#------------------------------------------------------------------------------
#$Date: 2019-09-11 15:24:46 +0300 (Wed, 11 Sep 2019) $
#$Revision: 218190 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/18/4061827.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_4061827
loop_
_publ_author_name
'Ramaker, Gerhard'
'Saak, Wolfgang'
'Haase, Detlev'
'Weidenbruch, Manfred'
_publ_section_title
;
 Reaction Modes of a Tetragermabutadiene: Cycloadditions versus Ge-Ge Bond
 Cleavages
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5212
_journal_page_last               5216
_journal_paper_doi               10.1021/om034123e
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C60 H92 Ge2'
_chemical_formula_weight         958.52
_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                98.402(5)
_cell_angle_beta                 96.913(5)
_cell_angle_gamma                112.121(5)
_cell_formula_units_Z            2
_cell_length_a                   13.1667(6)
_cell_length_b                   13.5646(7)
_cell_length_c                   18.2962(7)
_cell_measurement_temperature    193(2)
_cell_volume                     2939.3(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.083
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_database_code               4061827
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
Ge1 Ge 0.19190(3) 0.37788(3) 0.25435(3) 0.02576(11) Uani 0.70 1 d P A 1
Ge2 Ge 0.27021(3) 0.56362(3) 0.27187(3) 0.02666(10) Uani 0.70 1 d P A 1
Ge1B Ge 0.17629(9) 0.38772(10) 0.22708(7) 0.0263(3) Uiso 0.30 1 d P A 2
Ge2B Ge 0.29528(8) 0.55046(8) 0.29948(6) 0.0245(3) Uiso 0.30 1 d P A 2
C1 C 0.23735(16) 0.29523(18) 0.17359(14) 0.0298(5) Uani 1 1 d . . .
C2 C 0.16734(15) 0.23876(18) 0.10324(14) 0.0304(5) Uani 1 1 d . A .
C3 C 0.19653(17) 0.16848(19) 0.05546(14) 0.0318(5) Uani 1 1 d . . .
H3 H 0.1490(18) 0.1305(19) 0.0063(15) 0.038 Uiso 1 1 d . . .
C4 C 0.29419(16) 0.15166(19) 0.07476(14) 0.0309(5) Uani 1 1 d . A .
C5 C 0.36386(18) 0.2112(2) 0.14287(14) 0.0369(6) Uani 1 1 d . . .
H5 H 0.4363(19) 0.2024(19) 0.1584(14) 0.044 Uiso 1 1 d . . .
C6 C 0.33887(17) 0.2822(2) 0.19301(14) 0.0346(6) Uani 1 1 d . A .
C7 C 0.05882(17) 0.2520(2) 0.07734(16) 0.0384(6) Uani 1 1 d . . .
H7 H 0.0547(19) 0.308(2) 0.1154(15) 0.046 Uiso 1 1 d . . .
C8 C -0.0438(2) 0.1480(3) 0.0725(2) 0.0540(8) Uani 1 1 d . A .
H8A H -0.047(2) 0.124(2) 0.1186(19) 0.065 Uiso 1 1 d . . .
H8B H -0.044(2) 0.096(3) 0.0312(18) 0.065 Uiso 1 1 d . . .
H8C H -0.114(2) 0.158(2) 0.0594(17) 0.065 Uiso 1 1 d . . .
C9 C 0.0573(3) 0.2910(4) 0.0034(2) 0.0664(10) Uani 1 1 d . A .
H9A H 0.060(3) 0.236(3) -0.040(2) 0.080 Uiso 1 1 d . . .
H9B H -0.005(3) 0.301(3) -0.0112(18) 0.080 Uiso 1 1 d . . .
H9C H 0.120(3) 0.352(3) 0.0025(19) 0.080 Uiso 1 1 d . . .
C10 C 0.32319(19) 0.0714(2) 0.02352(15) 0.0364(6) Uani 1 1 d . . .
H10 H 0.267(2) 0.0415(19) -0.0231(15) 0.044 Uiso 1 1 d . . .
C11 C 0.3197(3) -0.0242(3) 0.0594(2) 0.0547(8) Uani 1 1 d . A .
H11A H 0.377(2) -0.001(2) 0.1028(18) 0.066 Uiso 1 1 d . . .
H11B H 0.332(2) -0.081(2) 0.0264(18) 0.066 Uiso 1 1 d . . .
