#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/4/4301026.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_4301026
_journal_name_full  'Inorganic Chemistry'
_journal_year      2005
_chemical_formula_sum  'C53 H41 Cl2 N3 O5 Os P2'
_chemical_formula_weight  1122.93
_symmetry_cell_setting  'Monoclinic'
_symmetry_space_group_name_H-M  'P 21/c'
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'
_cell_length_a  17.6020(17)
_cell_length_b  13.2730(15)
_cell_length_c  25.176(3)
_cell_angle_alpha  90.00
_cell_angle_beta  127.15(10)
_cell_angle_gamma  90.00
_cell_volume  4688.3(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  208(2)
_exptl_crystal_density_diffrn  1.591
_diffrn_ambient_temperature  208(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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.268193(15) 0.239323(15) 0.010333(11) 0.03219(7) Uani 1 d . . .
Cl1 Cl 0.04713(11) 0.24199(12) -0.24116(7) 0.0551(4) Uani 1 d . . .
Cl2 Cl 0.36201(13) -0.08127(13) -0.04866(9) 0.0644(5) Uani 1 d . . .
P1 P 0.36371(10) 0.35312(11) -0.00250(8) 0.0344(3) Uani 1 d . . .
P2 P 0.16587(10) 0.12248(11) 0.01300(7) 0.0332(3) Uani 1 d . . .
O1 O 0.1794(2) 0.2398(3) -0.09338(18) 0.0367(8) Uani 1 d . . .
O2 O 0.3143(2) 0.1122(3) -0.01405(18) 0.0339(8) Uani 1 d . . .
O3 O 0.2196(4) -0.0919(4) -0.1970(3) 0.095(2) Uani 1 d . . .
O4 O 0.0863(4) 0.0454(4) -0.2794(2) 0.0669(14) Uani 1 d . . .
N11 N 0.2096(4) 0.3545(4) 0.0251(3) 0.0502(14) Uani 1 d . . .
N12 N 0.3281(5) 0.3197(5) 0.1367(3) 0.0717(19) Uani 1 d . . .
N13 N 0.3469(3) 0.2499(4) 0.1072(2) 0.0489(13) Uani 1 d . . .
C1 C 0.1309(4) 0.1510(4) -0.1901(3) 0.0404(13) Uani 1 d . . .
C2 C 0.1855(4) 0.1632(4) -0.1228(3) 0.0314(12) Uani 1 d . . .
C3 C 0.2620(4) 0.0890(4) -0.0764(3) 0.0354(13) Uani 1 d . . .
C4 C 0.2721(4) 0.0030(4) -0.1024(3) 0.0417(14) Uani 1 d . . .
C5 C 0.2145(5) -0.0164(5) -0.1714(3) 0.0513(16) Uani 1 d . . .
C6 C 0.1365(4) 0.0622(5) -0.2197(3) 0.0482(15) Uani 1 d . . .
C11 C 0.1328(5) 0.4081(5) -0.0207(4) 0.061(2) Uani 1 d . . .
H11 H 0.1024 0.3929 -0.0658 0.074 Uiso 1 calc R . .
C12 C 0.0956(6) 0.4838(6) -0.0060(6) 0.092(3) Uani 1 d . . .
H12 H 0.0416 0.5197 -0.0402 0.110 Uiso 1 calc R . .
C13 C 0.1382(8) 0.5063(7) 0.0591(7) 0.109(4) Uani 1 d . . .
H13 H 0.1141 0.5589 0.0700 0.130 Uiso 1 calc R . .
C14 C 0.2151(7) 0.4531(7) 0.1083(5) 0.094(3) Uani 1 d . . .
H14 H 0.2441 0.4671 0.1534 0.113 Uiso 1 calc R . .
C15 C 0.2510(6) 0.3749(6) 0.0894(5) 0.071(2) Uani 1 d . . .
C16 C 0.4274(5) 0.1886(6) 0.1538(3) 0.0606(19) Uani 1 d . . .
C17 C 0.4513(7) 0.1726(9) 0.2167(4) 0.107(4) Uani 1 d . . .
