#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/03/4060398.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_4060398
loop_
_publ_author_name
'Hodson, Bruce E.'
'McGrath, Thomas D.'
'Stone, F. Gordon A.'
_publ_section_title
;
  Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)-
  closo-4,1,6-RhC₂B₁₀H₁₂]⁻ and its Reactions with Electrophiles
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049102e
_journal_year                    2005
_chemical_formula_sum            'C56 H74 B10 Cl O2.5 P2 Rh Ru'
_chemical_formula_weight         1196.62
_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                98.632(11)
_cell_angle_beta                 102.624(11)
_cell_angle_gamma                109.847(10)
_cell_formula_units_Z            2
_cell_length_a                   10.485(2)
_cell_length_b                   13.808(3)
_cell_length_c                   21.618(5)
_cell_measurement_temperature    110(2)
_cell_volume                     2785.6(11)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.427
_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_original_formula_sum        'C56 H74 B10 Cl O2.50 P2 Rh Ru'
_cod_database_code               4060398
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
C1 C -1.2386(2) -0.45722(15) -0.35237(10) 0.0197(4) Uani 1 1 d . . .
H1 H -1.321(2) -0.4723(17) -0.3890(11) 0.024 Uiso 1 1 d . . .
B2 B -1.2011(3) -0.5518(2) -0.33690(12) 0.0253(5) Uani 1 1 d . . .
H2 H -1.274(2) -0.6350(18) -0.3654(12) 0.030 Uiso 1 1 d . . .
B3 B -1.1497(2) -0.34735(17) -0.31027(10) 0.0150(4) Uani 1 1 d . . .
H3 H -1.177(2) -0.2726(16) -0.3241(10) 0.018 Uiso 1 1 d . . .
Rh4 Rh -1.249582(15) -0.464852(11) -0.251479(7) 0.01532(4) Uani 1 1 d . . .
C41 C -1.4054(2) -0.60895(16) -0.23793(12) 0.0278(5) Uani 1 1 d . . .
H41A H -1.3867 -0.6746 -0.2500 0.033 Uiso 1 1 calc R . .
C42 C -1.4706(2) -0.57992(17) -0.29155(11) 0.0290(5) Uani 1 1 d . . .
H42A H -1.4903 -0.6289 -0.3346 0.035 Uiso 1 1 calc R . .
C43 C -1.5689(2) -0.52198(19) -0.29121(12) 0.0325(5) Uani 1 1 d . . .
H43A H -1.6634 -0.5727 -0.2927 0.039 Uiso 1 1 calc R . .
H43B H -1.5799 -0.4948 -0.3311 0.039 Uiso 1 1 calc R . .
C44 C -1.5168(2) -0.42935(18) -0.23129(11) 0.0285(5) Uani 1 1 d . . .
H44A H -1.5575 -0.3767 -0.2420 0.034 Uiso 1 1 calc R . .
H44B H -1.5504 -0.4557 -0.1953 0.034 Uiso 1 1 calc R . .
C45 C -1.3562(2) -0.37574(16) -0.20887(10) 0.0220(4) Uani 1 1 d . . .
H45A H -1.3191 -0.2990 -0.2093 0.026 Uiso 1 1 calc R . .
C46 C -1.2708(2) -0.40112(16) -0.15928(10) 0.0220(4) Uani 1 1 d . . .
H46A H -1.1847 -0.3388 -0.1312 0.026 Uiso 1 1 calc R . .
C47 C -1.3221(2) -0.48814(18) -0.12521(11) 0.0291(5) Uani 1 1 d . . .
H47A H -1.3638 -0.4636 -0.0922 0.035 Uiso 1 1 calc R . .
H47B H -1.2399 -0.5016 -0.1018 0.035 Uiso 1 1 calc R . .
C48 C -1.4320(2) -0.59208(17) -0.17144(12) 0.0302(5) Uani 1 1 d . . .
H48A H -1.4287 -0.6520 -0.1520 0.036 Uiso 1 1 calc R . .
