#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/18/4061820.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_4061820
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om058038d
_journal_year                    2005
_chemical_formula_sum            'C30 H50 Si3 Ti'
_chemical_formula_weight         542.87
_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                106.5850(7)
_cell_angle_beta                 104.7610(7)
_cell_angle_gamma                90.6820(8)
_cell_formula_units_Z            4
_cell_length_a                   9.96500(10)
_cell_length_b                   18.2720(2)
_cell_length_c                   18.8890(3)
_cell_measurement_temperature    150(2)
_cell_volume                     3174.13(7)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.136
_cod_database_code               4061820
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
Ti1 Ti 0.21719(2) 0.544807(14) 0.332682(14) 0.01388(6) Uani 1 1 d . . .
Ti2 Ti 0.61448(3) 0.046509(14) 0.330353(14) 0.01583(6) Uani 1 1 d . . .
Si11 Si 0.35023(4) 0.47583(3) 0.10057(2) 0.02147(9) Uani 1 1 d . . .
Si12 Si 0.13497(4) 0.35658(2) 0.13282(2) 0.01900(9) Uani 1 1 d . . .
Si13 Si -0.07600(4) 0.31416(2) 0.22974(3) 0.02302(9) Uani 1 1 d . . .
Si21 Si 0.24298(5) -0.05034(3) 0.10789(3) 0.02649(10) Uani 1 1 d . . .
Si22 Si 0.51924(4) -0.15019(2) 0.13871(2) 0.02026(9) Uani 1 1 d . . .
Si23 Si 0.80456(5) -0.18976(2) 0.25293(3) 0.02517(10) Uani 1 1 d . . .
C101 C 0.45260(15) 0.57277(9) 0.40622(8) 0.0199(3) Uani 1 1 d . . .
C102 C 0.43951(14) 0.49245(8) 0.36956(8) 0.0185(3) Uani 1 1 d . . .
C103 C 0.34340(15) 0.45733(8) 0.39690(8) 0.0188(3) Uani 1 1 d . . .
C104 C 0.29754(15) 0.51527(9) 0.45098(8) 0.0197(3) Uani 1 1 d . . .
C105 C 0.36653(15) 0.58584(9) 0.45716(8) 0.0204(3) Uani 1 1 d . . .
H105 H 0.3570 0.6333 0.4895 0.024 Uiso 1 1 calc R . .
C106 C 0.54593(16) 0.63228(9) 0.39635(10) 0.0269(3) Uani 1 1 d . . .
H10A H 0.6379 0.6349 0.4294 0.040 Uiso 1 1 calc R . .
H10B H 0.5096 0.6813 0.4094 0.040 Uiso 1 1 calc R . .
H10C H 0.5499 0.6186 0.3440 0.040 Uiso 1 1 calc R . .
C107 C 0.52378(16) 0.44951(9) 0.31850(9) 0.0243(3) Uani 1 1 d . . .
H10D H 0.5945 0.4259 0.3471 0.036 Uiso 1 1 calc R . .
H10E H 0.5669 0.4844 0.2996 0.036 Uiso 1 1 calc R . .
H10F H 0.4640 0.4107 0.2761 0.036 Uiso 1 1 calc R . .
C108 C 0.31235(17) 0.37286(9) 0.37980(9) 0.0245(3) Uani 1 1 d . . .
H10G H 0.3845 0.3537 0.4123 0.037 Uiso 1 1 calc R . .
H10H H 0.3081 0.3477 0.3271 0.037 Uiso 1 1 calc R . .
H10I H 0.2245 0.3630 0.3890 0.037 Uiso 1 1 calc R . .
C109 C 0.20284(17) 0.50117(10) 0.49698(9) 0.0278(3) Uani 1 1 d . . .
H10J H 0.1149 0.4766 0.4629 0.042 Uiso 1 1 calc R . .
H10K H 0.1885 0.5492 0.5304 0.042 Uiso 1 1 calc R . .
H10L H 0.2445 0.4688 0.5270 0.042 Uiso 1 1 calc R . .
C110 C 0.07195(15) 0.63864(8) 0.38268(9) 0.0204(3) Uani 1 1 d . . .
C111 C -0.01398(15) 0.58788(8) 0.31444(9) 0.0187(3) Uani 1 1 d . . .
C112 C 0.03491(15) 0.59448(8) 0.25172(9) 0.0191(3) Uani 1 1 d . . .
C113 C 0.15313(16) 0.64957(8) 0.28155(9) 0.0208(3) Uani 1 1 d . . .