H11C H 0.246(2) -0.058(2) 0.0758(18) 0.066 Uiso 1 1 d . . .
C12 C 0.4370(2) 0.1265(3) 0.0020(2) 0.0550(8) Uani 1 1 d . A .
H12A H 0.451(2) 0.075(2) -0.0323(18) 0.066 Uiso 1 1 d . . .
H12B H 0.497(2) 0.155(2) 0.0477(18) 0.066 Uiso 1 1 d . . .
H12C H 0.438(2) 0.185(3) -0.0203(18) 0.066 Uiso 1 1 d . . .
C13 C 0.4231(2) 0.3412(3) 0.26588(17) 0.0524(8) Uani 1 1 d . . .
H13 H 0.401(2) 0.389(2) 0.2945(17) 0.063 Uiso 1 1 d . . .
C14 C 0.4322(3) 0.2609(4) 0.3143(2) 0.0690(10) Uani 1 1 d . A .
H14A H 0.466(3) 0.215(3) 0.290(2) 0.083 Uiso 1 1 d . . .
H14B H 0.363(3) 0.210(3) 0.3230(19) 0.083 Uiso 1 1 d . . .
H14C H 0.480(3) 0.303(3) 0.362(2) 0.083 Uiso 1 1 d . . .
C15 C 0.5376(2) 0.4109(3) 0.2517(2) 0.0640(10) Uani 1 1 d . A .
H15A H 0.589(3) 0.450(3) 0.299(2) 0.077 Uiso 1 1 d . . .
H15B H 0.571(2) 0.369(3) 0.2248(19) 0.077 Uiso 1 1 d . . .
H15C H 0.535(3) 0.463(3) 0.218(2) 0.077 Uiso 1 1 d . . .
C16 C 0.03620(15) 0.29317(18) 0.26219(13) 0.0272(5) Uani 1 1 d . . .
C17 C -0.05576(16) 0.32394(18) 0.24930(14) 0.0304(5) Uani 1 1 d . A .
C18 C -0.16044(17) 0.25182(19) 0.25751(15) 0.0354(6) Uani 1 1 d . . .
H18 H -0.2240(19) 0.2713(19) 0.2467(14) 0.042 Uiso 1 1 d . . .
C19 C -0.17849(16) 0.15330(18) 0.27758(14) 0.0331(6) Uani 1 1 d . A .
C20 C -0.08695(17) 0.12645(19) 0.29198(15) 0.0333(6) Uani 1 1 d . . .
H20 H -0.0955(18) 0.061(2) 0.3084(14) 0.040 Uiso 1 1 d . . .
C21 C 0.01981(16) 0.19478(18) 0.28456(13) 0.0289(5) Uani 1 1 d . A .
C22 C -0.04812(18) 0.4301(2) 0.22767(17) 0.0413(7) Uani 1 1 d . . .
H22 H 0.024(2) 0.470(2) 0.2244(15) 0.050 Uiso 1 1 d . . .
C23 C -0.0795(2) 0.4989(2) 0.2873(2) 0.0514(8) Uani 1 1 d . A .
H23A H -0.161(2) 0.462(2) 0.2894(16) 0.062 Uiso 1 1 d . . .
H23B H -0.039(2) 0.510(2) 0.3369(18) 0.062 Uiso 1 1 d . . .
H23C H -0.067(2) 0.570(3) 0.2763(16) 0.062 Uiso 1 1 d . . .
C24 C -0.1191(3) 0.4124(3) 0.1504(2) 0.0593(8) Uani 1 1 d . A .
H24A H -0.112(2) 0.481(3) 0.1369(18) 0.071 Uiso 1 1 d . . .
H24B H -0.201(3) 0.366(2) 0.1503(17) 0.071 Uiso 1 1 d . . .
H24C H -0.101(2) 0.370(3) 0.1107(19) 0.071 Uiso 1 1 d . . .
C25 C -0.29543(18) 0.0754(2) 0.28381(17) 0.0433(7) Uani 1 1 d . . .
H25 H -0.289(2) 0.009(2) 0.2982(15) 0.052 Uiso 1 1 d . . .
C26 C -0.3407(2) 0.1257(3) 0.3451(2) 0.0540(8) Uani 1 1 d . A .
H26A H -0.349(2) 0.191(3) 0.3342(17) 0.065 Uiso 1 1 d . . .
H26B H -0.409(2) 0.073(2) 0.3527(17) 0.065 Uiso 1 1 d . . .