H17 H 0.4151 0.2014 0.2289 0.128 Uiso 1 calc R . .
C18 C 0.5288(12) 0.1142(14) 0.2603(8) 0.170(8) Uani 1 d . . .
H18 H 0.5464 0.1030 0.3032 0.204 Uiso 1 calc R . .
C19 C 0.5800(12) 0.0727(15) 0.2433(8) 0.193(10) Uani 1 d . . .
H19 H 0.6315 0.0307 0.2740 0.232 Uiso 1 calc R . .
C20 C 0.5595(7) 0.0897(8) 0.1804(6) 0.118(4) Uani 1 d . . .
H20 H 0.5978 0.0628 0.1693 0.141 Uiso 1 calc R . .
C21 C 0.4798(4) 0.1481(5) 0.1357(4) 0.064(2) Uani 1 d . . .
H21 H 0.4619 0.1598 0.0927 0.077 Uiso 1 calc R . .
C31 C 0.3084(4) 0.4781(4) -0.0312(3) 0.0392(13) Uani 1 d . . .
C32 C 0.2163(4) 0.4830(5) -0.0902(3) 0.0468(15) Uani 1 d . . .
H32 H 0.1860 0.4238 -0.1146 0.056 Uiso 1 calc R . .
C33 C 0.1686(5) 0.5743(5) -0.1134(4) 0.0577(18) Uani 1 d . . .
H33 H 0.1071 0.5775 -0.1541 0.069 Uiso 1 calc R . .
C34 C 0.2122(6) 0.6602(5) -0.0762(4) 0.064(2) Uani 1 d . . .
H34 H 0.1793 0.7219 -0.0909 0.077 Uiso 1 calc R . .
C35 C 0.3041(5) 0.6565(5) -0.0171(4) 0.0615(19) Uani 1 d . . .
H35 H 0.3337 0.7154 0.0080 0.074 Uiso 1 calc R . .
C36 C 0.3515(4) 0.5655(4) 0.0044(3) 0.0453(15) Uani 1 d . . .
H36 H 0.4142 0.5630 0.0440 0.054 Uiso 1 calc R . .
C41 C 0.3829(4) 0.3111(4) -0.0627(3) 0.0381(13) Uani 1 d . . .
C42 C 0.4233(4) 0.2162(4) -0.0544(3) 0.0438(15) Uani 1 d . . .
H42 H 0.4435 0.1773 -0.0168 0.053 Uiso 1 calc R . .
C43 C 0.4339(5) 0.1792(5) -0.1005(3) 0.0533(17) Uani 1 d . . .
H43 H 0.4612 0.1154 -0.0942 0.064 Uiso 1 calc R . .
C44 C 0.4045(5) 0.2356(5) -0.1559(3) 0.0615(18) Uani 1 d . . .
H44 H 0.4099 0.2099 -0.1882 0.074 Uiso 1 calc R . .
C45 C 0.3668(5) 0.3304(5) -0.1630(3) 0.0613(19) Uani 1 d . . .
H45 H 0.3487 0.3698 -0.2000 0.074 Uiso 1 calc R . .
C46 C 0.3553(4) 0.3684(5) -0.1180(3) 0.0494(16) Uani 1 d . . .
H46 H 0.3289 0.4329 -0.1242 0.059 Uiso 1 calc R . .
C51 C 0.4831(4) 0.3734(4) 0.0754(3) 0.0385(13) Uani 1 d . . .
C52 C 0.4911(4) 0.4121(4) 0.1299(3) 0.0424(14) Uani 1 d . . .
H52 H 0.4362 0.4347 0.1246 0.051 Uiso 1 calc R . .
C53 C 0.5782(5) 0.4177(5) 0.1916(3) 0.0571(18) Uani 1 d . . .
H53 H 0.5827 0.4446 0.2279 0.069 Uiso 1 calc R . .
C54 C 0.6591(5) 0.3839(6) 0.2001(4) 0.064(2) Uani 1 d . . .
H54 H 0.7186 0.3865 0.2424 0.077 Uiso 1 calc R . .