C114 C 0.17571(16) 0.67581(8) 0.36181(9) 0.0215(3) Uani 1 1 d . . .
H114 H 0.2471 0.7117 0.3958 0.026 Uiso 1 1 calc R . .
C115 C 0.04458(18) 0.65856(10) 0.46015(10) 0.0300(4) Uani 1 1 d . . .
H11A H -0.0159 0.6991 0.4648 0.045 Uiso 1 1 calc R . .
H11B H 0.1311 0.6750 0.4993 0.045 Uiso 1 1 calc R . .
H11C H 0.0011 0.6143 0.4660 0.045 Uiso 1 1 calc R . .
C116 C -0.14419(15) 0.54172(9) 0.30792(10) 0.0251(3) Uani 1 1 d . . .
H11D H -0.1594 0.4965 0.2647 0.038 Uiso 1 1 calc R . .
H11E H -0.2220 0.5719 0.3011 0.038 Uiso 1 1 calc R . .
H11F H -0.1346 0.5272 0.3538 0.038 Uiso 1 1 calc R . .
C117 C -0.03742(17) 0.55605(9) 0.16897(9) 0.0258(3) Uani 1 1 d . . .
H11G H -0.1234 0.5782 0.1550 0.039 Uiso 1 1 calc R . .
H11H H -0.0564 0.5023 0.1610 0.039 Uiso 1 1 calc R . .
H11I H 0.0212 0.5631 0.1378 0.039 Uiso 1 1 calc R . .
C118 C 0.23237(18) 0.67991(10) 0.23676(11) 0.0304(4) Uani 1 1 d . . .
H11J H 0.2351 0.6398 0.1916 0.046 Uiso 1 1 calc R . .
H11K H 0.3257 0.6979 0.2678 0.046 Uiso 1 1 calc R . .
H11L H 0.1871 0.7215 0.2222 0.046 Uiso 1 1 calc R . .
C119 C 0.24576(14) 0.49189(8) 0.23044(8) 0.0174(3) Uani 1 1 d . . .
C120 C 0.24897(15) 0.44849(8) 0.16138(8) 0.0180(3) Uani 1 1 d . . .
C121 C 0.11495(14) 0.44418(8) 0.26752(8) 0.0164(3) Uani 1 1 d . . .
C122 C 0.05708(15) 0.37805(8) 0.21647(8) 0.0176(3) Uani 1 1 d . . .
C123 C 0.50501(18) 0.54521(11) 0.15823(10) 0.0344(4) Uani 1 1 d . . .
H12A H 0.5746 0.5196 0.1850 0.052 Uiso 1 1 calc R . .
H12B H 0.4776 0.5866 0.1946 0.052 Uiso 1 1 calc R . .
H12C H 0.5425 0.5652 0.1247 0.052 Uiso 1 1 calc R . .
C124 C 0.2344(2) 0.52001(12) 0.03255(10) 0.0367(4) Uani 1 1 d . . .
H12D H 0.2807 0.5260 -0.0045 0.055 Uiso 1 1 calc R . .
H12E H 0.2137 0.5693 0.0605 0.055 Uiso 1 1 calc R . .
H12F H 0.1494 0.4875 0.0067 0.055 Uiso 1 1 calc R . .
C125 C 0.4120(2) 0.38852(11) 0.04228(11) 0.0402(4) Uani 1 1 d . . .
H12G H 0.4685 0.3634 0.0759 0.060 Uiso 1 1 calc R . .
H12H H 0.4660 0.4033 0.0123 0.060 Uiso 1 1 calc R . .
H12I H 0.3331 0.3541 0.0088 0.060 Uiso 1 1 calc R . .
C126 C 0.2413(2) 0.27222(10) 0.12856(11) 0.0345(4) Uani 1 1 d . . .
H12J H 0.1813 0.2267 0.1179 0.052 Uiso 1 1 calc R . .
H12K H 0.3095 0.2804 0.1769 0.052 Uiso 1 1 calc R . .
H12L H 0.2874 0.2664 0.0887 0.052 Uiso 1 1 calc R . .
C127 C 0.0027(2) 0.33584(11) 0.03771(10) 0.0346(4) Uani 1 1 d . . .
H12M H -0.0514 0.2883 0.0273 0.052 Uiso 1 1 calc R . .
H12N H 0.0493 0.3321 -0.0017 0.052 Uiso 1 1 calc R . .
H12O H -0.0576 0.3765 0.0388 0.052 Uiso 1 1 calc R . .