H26C H -0.292(2) 0.148(2) 0.3943(19) 0.065 Uiso 1 1 d . . .
C27 C -0.3764(2) 0.0423(3) 0.2088(2) 0.0690(10) Uani 1 1 d . A .
H27A H -0.445(3) -0.015(3) 0.2118(19) 0.083 Uiso 1 1 d . . .
H27B H -0.387(3) 0.112(3) 0.1947(19) 0.083 Uiso 1 1 d . . .
H27C H -0.350(3) 0.018(3) 0.172(2) 0.083 Uiso 1 1 d . . .
C28 C 0.11601(18) 0.1592(2) 0.30324(16) 0.0379(6) Uani 1 1 d . . .
H28 H 0.183(2) 0.214(2) 0.2936(15) 0.046 Uiso 1 1 d . . .
C29 C 0.1373(3) 0.1543(3) 0.3857(2) 0.0603(9) Uani 1 1 d . A .
H29A H 0.202(3) 0.134(2) 0.3983(17) 0.072 Uiso 1 1 d . . .
H29B H 0.072(3) 0.101(3) 0.4019(18) 0.072 Uiso 1 1 d . . .
H29C H 0.159(2) 0.229(3) 0.4172(19) 0.072 Uiso 1 1 d . . .
C30 C 0.0986(3) 0.0528(3) 0.2522(2) 0.0674(10) Uani 1 1 d . A .
H30A H 0.164(3) 0.036(3) 0.2639(18) 0.081 Uiso 1 1 d . . .
H30B H 0.033(3) -0.008(3) 0.2614(19) 0.081 Uiso 1 1 d . . .
H30C H 0.082(3) 0.048(3) 0.201(2) 0.081 Uiso 1 1 d . . .
C31 C 0.42840(16) 0.63310(18) 0.25795(15) 0.0314(6) Uani 1 1 d . . .
C32 C 0.44501(17) 0.6279(2) 0.18401(15) 0.0381(6) Uani 1 1 d . A .
C33 C 0.55455(18) 0.6804(2) 0.17132(17) 0.0423(7) Uani 1 1 d . . .
H33 H 0.561(2) 0.671(2) 0.1209(17) 0.051 Uiso 1 1 d . . .
C34 C 0.64537(17) 0.7349(2) 0.23002(16) 0.0377(6) Uani 1 1 d . A .
C35 C 0.62666(18) 0.7398(2) 0.30272(17) 0.0381(6) Uani 1 1 d . . .
H35 H 0.691(2) 0.782(2) 0.3479(15) 0.046 Uiso 1 1 d . . .
C36 C 0.51974(16) 0.69014(18) 0.31869(14) 0.0327(6) Uani 1 1 d . A .
C37 C 0.3526(2) 0.5684(3) 0.11394(18) 0.0565(8) Uani 1 1 d . . .
H37 H 0.286(2) 0.529(2) 0.1319(17) 0.068 Uiso 1 1 d . . .
C38 C 0.3789(3) 0.4892(4) 0.0604(2) 0.0810(12) Uani 1 1 d . A .
H38A H 0.443(3) 0.534(3) 0.036(2) 0.097 Uiso 1 1 d . . .
H38B H 0.320(3) 0.447(3) 0.021(2) 0.097 Uiso 1 1 d . . .
H38C H 0.405(3) 0.431(3) 0.087(2) 0.097 Uiso 1 1 d . . .
C39 C 0.3258(3) 0.6495(4) 0.0736(2) 0.0777(12) Uani 1 1 d . A .
H39A H 0.391(3) 0.690(3) 0.047(2) 0.093 Uiso 1 1 d . . .
H39B H 0.321(3) 0.714(3) 0.105(2) 0.093 Uiso 1 1 d . . .
H39C H 0.263(3) 0.613(3) 0.034(2) 0.093 Uiso 1 1 d . . .
C40 C 0.76459(18) 0.7809(3) 0.21557(18) 0.0489(7) Uani 1 1 d . . .
H40 H 0.816(2) 0.842(2) 0.2622(17) 0.059 Uiso 1 1 d . . .
C41 C 0.8044(3) 0.6884(4) 0.2024(3) 0.0979(17) Uani 1 1 d . A .
H41A H 0.800(3) 0.648(3) 0.246(3) 0.118 Uiso 1 1 d . . .