C55 C 0.6519(5) 0.3459(6) 0.1458(4) 0.0627(19) Uani 1 d . . .
H55 H 0.7068 0.3229 0.1514 0.075 Uiso 1 calc R . .
C56 C 0.5644(4) 0.3417(5) 0.0836(3) 0.0465(15) Uani 1 d . . .
H56 H 0.5602 0.3174 0.0468 0.056 Uiso 1 calc R . .
C61 C 0.0693(4) 0.0782(4) -0.0705(3) 0.0350(12) Uani 1 d . . .
C62 C 0.0069(4) 0.1481(5) -0.1197(3) 0.0404(14) Uani 1 d . . .
H62 H 0.0116 0.2168 -0.1089 0.049 Uiso 1 calc R . .
C63 C -0.0613(4) 0.1163(6) -0.1838(3) 0.0565(18) Uani 1 d . . .
H63 H -0.1043 0.1630 -0.2166 0.068 Uiso 1 calc R . .
C64 C -0.0671(5) 0.0154(6) -0.2003(4) 0.068(2) Uani 1 d . . .
H64 H -0.1140 -0.0064 -0.2442 0.082 Uiso 1 calc R . .
C65 C -0.0047(6) -0.0517(6) -0.1529(4) 0.072(2) Uani 1 d . . .
H65 H -0.0073 -0.1196 -0.1645 0.086 Uiso 1 calc R . .
C66 C 0.0626(5) -0.0215(4) -0.0878(3) 0.0473(15) Uani 1 d . . .
H66 H 0.1040 -0.0692 -0.0552 0.057 Uiso 1 calc R . .
C71 C 0.1119(4) 0.1785(4) 0.0491(3) 0.0386(13) Uani 1 d . . .
C72 C 0.1686(4) 0.1895(5) 0.1184(3) 0.0533(17) Uani 1 d . . .
H72 H 0.2302 0.1617 0.1453 0.064 Uiso 1 calc R . .
C73 C 0.1339(5) 0.2411(6) 0.1470(4) 0.066(2) Uani 1 d . . .
H73 H 0.1730 0.2497 0.1935 0.080 Uiso 1 calc R . .
C74 C 0.0438(6) 0.2803(5) 0.1093(4) 0.069(2) Uani 1 d . . .
H74 H 0.0214 0.3162 0.1296 0.082 Uiso 1 calc R . .
C75 C -0.0129(5) 0.2667(5) 0.0423(4) 0.0580(17) Uani 1 d . . .
H75 H -0.0757 0.2913 0.0161 0.070 Uiso 1 calc R . .
C76 C 0.0208(4) 0.2168(4) 0.0120(3) 0.0464(15) Uani 1 d . . .
H76 H -0.0191 0.2090 -0.0346 0.056 Uiso 1 calc R . .
C81 C 0.2193(4) 0.0078(4) 0.0618(3) 0.0397(14) Uani 1 d . . .
C82 C 0.1737(4) -0.0448(5) 0.0840(3) 0.0494(16) Uani 1 d . . .
H82 H 0.1173 -0.0194 0.0753 0.059 Uiso 1 calc R . .
C83 C 0.2127(5) -0.1344(5) 0.1189(3) 0.0585(18) Uani 1 d . . .
H83 H 0.1815 -0.1701 0.1329 0.070 Uiso 1 calc R . .
C84 C 0.2959(5) -0.1717(5) 0.1332(3) 0.064(2) Uani 1 d . . .
H84 H 0.3222 -0.2316 0.1577 0.077 Uiso 1 calc R . .
C85 C 0.3406(5) -0.1207(5) 0.1112(4) 0.0617(19) Uani 1 d . . .
H85 H 0.3971 -0.1466 0.1204 0.074 Uiso 1 calc R . .
C86 C 0.3024(4) -0.0311(5) 0.0756(3) 0.0475(15) Uani 1 d . . .
H86 H 0.3333 0.0030 0.0608 0.057 Uiso 1 calc R . .