C128 C -0.2481(2) 0.31444(13) 0.16057(13) 0.0457(5) Uani 1 1 d . . .
H12P H -0.2382 0.2994 0.1093 0.069 Uiso 1 1 calc R . .
H12Q H -0.2788 0.3650 0.1722 0.069 Uiso 1 1 calc R . .
H12R H -0.3154 0.2790 0.1648 0.069 Uiso 1 1 calc R . .
C129 C -0.0993(2) 0.34392(11) 0.32874(11) 0.0356(4) Uani 1 1 d . . .
H12S H -0.1769 0.3133 0.3303 0.053 Uiso 1 1 calc R . .
H12T H -0.1167 0.3970 0.3425 0.053 Uiso 1 1 calc R . .
H12U H -0.0164 0.3367 0.3643 0.053 Uiso 1 1 calc R . .
C130 C -0.0224(2) 0.21467(10) 0.20986(15) 0.0478(5) Uani 1 1 d . . .
H13A H -0.0237 0.1952 0.1568 0.072 Uiso 1 1 calc R . .
H13B H -0.0859 0.1826 0.2212 0.072 Uiso 1 1 calc R . .
H13C H 0.0701 0.2149 0.2414 0.072 Uiso 1 1 calc R . .
C201 C 0.63290(16) 0.16398(8) 0.30006(10) 0.0240(3) Uani 1 1 d . . .
C202 C 0.67487(16) 0.10817(9) 0.24259(9) 0.0222(3) Uani 1 1 d . . .
C203 C 0.79782(15) 0.07979(8) 0.27820(10) 0.0224(3) Uani 1 1 d . . .
C204 C 0.83152(16) 0.11759(9) 0.35793(10) 0.0246(3) Uani 1 1 d . . .
C205 C 0.73039(16) 0.17011(9) 0.37047(10) 0.0252(3) Uani 1 1 d . . .
H205 H 0.7287 0.2034 0.4178 0.030 Uiso 1 1 calc R . .
C206 C 0.5154(2) 0.21353(11) 0.28630(13) 0.0386(4) Uani 1 1 d . . .
H20A H 0.5342 0.2446 0.2561 0.058 Uiso 1 1 calc R . .
H20B H 0.5070 0.2460 0.3346 0.058 Uiso 1 1 calc R . .
H20C H 0.4300 0.1816 0.2595 0.058 Uiso 1 1 calc R . .
C207 C 0.6118(2) 0.09032(11) 0.15797(10) 0.0335(4) Uani 1 1 d . . .
H20D H 0.5150 0.0993 0.1482 0.050 Uiso 1 1 calc R . .
H20E H 0.6205 0.0376 0.1331 0.050 Uiso 1 1 calc R . .
H20F H 0.6594 0.1226 0.1383 0.050 Uiso 1 1 calc R . .
C208 C 0.88589(18) 0.02674(10) 0.23689(12) 0.0327(4) Uani 1 1 d . . .
H20G H 0.9483 0.0559 0.2218 0.049 Uiso 1 1 calc R . .
H20H H 0.8269 -0.0098 0.1922 0.049 Uiso 1 1 calc R . .
H20I H 0.9388 0.0002 0.2703 0.049 Uiso 1 1 calc R . .
C209 C 0.95743(18) 0.10886(12) 0.41756(12) 0.0385(4) Uani 1 1 d . . .
H20J H 0.9736 0.0557 0.4077 0.058 Uiso 1 1 calc R . .
H20K H 0.9419 0.1279 0.4675 0.058 Uiso 1 1 calc R . .
H20L H 1.0372 0.1374 0.4156 0.058 Uiso 1 1 calc R . .
C210 C 0.62841(17) -0.00635(10) 0.43390(9) 0.0265(3) Uani 1 1 d . . .
C211 C 0.49477(17) -0.03362(9) 0.38239(9) 0.0236(3) Uani 1 1 d . . .
C212 C 0.41703(16) 0.03050(9) 0.37893(9) 0.0251(3) Uani 1 1 d . . .
C213 C 0.50140(17) 0.09732(9) 0.42860(9) 0.0273(3) Uani 1 1 d . . .
C214 C 0.63141(18) 0.07387(10) 0.46181(9) 0.0285(4) Uani 1 1 d . . .
H214 H 0.7068 0.1064 0.4966 0.034 Uiso 1 1 calc R . .
C215 C 0.7421(2) -0.05414(12) 0.45900(11) 0.0395(4) Uani 1 1 d . . .