H41B H 0.879(3) 0.720(3) 0.196(2) 0.118 Uiso 1 1 d . . .
H41C H 0.760(3) 0.634(4) 0.155(3) 0.118 Uiso 1 1 d . . .
C42 C 0.7793(2) 0.8412(3) 0.1523(2) 0.0589(9) Uani 1 1 d . A .
H42A H 0.740(2) 0.787(3) 0.1039(19) 0.071 Uiso 1 1 d . . .
H42B H 0.857(3) 0.873(2) 0.1490(17) 0.071 Uiso 1 1 d . . .
H42C H 0.757(2) 0.907(3) 0.1619(18) 0.071 Uiso 1 1 d . . .
C43 C 0.50959(19) 0.6970(2) 0.40083(16) 0.0391(6) Uani 1 1 d . . .
H43 H 0.432(2) 0.658(2) 0.4050(14) 0.047 Uiso 1 1 d . . .
C44 C 0.5450(4) 0.8121(3) 0.4438(3) 0.0834(12) Uani 1 1 d . A .
H44A H 0.535(3) 0.814(3) 0.498(2) 0.100 Uiso 1 1 d . . .
H44B H 0.615(3) 0.855(3) 0.438(2) 0.100 Uiso 1 1 d . . .
H44C H 0.516(3) 0.857(3) 0.416(2) 0.100 Uiso 1 1 d . . .
C45 C 0.5695(3) 0.6367(4) 0.4398(2) 0.0713(10) Uani 1 1 d . A .
H45A H 0.653(3) 0.665(3) 0.4383(19) 0.086 Uiso 1 1 d . . .
H45B H 0.560(3) 0.640(3) 0.496(2) 0.086 Uiso 1 1 d . . .
H45C H 0.547(3) 0.566(3) 0.416(2) 0.086 Uiso 1 1 d . . .
C46 C 0.22442(15) 0.64742(18) 0.34887(13) 0.0280(5) Uani 1 1 d . . .
C47 C 0.20308(16) 0.73201(19) 0.32276(14) 0.0329(6) Uani 1 1 d . A .
C48 C 0.15305(18) 0.7882(2) 0.36561(15) 0.0354(6) Uani 1 1 d . . .
H48 H 0.1395(19) 0.845(2) 0.3486(14) 0.043 Uiso 1 1 d . . .
C49 C 0.12259(16) 0.76287(17) 0.43259(14) 0.0303(5) Uani 1 1 d . A .
C50 C 0.14801(16) 0.68188(17) 0.45861(14) 0.0270(5) Uani 1 1 d . . .
H50 H 0.1312(17) 0.6661(18) 0.5044(14) 0.032 Uiso 1 1 d . . .
C51 C 0.19858(15) 0.62307(16) 0.41832(13) 0.0251(5) Uani 1 1 d . A .
C52 C 0.2338(2) 0.7656(3) 0.25011(17) 0.0477(7) Uani 1 1 d . . .
H52 H 0.264(2) 0.718(2) 0.2282(16) 0.057 Uiso 1 1 d . . .
C53 C 0.3268(3) 0.8793(4) 0.2660(3) 0.0860(15) Uani 1 1 d . A .
H53A H 0.342(3) 0.890(3) 0.222(2) 0.103 Uiso 1 1 d . . .
H53B H 0.392(3) 0.882(3) 0.300(2) 0.103 Uiso 1 1 d . . .
H53C H 0.302(3) 0.938(3) 0.293(2) 0.103 Uiso 1 1 d . . .
C54 C 0.1340(2) 0.7593(3) 0.1947(2) 0.0553(8) Uani 1 1 d . A .
H54A H 0.094(2) 0.807(2) 0.2187(18) 0.066 Uiso 1 1 d . . .
H54B H 0.076(2) 0.688(3) 0.1845(17) 0.066 Uiso 1 1 d . . .
H54C H 0.154(2) 0.777(2) 0.1475(19) 0.066 Uiso 1 1 d . . .
C55 C 0.0618(2) 0.8205(2) 0.47612(16) 0.0370(6) Uani 1 1 d . . .
H55 H 0.0437(19) 0.787(2) 0.5203(15) 0.044 Uiso 1 1 d . . .
C56 C 0.1348(3) 0.9413(2) 0.5060(2) 0.0568(8) Uani 1 1 d . A .
H56A H 0.097(2) 0.979(2) 0.5325(18) 0.068 Uiso 1 1 d . . .