H48B H -1.5278 -0.5911 -0.1770 0.036 Uiso 1 1 calc R . .
B5 B -1.0633(3) -0.42691(18) -0.36020(12) 0.0205(5) Uani 1 1 d . . .
H5 H -1.062(2) -0.4244(17) -0.4150(11) 0.025 Uiso 1 1 d . . .
C6 C -1.0878(2) -0.54354(16) -0.26366(10) 0.0210(4) Uani 1 1 d . . .
H6 H -1.109(2) -0.6086(18) -0.2521(11) 0.025 Uiso 1 1 d . . .
B7 B -1.0468(2) -0.32434(17) -0.22801(10) 0.0147(4) Uani 1 1 d . . .
H7 H -1.042(2) -0.2488(16) -0.2018(10) 0.018 Uiso 1 1 d . . .
B8 B -0.9649(2) -0.30648(16) -0.28947(11) 0.0145(4) Uani 1 1 d . . .
H8 H -0.910(2) -0.2124(16) -0.3003(10) 0.017 Uiso 1 1 d . . .
B9 B -1.0135(3) -0.52886(19) -0.32492(13) 0.0247(5) Uani 1 1 d . . .
H9 H -1.001(2) -0.5973(18) -0.3509(12) 0.030 Uiso 1 1 d . . .
B10 B -1.0237(2) -0.43656(18) -0.19954(12) 0.0201(4) Uani 1 1 d . . .
H10 H -1.003(2) -0.4422(17) -0.1486(11) 0.024 Uiso 1 1 d . . .
B11 B -0.8888(3) -0.39769(18) -0.30324(12) 0.0202(5) Uani 1 1 d . . .
H11 H -0.802(2) -0.3840(17) -0.3176(11) 0.024 Uiso 1 1 d . . .
B12 B -0.9116(3) -0.47438(18) -0.24345(13) 0.0223(5) Uani 1 1 d . . .
H12 H -0.840(2) -0.5159(17) -0.2216(11) 0.027 Uiso 1 1 d . . .
B13 B -0.8850(2) -0.34090(18) -0.22072(12) 0.0187(4) Uani 1 1 d . . .
H13 H -0.784(2) -0.2806(16) -0.1817(11) 0.022 Uiso 1 1 d . . .
Ru1 Ru -1.025891(14) -0.165137(11) -0.270199(7) 0.00971(4) Uani 1 1 d . . .
Cl1 Cl -1.19318(4) -0.10606(3) -0.23503(2) 0.01531(9) Uani 1 1 d . . .
P1 P -1.03149(5) -0.09287(4) -0.35902(2) 0.01156(9) Uani 1 1 d . . .
C11 C -1.0860(2) -0.19873(14) -0.43373(9) 0.0150(4) Uani 1 1 d . . .
C12 C -0.9941(2) -0.20635(16) -0.47009(10) 0.0214(4) Uani 1 1 d . . .
H12A H -0.9014 -0.1528 -0.4580 0.026 Uiso 1 1 calc R . .
C13 C -1.0354(2) -0.29082(18) -0.52371(10) 0.0275(5) Uani 1 1 d . . .
H13A H -0.9711 -0.2947 -0.5479 0.033 Uiso 1 1 calc R . .
C14 C -1.1695(2) -0.36910(17) -0.54198(10) 0.0262(5) Uani 1 1 d . . .
H14A H -1.1969 -0.4280 -0.5779 0.031 Uiso 1 1 calc R . .
C15 C -1.2642(2) -0.36141(16) -0.50763(10) 0.0234(4) Uani 1 1 d . . .
H15A H -1.3577 -0.4142 -0.5211 0.028 Uiso 1 1 calc R . .
C16 C -1.2240(2) -0.27724(15) -0.45367(9) 0.0179(4) Uani 1 1 d . . .
H16A H -1.2896 -0.2728 -0.4303 0.022 Uiso 1 1 calc R . .
