704(9) 0.067(5) Uani 1 1 d . . .
C44 C 0.8893(10) 0.7299(7) 0.2275(9) 0.061(5) Uani 1 1 d . . .
C45 C 0.8743(11) 0.6839(7) 0.1800(10) 0.065(5) Uani 1 1 d . . .
C46 C 0.9019(11) 0.7007(7) 0.1166(11) 0.067(5) Uani 1 1 d . . .
C47 C 0.8492(10) 0.6840(6) 0.0556(11) 0.064(5) Uani 1 1 d . . .
C48 C 0.8260(12) 0.7227(7) -0.0008(10) 0.068(5) Uani 1 1 d . . .
C49 C 0.8549(11) 0.7770(7) 0.0055(8) 0.059(4) Uani 1 1 d . . .
C50 C 0.7941(14) 0.8210(7) -0.0210(8) 0.065(5) Uani 1 1 d . . .
C51 C 0.8118(11) 0.8660(6) 0.0286(8) 0.049(4) Uani 1 1 d . . .
C52 C 0.7328(13) 0.8985(6) 0.0391(8) 0.059(4) Uani 1 1 d . . .
C53 C 0.7239(12) 0.9153(5) 0.1079(9) 0.059(4) Uani 1 1 d . . .
C54 C 0.7955(12) 0.9002(6) 0.1605(8) 0.056(4) Uani 1 1 d . . .
C55 C 0.8753(8) 0.8672(5) 0.1484(6) 0.031(3) Uani 1 1 d U . .
C56 C 0.8993(11) 0.8283(7) 0.2045(8) 0.055(4) Uani 1 1 d . . .
C57 C 0.9262(10) 0.7752(8) 0.1934(9) 0.065(5) Uani 1 1 d . . .
C58 C 0.9338(9) 0.7574(7) 0.1247(10) 0.058(4) Uani 1 1 d . . .
C59 C 0.9135(9) 0.7945(7) 0.0707(9) 0.056(4) Uani 1 1 d . . .
C60 C 0.8830(9) 0.8505(7) 0.0835(8) 0.052(4) Uani 1 1 d . . .
C61 C 0.1729(8) 0.5764(5) 0.1960(6) 0.032(3) Uani 1 1 d . . .
C62 C 0.1545(10) 0.5255(5) 0.2314(7) 0.041(3) Uani 1 1 d . . .
H62A H 0.2002 0.5074 0.2672 0.050 Uiso 1 1 calc R . .
C63 C 0.0620(10) 0.5080(6) 0.2076(8) 0.055(4) Uani 1 1 d . . .
H63A H 0.0302 0.4755 0.2232 0.066 Uiso 1 1 calc R . .
C64 C 0.0174(9) 0.5484(6) 0.1545(8) 0.053(4) Uani 1 1 d . . .
H64A H -0.0492 0.5478 0.1298 0.064 Uiso 1 1 calc R . .
C65 C 0.0879(8) 0.5887(5) 0.1494(7) 0.035(3) Uani 1 1 d . . .
H65A H 0.0785 0.6214 0.1201 0.042 Uiso 1 1 calc R . .
C66 C 0.2255(8) 0.5179(4) 0.0406(6) 0.026(3) Uani 1 1 d . . .
C67 C 0.2753(8) 0.4805(5) 0.0915(6) 0.035(3) Uani 1 1 d . . .
H67A H 0.3414 0.4842 0.1163 0.042 Uiso 1 1 calc R . .
C68 C 0.2094(12) 0.4342(5) 0.0938(8) 0.053(4) Uani 1 1 d . . .
H68A H 0.2222 0.4013 0.1224 0.064 Uiso 1 1 calc R . .
C69 C 0.1240(11) 0.4445(5) 0.0461(7) 0.046(4) Uani 1 1 d . . .
H69A H 0.0675 0.4203 0.0360 0.055 Uiso 1 1 calc R . .
C70 C 0.1368(8) 0.4962(4) 0.0143(6) 0.029(3) Uani 1 1 d . . .
H70A H 0.0899 0.5131 -0.0216 0.035 Uiso 1 1 calc R . .
C71 C 0.2623(9) 0.6748(5) 0.2531(6) 0.034(3) Uani 1 1 d . . .
C72 C 0.3336(9) 0.6999(5) 0.2965(7) 0.040(3) Uani 1 1 d . . .
H72A H 0.3950 0.6842 0.3027 0.048 Uiso 1 1 calc R . .