H21A H 0.8302 -0.0238 0.4772 0.059 Uiso 1 1 calc R . .
H21B H 0.7442 -0.0975 0.4164 0.059 Uiso 1 1 calc R . .
H21C H 0.7247 -0.0716 0.4994 0.059 Uiso 1 1 calc R . .
C216 C 0.4379(2) -0.11573(10) 0.34463(10) 0.0323(4) Uani 1 1 d . . .
H21D H 0.5134 -0.1479 0.3457 0.048 Uiso 1 1 calc R . .
H21E H 0.3870 -0.1223 0.2924 0.048 Uiso 1 1 calc R . .
H21F H 0.3768 -0.1296 0.3716 0.048 Uiso 1 1 calc R . .
C217 C 0.26684(17) 0.02588(12) 0.33639(11) 0.0362(4) Uani 1 1 d . . .
H21G H 0.2096 0.0109 0.3647 0.054 Uiso 1 1 calc R . .
H21H H 0.2500 -0.0113 0.2868 0.054 Uiso 1 1 calc R . .
H21I H 0.2445 0.0751 0.3304 0.054 Uiso 1 1 calc R . .
C218 C 0.4551(2) 0.17667(11) 0.45067(13) 0.0435(5) Uani 1 1 d . . .
H21J H 0.3875 0.1843 0.4076 0.065 Uiso 1 1 calc R . .
H21K H 0.5340 0.2138 0.4659 0.065 Uiso 1 1 calc R . .
H21L H 0.4141 0.1827 0.4926 0.065 Uiso 1 1 calc R . .
C219 C 0.48724(15) -0.01607(8) 0.23097(8) 0.0181(3) Uani 1 1 d . . .
C220 C 0.41677(15) -0.06583(8) 0.16514(8) 0.0191(3) Uani 1 1 d . . .
C221 C 0.65654(15) -0.05657(8) 0.27390(8) 0.0182(3) Uani 1 1 d . . .
C222 C 0.66661(15) -0.12557(8) 0.22902(9) 0.0196(3) Uani 1 1 d . . .
C223 C 0.2034(2) 0.05191(11) 0.13676(13) 0.0416(5) Uani 1 1 d . . .
H22A H 0.2214 0.0704 0.1915 0.062 Uiso 1 1 calc R . .
H22B H 0.1072 0.0556 0.1133 0.062 Uiso 1 1 calc R . .
H22C H 0.2613 0.0823 0.1202 0.062 Uiso 1 1 calc R . .
C224 C 0.10405(19) -0.11267(12) 0.11923(13) 0.0443(5) Uani 1 1 d . . .
H22D H 0.1257 -0.1651 0.1059 0.066 Uiso 1 1 calc R . .
H22E H 0.0158 -0.1082 0.0861 0.066 Uiso 1 1 calc R . .
H22F H 0.0994 -0.0966 0.1715 0.066 Uiso 1 1 calc R . .
C225 C 0.2390(3) -0.07849(16) 0.00444(11) 0.0579(6) Uani 1 1 d . . .
H22G H 0.3122 -0.0489 -0.0025 0.087 Uiso 1 1 calc R . .
H22H H 0.1506 -0.0691 -0.0249 0.087 Uiso 1 1 calc R . .
H22I H 0.2520 -0.1320 -0.0126 0.087 Uiso 1 1 calc R . .
C226 C 0.5833(2) -0.15116(11) 0.05318(10) 0.0351(4) Uani 1 1 d . . .
H22J H 0.6320 -0.1023 0.0620 0.053 Uiso 1 1 calc R . .
H22K H 0.5054 -0.1609 0.0086 0.053 Uiso 1 1 calc R . .
H22L H 0.6453 -0.1907 0.0452 0.053 Uiso 1 1 calc R . .
C227 C 0.4192(2) -0.24545(9) 0.11600(11) 0.0340(4) Uani 1 1 d . . .
H22M H 0.4799 -0.2855 0.1076 0.051 Uiso 1 1 calc R . .
H22N H 0.3436 -0.2531 0.0706 0.051 Uiso 1 1 calc R . .
H22O H 0.3828 -0.2465 0.1582 0.051 Uiso 1 1 calc R . .
C228 C 0.7369(2) -0.25901(11) 0.29499(13) 0.0429(5) Uani 1 1 d . . .
H22P H 0.7181 -0.2313 0.3424 0.064 Uiso 1 1 calc R . .