C21 C -1.15021(18) -0.02320(14) -0.37906(9) 0.0137(3) Uani 1 1 d . . .
C22 C -1.1531(2) 0.05392(15) -0.32982(10) 0.0174(4) Uani 1 1 d . . .
H22A H -1.1045 0.0626 -0.2855 0.021 Uiso 1 1 calc R . .
C23 C -1.2267(2) 0.11755(16) -0.34576(10) 0.0213(4) Uani 1 1 d . . .
H23A H -1.2274 0.1704 -0.3123 0.026 Uiso 1 1 calc R . .
C24 C -1.2996(2) 0.10454(17) -0.41046(11) 0.0238(4) Uani 1 1 d . . .
H24A H -1.3498 0.1484 -0.4211 0.029 Uiso 1 1 calc R . .
C25 C -1.2989(2) 0.02732(17) -0.45945(10) 0.0238(4) Uani 1 1 d . . .
H25A H -1.3495 0.0179 -0.5036 0.029 Uiso 1 1 calc R . .
C26 C -1.2239(2) -0.03642(16) -0.44403(10) 0.0187(4) Uani 1 1 d . . .
H26A H -1.2228 -0.0888 -0.4777 0.022 Uiso 1 1 calc R . .
C31 C -0.86470(19) 0.00191(14) -0.36394(8) 0.0126(3) Uani 1 1 d . . .
C32 C -0.74237(19) -0.01859(14) -0.34657(9) 0.0156(4) Uani 1 1 d . . .
H32A H -0.7477 -0.0819 -0.3331 0.019 Uiso 1 1 calc R . .
C33 C -0.6125(2) 0.05141(15) -0.34851(10) 0.0188(4) Uani 1 1 d . . .
H33A H -0.5303 0.0356 -0.3370 0.023 Uiso 1 1 calc R . .
C34 C -0.6040(2) 0.14476(16) -0.36739(10) 0.0210(4) Uani 1 1 d . . .
H34A H -0.5154 0.1940 -0.3678 0.025 Uiso 1 1 calc R . .
C35 C -0.7257(2) 0.16586(15) -0.38560(10) 0.0194(4) Uani 1 1 d . . .
H35A H -0.7200 0.2293 -0.3990 0.023 Uiso 1 1 calc R . .
C36 C -0.8557(2) 0.09498(15) -0.38433(9) 0.0170(4) Uani 1 1 d . . .
H36A H -0.9384 0.1097 -0.3973 0.020 Uiso 1 1 calc R . .
P2 P -0.84375(5) -0.02605(4) -0.18852(2) 0.01084(9) Uani 1 1 d . . .
C51 C -0.83882(19) -0.05652(14) -0.10804(9) 0.0151(4) Uani 1 1 d . . .
C52 C -0.7124(2) -0.0441(2) -0.06446(12) 0.0420(7) Uani 1 1 d . . .
H52A H -0.6264 -0.0187 -0.0758 0.050 Uiso 1 1 calc R . .
C53 C -0.7108(3) -0.0685(3) -0.00465(15) 0.0686(11) Uani 1 1 d . . .
H53A H -0.6237 -0.0610 0.0243 0.082 Uiso 1 1 calc R . .
C54 C -0.8336(3) -0.1036(2) 0.01397(12) 0.0472(8) Uani 1 1 d . . .
H54A H -0.8308 -0.1185 0.0556 0.057 Uiso 1 1 calc R . .
C55 C -0.9597(2) -0.11658(17) -0.02897(10) 0.0249(4) Uani 1 1 d . . .
H55A H -1.0451 -0.1414 -0.0171 0.030 Uiso 1 1 calc R . .
C56 C -0.9628(2) -0.09366(15) -0.08934(9) 0.0168(4) Uani 1 1 d . . .
H56A H -1.0507 -0.1033 -0.1186 0.020 Uiso 1 1 calc R . .
C61 C -0.65869(18) 0.00797(14) -0.18870(9) 0.0137(3) Uani 1 1 d . . .