C73 C 0.3208(10) 0.7471(5) 0.3319(7) 0.047(4) Uani 1 1 d . . .
H73A H 0.3729 0.7632 0.3600 0.056 Uiso 1 1 calc R . .
C74 C 0.2338(12) 0.7690(7) 0.3255(12) 0.106(9) Uani 1 1 d . . .
H74A H 0.2241 0.8006 0.3501 0.127 Uiso 1 1 calc R . .
C75 C 0.1576(15) 0.7462(10) 0.2835(17) 0.181(17) Uani 1 1 d . . .
H75A H 0.0961 0.7620 0.2775 0.217 Uiso 1 1 calc R . .
C76 C 0.1767(13) 0.6975(8) 0.2497(12) 0.116(10) Uani 1 1 d . . .
H76A H 0.1247 0.6802 0.2230 0.139 Uiso 1 1 calc R . .
C77 C 0.3673(8) 0.5758(4) 0.2701(6) 0.026(3) Uani 1 1 d . . .
C78 C 0.4534(9) 0.5550(5) 0.2535(8) 0.045(4) Uani 1 1 d . . .
H78A H 0.4655 0.5569 0.2090 0.054 Uiso 1 1 calc R . .
C79 C 0.5213(11) 0.5314(6) 0.3044(10) 0.060(4) Uani 1 1 d . . .
H79A H 0.5792 0.5175 0.2940 0.072 Uiso 1 1 calc R . .
C80 C 0.5024(13) 0.5286(6) 0.3707(9) 0.066(5) Uani 1 1 d . . .
H80A H 0.5475 0.5124 0.4043 0.079 Uiso 1 1 calc R . .
C81 C 0.4198(13) 0.5489(6) 0.3867(8) 0.061(5) Uani 1 1 d . . .
H81A H 0.4081 0.5472 0.4313 0.073 Uiso 1 1 calc R . .
C82 C 0.3523(11) 0.5723(5) 0.3370(7) 0.047(4) Uani 1 1 d . . .
H82A H 0.2951 0.5861 0.3486 0.056 Uiso 1 1 calc R . .
C83 C 0.3489(8) 0.5691(4) -0.0424(6) 0.027(3) Uani 1 1 d . . .
C84 C 0.3717(9) 0.6128(5) -0.0824(6) 0.035(3) Uani 1 1 d . . .
H84A H 0.3470 0.6477 -0.0763 0.042 Uiso 1 1 calc R . .
C85 C 0.4308(10) 0.6050(5) -0.1312(7) 0.044(3) Uani 1 1 d . . .
H85A H 0.4472 0.6346 -0.1567 0.053 Uiso 1 1 calc R . .
C86 C 0.4652(10) 0.5526(6) -0.1419(7) 0.051(4) Uani 1 1 d . . .
H86A H 0.5026 0.5469 -0.1758 0.062 Uiso 1 1 calc R . .
C87 C 0.4439(12) 0.5086(7) -0.1022(9) 0.070(5) Uani 1 1 d . . .
H87A H 0.4689 0.4737 -0.1077 0.084 Uiso 1 1 calc R . .
C88 C 0.3859(10) 0.5180(5) -0.0552(8) 0.048(4) Uani 1 1 d . . .
H88A H 0.3699 0.4882 -0.0299 0.057 Uiso 1 1 calc R . .
C89 C 0.1782(8) 0.6234(4) -0.0218(6) 0.030(3) Uani 1 1 d . . .
C90 C 0.1504(10) 0.6710(5) 0.0076(7) 0.046(4) Uani 1 1 d . . .
H90A H 0.1824 0.6825 0.0498 0.055 Uiso 1 1 calc R . .
C91 C 0.0748(10) 0.7011(7) -0.0264(9) 0.062(4) Uani 1 1 d . . .
H91A H 0.0559 0.7335 -0.0073 0.074 Uiso 1 1 calc R . .
C92 C 0.0271(12) 0.6841(7) -0.0878(10) 0.066(5) Uani 1 1 d . . .
H92A H -0.0245 0.7046 -0.1103 0.079 Uiso 1 1 calc R . .
C93 C 0.0553(11) 0.6362(7) -0.1170(8) 0.063(5) Uani 1 1 d . . .
H93A H 0.0240 0.6248 -0.1595 0.076 Uiso 1 1 calc R . .
C94 C 0.1288(9) 0.6062(6) -0.0828(7) 0.044(3) Uani 1 1 d . . .