H22Q H 0.8054 -0.2941 0.3044 0.064 Uiso 1 1 calc R . .
H22R H 0.6526 -0.2871 0.2597 0.064 Uiso 1 1 calc R . .
C229 C 0.97057(18) -0.13785(11) 0.32237(12) 0.0366(4) Uani 1 1 d . . .
H22S H 1.0195 -0.1125 0.2970 0.055 Uiso 1 1 calc R . .
H22T H 1.0277 -0.1739 0.3411 0.055 Uiso 1 1 calc R . .
H22U H 0.9497 -0.1006 0.3646 0.055 Uiso 1 1 calc R . .
C230 C 0.8467(2) -0.24652(11) 0.16314(12) 0.0406(5) Uani 1 1 d . . .
H23A H 0.7654 -0.2785 0.1289 0.061 Uiso 1 1 calc R . .
H23B H 0.9201 -0.2780 0.1756 0.061 Uiso 1 1 calc R . .
H23C H 0.8763 -0.2122 0.1388 0.061 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
Ti1 C121 1.9894(14) . ?
Ti1 C119 1.9916(15) . ?
Ti1 C105 2.3430(14) . ?
Ti1 C114 2.3645(14) . ?
Ti1 C101 2.3663(14) . ?
Ti1 C104 2.3900(14) . ?
Ti1 C110 2.3995(14) . ?
Ti1 C113 2.4031(15) . ?
Ti1 C111 2.4162(14) . ?
Ti1 C112 2.4245(14) . ?
Ti1 C102 2.4399(14) . ?
Ti1 C103 2.4465(14) . ?
Ti2 C221 1.9900(15) . ?
Ti2 C219 1.9916(15) . ?
Ti2 C214 2.3495(15) . ?
Ti2 C205 2.3503(15) . ?
Ti2 C204 2.3682(15) . ?
Ti2 C213 2.3838(15) . ?
Ti2 C201 2.3904(15) . ?
Ti2 C210 2.3919(16) . ?
Ti2 C212 2.4204(15) . ?
Ti2 C203 2.4312(14) . ?
Ti2 C211 2.4312(15) . ?
Ti2 C202 2.4368(15) . ?
Si11 C123 1.8659(18) . ?
Si11 C124 1.8690(18) . ?
Si11 C120 1.8691(15) . ?
Si11 C125 1.8713(18) . ?
Si12 C127 1.8711(17) . ?
Si12 C126 1.8751(17) . ?
Si12 C120 1.8780(15) . ?
Si12 C122 1.8791(15) . ?
Si13 C130 1.8621(19) . ?
Si13 C122 1.8665(15) . ?
Si13 C129 1.8683(18) . ?
Si13 C128 1.874(2) . ?
Si21 C225 1.863(2) . ?
Si21 C220 1.8658(16) . ?
Si21 C223 1.8678(19) . ?
Si21 C224 1.874(2) . ?
Si22 C227 1.8768(17) . ?
Si22 C220 1.8778(15) . ?
Si22 C226 1.8781(17) . ?
Si22 C222 1.8812(16) . ?
Si23 C222 1.8691(15) . ?
Si23 C230 1.870(2) . ?
Si23 C229 1.8717(18) . ?
Si23 C228 1.8743(19) . ?
C101 C105 1.419(2) . ?
C101 C102 1.421(2) . ?
C101 C106 1.504(2) . ?
C102 C103 1.422(2) . ?
C102 C107 1.499(2) . ?
C103 C104 1.416(2) . ?
C103 C108 1.495(2) . ?
C104 C105 1.414(2) . ?
C104 C109 1.501(2) . ?
C105 H105 0.9300 . ?
C106 H10A 0.9600 . ?
C106 H10B 0.9600 . ?
C106 H10C 0.9600 . ?
C107 H10D 0.9600 . ?
C107 H10E 0.9600 . ?
C107 H10F 0.9600 . ?
C108 H10G 0.9600 . ?
C108 H10H 0.9600 . ?
C108 H10I 0.9600 . ?
C109 H10J 0.9600 . ?
C109 H10K 0.9600 . ?
C109 H10L 0.9600 . ?
C110 C111 1.411(2) . ?
C110 C114 1.425(2) . ?
C110 C115 1.500(2) . ?
C111 C112 1.425(2) . ?
C111 C116 1.498(2) . ?
C112 C113 1.424(2) . ?
C112 C117 1.498(2) . ?
C113 C114 1.410(2) . ?
C113 C118 1.498(2) . ?