C62 C -0.5556(2) 0.11013(15) -0.16254(10) 0.0189(4) Uani 1 1 d . . .
H62A H -0.5809 0.1660 -0.1452 0.023 Uiso 1 1 calc R . .
C63 C -0.4152(2) 0.13103(16) -0.16165(11) 0.0230(4) Uani 1 1 d . . .
H63A H -0.3460 0.2013 -0.1445 0.028 Uiso 1 1 calc R . .
C64 C -0.3758(2) 0.05027(16) -0.18559(10) 0.0218(4) Uani 1 1 d . . .
H64A H -0.2805 0.0652 -0.1857 0.026 Uiso 1 1 calc R . .
C65 C -0.4765(2) -0.05262(16) -0.20948(10) 0.0211(4) Uani 1 1 d . . .
H65A H -0.4496 -0.1087 -0.2249 0.025 Uiso 1 1 calc R . .
C66 C -0.6167(2) -0.07378(15) -0.21095(9) 0.0170(4) Uani 1 1 d . . .
H66A H -0.6850 -0.1445 -0.2272 0.020 Uiso 1 1 calc R . .
C71 C -0.86335(19) 0.10192(14) -0.17826(9) 0.0135(3) Uani 1 1 d . . .
C72 C -0.8160(2) 0.16965(15) -0.21764(9) 0.0172(4) Uani 1 1 d . . .
H72A H -0.7677 0.1517 -0.2471 0.021 Uiso 1 1 calc R . .
C73 C -0.8395(2) 0.26349(15) -0.21377(10) 0.0216(4) Uani 1 1 d . . .
H73A H -0.8073 0.3092 -0.2407 0.026 Uiso 1 1 calc R . .
C74 C -0.9097(2) 0.29068(16) -0.17093(12) 0.0264(5) Uani 1 1 d . . .
H74A H -0.9248 0.3550 -0.1682 0.032 Uiso 1 1 calc R . .
C75 C -0.9573(2) 0.22392(17) -0.13222(12) 0.0300(5) Uani 1 1 d . . .
H75A H -1.0061 0.2422 -0.1031 0.036 Uiso 1 1 calc R . .
C76 C -0.9343(2) 0.12973(15) -0.13557(10) 0.0215(4) Uani 1 1 d . . .
H76A H -0.9672 0.0843 -0.1086 0.026 Uiso 1 1 calc R . .
O100 O 0.5435(2) 0.36985(13) 0.42371(9) 0.0440(5) Uani 1 1 d . . .
C101 C 0.6351(4) 0.3514(3) 0.47580(16) 0.0796(14) Uani 0.477(15) 1 d P A 1
H10A H 0.6177 0.3736 0.5178 0.096 Uiso 0.477(15) 1 calc PR A 1
H10B H 0.7354 0.3924 0.4793 0.096 Uiso 0.477(15) 1 calc PR A 1
C102 C 0.6050(9) 0.2397(5) 0.4610(4) 0.037(2) Uani 0.477(15) 1 d P A 1
H10C H 0.5339 0.2023 0.4818 0.044 Uiso 0.477(15) 1 calc PR A 1
H10D H 0.6921 0.2264 0.4767 0.044 Uiso 0.477(15) 1 calc PR A 1
C103 C 0.5477(3) 0.2024(2) 0.38721(14) 0.0474(7) Uani 0.477(15) 1 d P A 1
H10E H 0.6198 0.1901 0.3678 0.057 Uiso 0.477(15) 1 calc PR A 1
H10F H 0.4622 0.1358 0.3739 0.057 Uiso 0.477(15) 1 calc PR A 1
C111 C 0.6351(4) 0.3514(3) 0.47580(16) 0.0796(14) Uani 0.523(15) 1 d P A 2
H11A H 0.5869 0.3325 0.5094 0.096 Uiso 0.523(15) 1 calc PR A 2
H11B H 0.7219 0.4164 0.4965 0.096 Uiso 0.523(15) 1 calc PR A 2
C112 C 0.6717(11) 0.2653(8) 0.4491(3) 0.054(2) Uani 0.523(15) 1 d P A 2
H11C H 0.6799 0.2206 0.4803 0.065 Uiso 0.523(15) 1 calc PR A 2
H11D H 0.7622 0.2927 0.4381 0.065 Uiso 0.523(15) 1 calc PR A 2
C113 C 0.5477(3) 0.2024(2) 0.38721(14) 0.0474(7) Uani 0.523(15) 1 d P A 2
H11E H 0.5771 0.1647 0.3538 0.057 Uiso 0.523(15) 1 calc PR A 2
H11F H 0.4673 0.1509 0.3972 0.057 Uiso 0.523(15) 1 calc PR A 2
C104 C 0.5125(3) 0.2903(2) 0.36639(11) 0.0342(5) Uani 1 1 d . A .