O10 O 0.1189(7) -0.1296(5) -0.3339(3) 0.147(3) Uani 1 d . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Os1 0.03176(10) 0.03252(12) 0.03280(11) -0.00483(11) 0.01977(9) -0.00408(10)
Cl1 0.0576(9) 0.0563(9) 0.0370(8) 0.0158(8) 0.0210(7) 0.0112(8)
Cl2 0.0715(12) 0.0510(10) 0.0556(11) 0.0046(8) 0.0304(10) 0.0269(8)
P1 0.0326(8) 0.0313(7) 0.0367(9) 0.0010(6) 0.0197(7) -0.0004(6)
P2 0.0330(8) 0.0359(8) 0.0316(8) -0.0059(6) 0.0199(7) -0.0054(6)
O1 0.0334(19) 0.034(2) 0.041(2) 0.0024(18) 0.0212(18) 0.0026(17)
O2 0.034(2) 0.036(2) 0.026(2) 0.0040(16) 0.0155(19) 0.0035(16)
O3 0.110(5) 0.084(4) 0.057(3) -0.021(3) 0.032(3) 0.037(3)
O4 0.075(3) 0.075(3) 0.035(3) -0.007(2) 0.025(3) 0.004(3)
N11 0.052(3) 0.045(3) 0.063(4) -0.018(3) 0.040(3) -0.017(3)
N12 0.068(4) 0.104(5) 0.061(4) -0.046(4) 0.049(4) -0.043(4)
N13 0.045(3) 0.065(3) 0.038(3) -0.009(3) 0.026(3) -0.022(3)
C1 0.042(3) 0.045(3) 0.031(3) 0.008(3) 0.020(3) 0.003(3)
C2 0.036(3) 0.031(3) 0.031(3) 0.003(2) 0.023(3) 0.002(2)
C3 0.034(3) 0.039(3) 0.036(3) 0.003(3) 0.023(3) -0.001(2)
C4 0.048(4) 0.031(3) 0.040(4) 0.001(3) 0.023(3) 0.009(3)
C5 0.056(4) 0.058(4) 0.034(4) -0.006(3) 0.024(3) 0.008(3)
C6 0.051(4) 0.056(4) 0.035(4) -0.003(3) 0.024(3) -0.001(3)
C11 0.057(4) 0.040(4) 0.103(7) -0.008(4) 0.057(5) -0.003(3)
C12 0.090(6) 0.049(5) 0.169(10) -0.029(6) 0.095(7) -0.004(4)
C13 0.105(8) 0.083(7) 0.181(12) -0.072(8) 0.109(9) -0.029(6)
C14 0.090(7) 0.106(7) 0.114(8) -0.073(6) 0.076(7) -0.046(6)
C15 0.052(5) 0.076(5) 0.096(7) -0.044(5) 0.050(5) -0.031(4)
C16 0.060(5) 0.081(5) 0.031(4) 0.000(3) 0.022(4) -0.025(4)
C17 0.086(6) 0.169(10) 0.033(4) 0.015(6) 0.019(5) -0.045(7)
C18 0.156(17) 0.198(19) 0.066(9) 0.056(11) 0.020(10) -0.048(13)
C19 0.121(14) 0.221(19) 0.089(13) 0.080(12) -0.015(9) 0.038(12)
C20 0.067(6) 0.121(9) 0.105(9) 0.037(7) 0.021(6) 0.017(6)
C21 0.037(4) 0.057(4) 0.050(5) 0.014(4) 0.001(4) 0.001(3)
C31 0.043(3) 0.037(3) 0.045(4) 0.005(3) 0.030(3) 0.001(3)
C32 0.041(4) 0.044(3) 0.050(4) 0.004(3) 0.025(3) 0.003(3)
C33 0.051(4) 0.055(4) 0.065(5) 0.020(4) 0.034(4) 0.015(3)
C34 0.081(5) 0.042(4) 0.087(6) 0.023(4) 0.059(5) 0.025(4)
C35 0.080(5) 0.036(4) 0.083(6) 0.003(3) 0.057(5) 0.001(3)