H94A H 0.1460 0.5732 -0.1012 0.052 Uiso 1 1 calc R . .
C101 C 0.174(3) 0.9570(12) 0.954(2) 0.148(9) Uani 0.50 1 d PGU . .
C102 C 0.098(3) 0.9409(16) 0.904(2) 0.150(9) Uani 0.50 1 d PGU . .
C103 C 0.081(3) 0.8853(19) 0.8901(19) 0.149(9) Uani 0.50 1 d PGU . .
C104 C 0.140(3) 0.8458(12) 0.927(2) 0.147(9) Uani 0.50 1 d PGU . .
C105 C 0.216(3) 0.8619(16) 0.977(2) 0.145(9) Uani 0.50 1 d PGU . .
C106 C 0.233(3) 0.9175(19) 0.9906(19) 0.146(9) Uani 0.50 1 d PGU . .
O1 O 0.805(3) 0.5123(18) 0.268(2) 0.166(12) Uani 0.50 1 d PU . .
O1' O 0.793(3) 0.4558(19) 0.248(2) 0.178(13) Uani 0.50 1 d PU . .
O2 O 0.110(4) 0.949(2) 0.160(3) 0.110(19) Uani 0.25 1 d PU . .
O3 O 0.257(5) 0.967(3) 1.039(4) 0.145(10) Uani 0.25 1 d PU . .
O3' O -0.017(5) 0.875(3) 0.847(4) 0.142(13) Uani 0.25 1 d PU . .
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
Pt1 C1 2.095(10) . ?
Pt1 C2 2.127(11) . ?
Pt1 P2 2.287(3) . ?
Pt1 P1 2.287(3) . ?
Ru1 C66 2.131(12) . ?
Ru1 C67 2.151(11) . ?
Ru1 C65 2.151(12) . ?
Ru1 C61 2.160(11) . ?
Ru1 C70 2.162(12) . ?
Ru1 C64 2.181(13) . ?
Ru1 C62 2.189(13) . ?
Ru1 C68 2.188(12) . ?
Ru1 C69 2.198(12) . ?
Ru1 C63 2.205(14) . ?
P1 C71 1.820(12) . ?
P1 C61 1.820(11) . ?
P1 C77 1.819(11) . ?
P2 C83 1.803(12) . ?
P2 C66 1.829(11) . ?
P2 C89 1.832(11) . ?
C1 C9 1.464(16) . ?
C1 C2 1.500(16) . ?
C1 C6 1.524(16) . ?
C2 C12 1.442(16) . ?
C2 C3 1.463(16) . ?
C3 C4 1.382(18) . ?
C3 C14 1.421(19) . ?
C4 C5 1.45(2) . ?
C4 C17 1.469(19) . ?
C5 C6 1.356(19) . ?
C5 C19 1.475(19) . ?
C6 C7 1.444(18) . ?
C7 C8 1.416(19) . ?
C7 C21 1.436(19) . ?
C8 C24 1.392(19) . ?
C8 C9 1.441(17) . ?
C9 C10 1.374(18) . ?
C10 C26 1.452(18) . ?
C10 C11 1.465(19) . ?
C11 C12 1.376(17) . ?
C11 C28 1.43(2) . ?
C12 C13 1.477(18) . ?
C13 C30 1.364(19) . ?
C13 C14 1.434(18) . ?
C14 C15 1.414(18) . ?
C15 C16 1.45(2) . ?
C15 C32 1.48(2) . ?
C16 C17 1.33(2) . ?
C16 C34 1.41(2) . ?
C17 C18 1.45(2) . ?
C18 C36 1.41(2) . ?
C18 C19 1.44(2) . ?
C19 C20 1.36(2) . ?
C20 C21 1.43(2) . ?
C20 C38 1.47(2) . ?
C21 C22 1.42(2) . ?
C22 C23 1.36(2) . ?
C22 C39 1.48(2) . ?
C23 C42 1.43(2) . ?
C23 C24 1.49(2) . ?
C24 C25 1.40(2) . ?
C25 C26 1.38(2) . ?
C25 C43 1.46(2) . ?
C26 C27 1.43(2) . ?
C27 C45 1.40(2) . ?
C27 C28 1.49(2) . ?
C28 C29 1.37(2) . ?
C29 C30 1.43(2) . ?
C29 C47 1.44(2) . ?
C30 C31 1.44(2) . ?
C31 C32 1.35(2) . ?