H10G H 0.5695 0.3199 0.3377 0.041 Uiso 1 1 calc R B 1
H10H H 0.4109 0.2640 0.3418 0.041 Uiso 1 1 calc R B 1
O200 O -1.4366(4) -0.6701(4) -0.01506(19) 0.1421(15) Uani 1 1 d . . .
C201 C -1.3935(6) -0.6747(7) 0.0524(3) 0.202(4) Uani 1 1 d . . .
H20A H -1.3635 -0.6038 0.0819 0.242 Uiso 1 1 calc R . .
H20B H -1.3128 -0.6977 0.0600 0.242 Uiso 1 1 calc R . .
C202 C -1.5141(5) -0.7504(4) 0.0653(2) 0.1126(18) Uani 1 1 d . . .
H20C H -1.5168 -0.7277 0.1105 0.135 Uiso 1 1 calc R . .
H20D H -1.5111 -0.8220 0.0587 0.135 Uiso 1 1 calc R . .
C203 C -1.6404(4) -0.7494(3) 0.0158(2) 0.0853(13) Uani 1 1 d . . .
H20E H -1.6989 -0.8215 -0.0125 0.102 Uiso 1 1 calc R . .
H20F H -1.7001 -0.7237 0.0380 0.102 Uiso 1 1 calc R . .
C204 C -1.5784(2) -0.67505(18) -0.02362(10) 0.0820(13) Uani 1 1 d . . .
H20G H -1.6338 -0.7024 -0.0703 0.098 Uiso 1 1 calc R . .
H20H H -1.5778 -0.6038 -0.0076 0.098 Uiso 1 1 calc R . .
C301 C -1.0919(2) -0.58795(18) -0.00492(10) 0.1075(18) Uani 1 1 d RD . .
H30A H -1.0373 -0.6168 0.0252 0.129 Uiso 1 1 calc R . .
H30B H -1.1936 -0.6319 -0.0135 0.129 Uiso 1 1 calc R . .
C302 C -1.0638(2) -0.47252(18) 0.03086(10) 0.113(2) Uani 1 1 d RD . .
H30C H -1.0423 -0.4617 0.0789 0.136 Uiso 1 1 calc R . .
H30D H -1.1415 -0.4496 0.0138 0.136 Uiso 1 1 calc R . .
O303 O -1.0580(2) -0.60004(18) -0.06385(10) 0.0840(17) Uani 0.50 1 d PRD . .
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
C1 B3 1.501(3) . ?
C1 B2 1.548(3) . ?
C1 B5 1.793(3) . ?
C1 Rh4 2.225(2) . ?
B2 C6 1.721(3) . ?
B2 B9 1.834(4) . ?
B2 B5 2.050(4) . ?
B2 Rh4 2.296(3) . ?
B3 H3 1.22(2) . ?
B3 B8 1.754(3) . ?
B3 B7 1.785(3) . ?
B3 B5 1.985(3) . ?
B3 Rh4 2.322(2) . ?
B3 Ru1 2.324(2) . ?
Rh4 C46 2.144(2) . ?
Rh4 C45 2.158(2) . ?
Rh4 C42 2.203(2) . ?