C36 0.050(4) 0.038(3) 0.049(4) 0.002(3) 0.031(3) -0.003(3)
C41 0.032(3) 0.047(3) 0.034(3) 0.002(3) 0.019(3) -0.005(3)
C42 0.046(4) 0.042(3) 0.052(4) 0.010(3) 0.034(3) 0.002(3)
C43 0.057(4) 0.054(4) 0.063(5) 0.002(3) 0.044(4) 0.007(3)
C44 0.077(5) 0.069(5) 0.054(4) -0.006(4) 0.047(4) 0.004(4)
C45 0.081(5) 0.063(5) 0.048(4) 0.010(3) 0.044(4) 0.007(4)
C46 0.056(4) 0.044(4) 0.047(4) 0.004(3) 0.031(4) 0.004(3)
C51 0.036(3) 0.036(3) 0.035(3) 0.001(2) 0.017(3) -0.004(2)
C52 0.035(3) 0.042(3) 0.044(4) 0.001(3) 0.020(3) -0.002(3)
C53 0.054(4) 0.061(4) 0.045(4) -0.003(3) 0.023(4) -0.010(3)
C54 0.035(4) 0.092(6) 0.042(4) 0.012(4) 0.011(3) -0.004(4)
C55 0.039(4) 0.082(5) 0.062(5) 0.011(4) 0.027(4) 0.007(3)
C56 0.038(3) 0.060(4) 0.041(4) 0.001(3) 0.024(3) -0.001(3)
C61 0.038(3) 0.039(3) 0.030(3) -0.006(2) 0.022(3) -0.008(2)
C62 0.031(3) 0.046(3) 0.038(4) -0.008(3) 0.018(3) -0.008(3)
C63 0.041(4) 0.079(5) 0.047(4) 0.007(4) 0.025(4) -0.009(3)
C64 0.073(5) 0.087(6) 0.033(4) -0.024(4) 0.026(4) -0.038(4)
C65 0.099(6) 0.061(5) 0.053(5) -0.024(4) 0.045(5) -0.032(4)
C66 0.065(4) 0.043(3) 0.038(4) -0.005(3) 0.033(4) -0.013(3)
C71 0.041(3) 0.040(3) 0.041(3) -0.009(3) 0.028(3) -0.009(3)
C72 0.042(4) 0.079(5) 0.034(4) -0.012(3) 0.021(3) -0.010(3)
C73 0.077(5) 0.085(5) 0.054(4) -0.023(4) 0.049(4) -0.026(5)
C74 0.095(6) 0.062(5) 0.088(6) -0.025(4) 0.075(6) -0.018(4)
C75 0.065(4) 0.056(4) 0.075(5) -0.003(4) 0.054(4) 0.003(3)
C76 0.052(4) 0.043(3) 0.053(4) -0.008(3) 0.036(3) -0.007(3)
C81 0.040(3) 0.045(3) 0.031(3) -0.003(3) 0.020(3) -0.003(3)
C82 0.045(4) 0.057(4) 0.049(4) 0.007(3) 0.029(3) -0.007(3)
C83 0.055(4) 0.070(5) 0.043(4) 0.014(3) 0.025(4) -0.010(4)
C84 0.065(5) 0.062(5) 0.051(4) 0.021(4) 0.027(4) 0.003(4)
C85 0.054(4) 0.062(4) 0.070(5) 0.020(4) 0.038(4) 0.017(3)
C86 0.049(4) 0.056(4) 0.041(4) 0.005(3) 0.029(3) -0.001(3)
O10 0.269(10) 0.097(5) 0.086(5) -0.036(4) 0.113(6) -0.061(6)
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
Os1 N13 1.951(5) . y
Os1 N11 2.001(5) . y
Os1 O1 2.081(5) . y
Os1 O2 2.117(4) . y
Os1 P2 2.4083(14) . y
Os1 P1 2.4224(15) . y
Cl1 C1 1.731(6) . ?
Cl2 C4 1.732(6) . ?
P1 C41 1.828(6) . ?
P1 C51 1.833(6) . ?
P1 C31 1.836(6) . ?
P2 C81 1.821(6) . ?
P2 C71 1.825(6) . ?