C114 H114 0.9300 . ?
C115 H11A 0.9600 . ?
C115 H11B 0.9600 . ?
C115 H11C 0.9600 . ?
C116 H11D 0.9600 . ?
C116 H11E 0.9600 . ?
C116 H11F 0.9600 . ?
C117 H11G 0.9600 . ?
C117 H11H 0.9600 . ?
C117 H11I 0.9600 . ?
C118 H11J 0.9600 . ?
C118 H11K 0.9600 . ?
C118 H11L 0.9600 . ?
C119 C120 1.328(2) . ?
C119 C121 1.9329(19) . ?
C121 C122 1.326(2) . ?
C123 H12A 0.9600 . ?
C123 H12B 0.9600 . ?
C123 H12C 0.9600 . ?
C124 H12D 0.9600 . ?
C124 H12E 0.9600 . ?
C124 H12F 0.9600 . ?
C125 H12G 0.9600 . ?
C125 H12H 0.9600 . ?
C125 H12I 0.9600 . ?
C126 H12J 0.9600 . ?
C126 H12K 0.9600 . ?
C126 H12L 0.9600 . ?
C127 H12M 0.9600 . ?
C127 H12N 0.9600 . ?
C127 H12O 0.9600 . ?
C128 H12P 0.9600 . ?
C128 H12Q 0.9600 . ?
C128 H12R 0.9600 . ?
C129 H12S 0.9600 . ?
C129 H12T 0.9600 . ?
C129 H12U 0.9600 . ?
C130 H13A 0.9600 . ?
C130 H13B 0.9600 . ?
C130 H13C 0.9600 . ?
C201 C205 1.407(2) . ?
C201 C202 1.415(2) . ?
C201 C206 1.504(2) . ?
C202 C203 1.420(2) . ?
C202 C207 1.497(2) . ?
C203 C204 1.415(2) . ?
C203 C208 1.502(2) . ?
C204 C205 1.417(2) . ?
C204 C209 1.502(2) . ?
C205 H205 0.9300 . ?
C206 H20A 0.9600 . ?
C206 H20B 0.9600 . ?
C206 H20C 0.9600 . ?
C207 H20D 0.9600 . ?
C207 H20E 0.9600 . ?
C207 H20F 0.9600 . ?
C208 H20G 0.9600 . ?
C208 H20H 0.9600 . ?
C208 H20I 0.9600 . ?
C209 H20J 0.9600 . ?
C209 H20K 0.9600 . ?
C209 H20L 0.9600 . ?
C210 C214 1.406(2) . ?
C210 C211 1.420(2) . ?
C210 C215 1.502(3) . ?
C211 C212 1.420(2) . ?
C211 C216 1.498(2) . ?
C212 C213 1.413(2) . ?
C212 C217 1.496(2) . ?
C213 C214 1.417(3) . ?
C213 C218 1.503(2) . ?
C214 H214 0.9300 . ?
C215 H21A 0.9600 . ?
C215 H21B 0.9600 . ?
C215 H21C 0.9600 . ?
C216 H21D 0.9600 . ?
C216 H21E 0.9600 . ?
C216 H21F 0.9600 . ?
C217 H21G 0.9600 . ?
C217 H21H 0.9600 . ?
C217 H21I 0.9600 . ?
C218 H21J 0.9600 . ?
C218 H21K 0.9600 . ?
C218 H21L 0.9600 . ?
C219 C220 1.327(2) . ?
C219 C221 1.930(2) . ?
C221 C222 1.325(2) . ?
C223 H22A 0.9600 . ?
C223 H22B 0.9600 . ?
C223 H22C 0.9600 . ?
C224 H22D 0.9600 . ?
C224 H22E 0.9600 . ?
C224 H22F 0.9600 . ?
C225 H22G 0.9600 . ?
C225 H22H 0.9600 . ?
C225 H22I 0.9600 . ?
C226 H22J 0.9600 . ?
C226 H22K 0.9600 . ?
C226 H22L 0.9600 . ?
C227 H22M 0.9600 . ?
C227 H22N 0.9600 . ?
C227 H22O 0.9600 . ?
C228 H22P 0.9600 . ?
C228 H22Q 0.9600 . ?
C228 H22R 0.9600 . ?
C229 H22S 0.9600 . ?
C229 H22T 0.9600 . ?
C229 H22U 0.9600 . ?
C230 H23A 0.9600 . ?
C230 H23B 0.9600 . ?
C230 H23C 0.9600 . ?