Rh4 C41 2.212(2) . ?
Rh4 B7 2.230(2) . ?
Rh4 B10 2.259(2) . ?
Rh4 C6 2.343(2) . ?
C41 C42 1.396(3) . ?
C41 C48 1.522(3) . ?
C42 C43 1.505(3) . ?
C43 C44 1.527(3) . ?
C44 C45 1.520(3) . ?
C45 C46 1.407(3) . ?
C46 C47 1.509(3) . ?
C47 C48 1.526(3) . ?
B5 B11 1.841(3) . ?
B5 B9 1.866(3) . ?
B5 B8 1.884(3) . ?
C6 B9 1.681(3) . ?
C6 B12 1.685(3) . ?
C6 B10 1.691(3) . ?
B7 H7 1.09(2) . ?
B7 B8 1.737(3) . ?
B7 B13 1.764(3) . ?
B7 B10 1.821(3) . ?
B7 Ru1 2.465(2) . ?
B8 H8 1.31(2) . ?
B8 B11 1.727(3) . ?
B8 B13 1.753(3) . ?
B8 Ru1 2.261(2) . ?
B9 B12 1.745(4) . ?
B9 B11 1.755(3) . ?
B10 B13 1.799(3) . ?
B10 B12 1.819(3) . ?
B11 B12 1.795(3) . ?
B11 B13 1.824(3) . ?
B12 B13 1.742(3) . ?
Ru1 H8 1.76(2) . ?
Ru1 H3 1.78(2) . ?
Ru1 H7 2.01(2) . ?
Ru1 P1 2.2917(7) . ?
Ru1 P2 2.3390(7) . ?
Ru1 Cl1 2.3850(6) . ?
P1 C31 1.8306(19) . ?
P1 C21 1.8345(18) . ?
P1 C11 1.8418(19) . ?
C11 C12 1.391(3) . ?
C11 C16 1.405(3) . ?
C12 C13 1.387(3) . ?
C13 C14 1.378(3) . ?
C14 C15 1.385(3) . ?
C15 C16 1.391(3) . ?
C21 C26 1.398(3) . ?
C21 C22 1.401(3) . ?
C22 C23 1.386(3) . ?
C23 C24 1.392(3) . ?
C24 C25 1.389(3) . ?
C25 C26 1.396(3) . ?
C31 C32 1.391(3) . ?
C31 C36 1.400(3) . ?
C32 C33 1.390(3) . ?
C33 C34 1.390(3) . ?
C34 C35 1.391(3) . ?
C35 C36 1.391(3) . ?
P2 C71 1.8337(18) . ?
P2 C61 1.8359(19) . ?
P2 C51 1.844(2) . ?
C51 C52 1.388(3) . ?
C51 C56 1.398(3) . ?
C52 C53 1.383(3) . ?
C53 C54 1.383(4) . ?
C54 C55 1.377(3) . ?
C55 C56 1.385(3) . ?
C61 C62 1.391(3) . ?
C61 C66 1.402(3) . ?
C62 C63 1.396(3) . ?
C63 C64 1.384(3) . ?
C64 C65 1.387(3) . ?
C65 C66 1.391(3) . ?
C71 C76 1.393(3) . ?
C71 C72 1.398(3) . ?
C72 C73 1.393(3) . ?
C73 C74 1.386(3) . ?
C74 C75 1.379(3) . ?
C75 C76 1.395(3) . ?
O100 C104 1.421(3) . ?
O100 C101 1.427(3) . ?
C101 C102 1.435(7) . ?
C102 C103 1.515(7) . ?
C103 C104 1.486(4) . ?
O200 C204 1.434(4) . ?
O200 C201 1.448(6) . ?
C201 C202 1.454(7) . ?
C202 C203 1.516(6) . ?
C203 C204 1.501(5) . ?
C301 O303 1.3967 . ?
C301 C302 1.5611 . ?
C302 C301 1.814(5) 2_345 ?
O303 C302 1.289(4) 2_345 ?