P2 C61 1.827(6) . ?
O1 C2 1.300(6) . ?
O2 C3 1.288(7) . ?
O3 C5 1.224(7) . ?
O3 O10 2.809(8) . ?
O4 C6 1.218(7) . ?
O4 O10 2.924(9) . ?
N11 C11 1.334(9) . ?
N11 C15 1.342(9) . ?
N12 N13 1.349(7) . ?
N12 C15 1.358(10) . ?
N13 C16 1.428(9) . ?
C1 C2 1.361(8) . ?
C1 C6 1.430(8) . ?
C2 C3 1.500(7) . ?
C3 C4 1.380(8) . ?
C4 C5 1.408(8) . ?
C5 C6 1.561(9) . ?
C11 C12 1.366(9) . ?
C11 H11 0.9400 . ?
C12 C13 1.361(13) . ?
C12 H12 0.9400 . ?
C13 C14 1.356(14) . ?
C13 H13 0.9400 . ?
C14 C15 1.437(10) . ?
C14 H14 0.9400 . ?
C16 C21 1.362(10) . ?
C16 C17 1.387(10) . ?
C17 C18 1.363(17) . ?
C17 H17 0.9400 . ?
C18 C19 1.33(2) . ?
C18 H18 0.9400 . ?
C19 C20 1.414(19) . ?
C19 H19 0.9400 . ?
C20 C21 1.389(11) . ?
C20 H20 0.9400 . ?
C21 H21 0.9400 . ?
C31 C36 1.381(8) . ?
C31 C32 1.389(8) . ?
C32 C33 1.386(8) . ?
C32 H32 0.9400 . ?
C33 C34 1.378(10) . ?
C33 H33 0.9400 . ?
C34 C35 1.388(10) . ?
C34 H34 0.9400 . ?
C35 C36 1.379(8) . ?
C35 H35 0.9400 . ?
C36 H36 0.9400 . ?
C41 C46 1.391(8) . ?
C41 C42 1.398(8) . ?
C42 C43 1.372(8) . ?
C42 H42 0.9400 . ?
C43 C44 1.378(9) . ?
C43 H43 0.9400 . ?
C44 C45 1.383(9) . ?
C44 H44 0.9400 . ?
C45 C46 1.363(9) . ?
C45 H45 0.9400 . ?
C46 H46 0.9400 . ?
C51 C56 1.383(8) . ?
C51 C52 1.390(8) . ?
C52 C53 1.375(8) . ?
C52 H52 0.9400 . ?
C53 C54 1.380(9) . ?
C53 H53 0.9400 . ?
C54 C55 1.389(10) . ?
C54 H54 0.9400 . ?
C55 C56 1.385(9) . ?
C55 H55 0.9400 . ?
C56 H56 0.9400 . ?
C61 C66 1.376(8) . ?
C61 C62 1.400(8) . ?
C62 C63 1.372(8) . ?
C62 H62 0.9400 . ?
C63 C64 1.389(10) . ?
C63 H63 0.9400 . ?
C64 C65 1.357(10) . ?
C64 H64 0.9400 . ?
C65 C66 1.380(9) . ?
C65 H65 0.9400 . ?
C66 H66 0.9400 . ?
C71 C76 1.375(8) . ?
C71 C72 1.398(8) . ?
C72 C73 1.375(9) . ?
C72 H72 0.9400 . ?
C73 C74 1.366(10) . ?
C73 H73 0.9400 . ?
C74 C75 1.358(10) . ?
C74 H74 0.9400 . ?
C75 C76 1.385(8) . ?
C75 H75 0.9400 . ?
C76 H76 0.9400 . ?
C81 C86 1.384(8) . ?
C81 C82 1.410(8) . ?
C82 C83 1.389(9) . ?
C82 H82 0.9400 . ?
C83 C84 1.372(9) . ?
C83 H83 0.9400 . ?
C84 C85 1.382(9) . ?
C84 H84 0.9400 . ?
C85 C86 1.394(8) . ?
C85 H85 0.9400 . ?
C86 H86 0.9400 . ?