C31 C48 1.43(2) . ?
C32 C33 1.48(2) . ?
C33 C50 1.35(2) . ?
C33 C34 1.50(2) . ?
C34 C35 1.46(2) . ?
C35 C36 1.39(2) . ?
C35 C52 1.46(2) . ?
C36 C37 1.42(2) . ?
C37 C38 1.41(2) . ?
C37 C53 1.42(2) . ?
C38 C39 1.42(2) . ?
C39 C40 1.38(2) . ?
C40 C54 1.44(2) . ?
C40 C41 1.45(2) . ?
C41 C42 1.41(2) . ?
C41 C56 1.45(2) . ?
C42 C43 1.45(2) . ?
C43 C44 1.36(2) . ?
C44 C57 1.43(2) . ?
C44 C45 1.46(2) . ?
C45 C46 1.44(2) . ?
C46 C47 1.38(2) . ?
C46 C58 1.45(2) . ?
C47 C48 1.46(2) . ?
C48 C49 1.38(2) . ?
C49 C50 1.41(2) . ?
C49 C59 1.48(2) . ?
C50 C51 1.47(2) . ?
C51 C52 1.40(2) . ?
C51 C60 1.41(2) . ?
C52 C53 1.45(2) . ?
C53 C54 1.38(2) . ?
C54 C55 1.424(19) . ?
C55 C60 1.375(19) . ?
C55 C56 1.460(19) . ?
C56 C57 1.37(2) . ?
C57 C58 1.46(2) . ?
C58 C59 1.40(2) . ?
C59 C60 1.46(2) . ?
C61 C65 1.417(16) . ?
C61 C62 1.467(17) . ?
C62 C63 1.369(18) . ?
C62 H62A 0.9800 . ?
C63 C64 1.50(2) . ?
C63 H63A 0.9800 . ?
C64 C65 1.404(18) . ?
C64 H64A 0.9800 . ?
C65 H65A 0.9800 . ?
C66 C70 1.370(14) . ?
C66 C67 1.452(16) . ?
C67 C68 1.459(18) . ?
C67 H67A 0.9800 . ?
C68 C69 1.423(19) . ?
C68 H68A 0.9800 . ?
C69 C70 1.428(16) . ?
C69 H69A 0.9800 . ?
C70 H70A 0.9800 . ?
C71 C76 1.31(2) . ?
C71 C72 1.354(16) . ?
C72 C73 1.372(16) . ?
C72 H72A 0.9300 . ?
C73 C74 1.316(19) . ?
C73 H73A 0.9300 . ?
C74 C75 1.36(2) . ?
C74 H74A 0.9300 . ?
C75 C76 1.41(2) . ?
C75 H75A 0.9300 . ?
C76 H76A 0.9300 . ?
C77 C82 1.384(18) . ?
C77 C78 1.393(17) . ?
C78 C79 1.396(19) . ?
C78 H78A 0.9300 . ?
C79 C80 1.39(2) . ?
C79 H79A 0.9300 . ?
C80 C81 1.34(2) . ?
C80 H80A 0.9300 . ?
C81 C82 1.375(19) . ?
C81 H81A 0.9300 . ?
C82 H82A 0.9300 . ?
C83 C88 1.384(16) . ?
C83 C84 1.396(16) . ?
C84 C85 1.386(18) . ?
C84 H84A 0.9300 . ?
C85 C86 1.389(18) . ?
C85 H85A 0.9300 . ?
C86 C87 1.39(2) . ?
C86 H86A 0.9300 . ?
C87 C88 1.35(2) . ?
C87 H87A 0.9300 . ?
C88 H88A 0.9300 . ?
C89 C94 1.363(16) . ?
C89 C90 1.380(17) . ?
C90 C91 1.371(18) . ?
C90 H90A 0.9300 . ?
C91 C92 1.36(2) . ?
C91 H91A 0.9300 . ?
C92 C93 1.39(2) . ?
C92 H92A 0.9300 . ?
C93 C94 1.350(18) . ?
C93 H93A 0.9300 . ?
C94 H94A 0.9300 . ?
C101 C102 1.3900 . ?
C101 C106 1.3900 . ?
C101 O3 1.91(9) . ?
C102 C103 1.3900 . ?
C103 C104 1.3900 . ?
C103 O3' 1.51(7) . ?
C104 C105 1.3900 . ?
C105 C106 1.3900 . ?
C106 O3 1.55(8) . ?
O1 O1' 1.43(5) . ?