H56B H 0.155(2) 0.976(3) 0.4630(19) 0.068 Uiso 1 1 d . . .
H56C H 0.203(3) 0.953(2) 0.5305(18) 0.068 Uiso 1 1 d . . .
C57 C -0.0486(2) 0.8048(3) 0.4270(2) 0.0528(8) Uani 1 1 d . A .
H57A H -0.033(2) 0.839(2) 0.3824(18) 0.063 Uiso 1 1 d . . .
H57B H -0.096(2) 0.726(3) 0.4060(17) 0.063 Uiso 1 1 d . . .
H57C H -0.091(2) 0.834(2) 0.4567(17) 0.063 Uiso 1 1 d . . .
C58 C 0.22432(18) 0.53858(19) 0.45405(15) 0.0325(6) Uani 1 1 d . . .
H58 H 0.2620(19) 0.5120(19) 0.4253(14) 0.039 Uiso 1 1 d . . .
C59 C 0.1194(2) 0.4452(2) 0.4617(2) 0.0450(7) Uani 1 1 d . A .
H59A H 0.081(2) 0.469(2) 0.4932(17) 0.054 Uiso 1 1 d . . .
H59B H 0.066(2) 0.410(2) 0.4111(17) 0.054 Uiso 1 1 d . . .
H59C H 0.135(2) 0.393(2) 0.4825(16) 0.054 Uiso 1 1 d . . .
C60 C 0.3024(2) 0.5901(3) 0.53093(18) 0.0485(7) Uani 1 1 d . A .
H60A H 0.266(2) 0.618(2) 0.5693(17) 0.058 Uiso 1 1 d . . .
H60B H 0.325(2) 0.536(2) 0.5457(16) 0.058 Uiso 1 1 d . . .
H60C H 0.366(2) 0.651(2) 0.5271(16) 0.058 Uiso 1 1 d . . .
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
Ge1 C16 1.972(2) . ?
Ge1 C1 2.008(2) . ?
Ge1 Ge2 2.2894(6) . ?
Ge2 C46 1.973(2) . ?
Ge2 C31 2.003(2) . ?
Ge1B C1 1.941(2) . ?
Ge1B C16 2.051(2) . ?
Ge1B Ge2B 2.2635(14) . ?
Ge2B C31 1.999(2) . ?
Ge2B C46 2.049(2) . ?
C1 C2 1.410(3) . ?
C1 C6 1.423(3) . ?
C2 C3 1.391(3) . ?
C2 C7 1.534(3) . ?
C3 C4 1.402(3) . ?
C3 H3 0.98(2) . ?
C4 C5 1.385(3) . ?
C4 C10 1.520(3) . ?
C5 C6 1.390(3) . ?
C5 H5 1.02(2) . ?
C6 C13 1.520(3) . ?
C7 C9 1.523(4) . ?
C7 C8 1.524(4) . ?
C7 H7 0.97(3) . ?
C8 H8A 0.95(3) . ?
C8 H8B 0.96(3) . ?
C8 H8C 0.99(3) . ?
C9 H9A 1.02(4) . ?
C9 H9B 0.89(3) . ?
C9 H9C 0.93(3) . ?
C10 C11 1.525(4) . ?
C10 C12 1.532(4) . ?
C10 H10 0.98(2) . ?
C11 H11A 0.95(3) . ?
C11 H11B 0.98(3) . ?
C11 H11C 1.00(3) . ?
C12 H12A 0.95(3) . ?
C12 H12B 1.00(3) . ?
C12 H12C 0.95(3) . ?
C13 C15 1.526(5) . ?
C13 C14 1.531(5) . ?
C13 H13 0.93(3) . ?
C14 H14A 0.98(4) . ?
C14 H14B 0.96(3) . ?
C14 H14C 0.96(4) . ?
C15 H15A 0.97(3) . ?
C15 H15B 0.96(3) . ?
C15 H15C 1.01(3) . ?
C16 C21 1.400(3) . ?
C16 C17 1.427(3) . ?
C17 C18 1.399(3) . ?
C17 C22 1.519(3) . ?
C18 C19 1.379(3) . ?
C18 H18 0.97(2) . ?
C19 C20 1.392(3) . ?
C19 C25 1.534(3) . ?
C20 C21 1.398(3) . ?
C20 H20 0.96(3) . ?
C21 C28 1.535(3) . ?
C22 C23 1.527(4) . ?
C22 C24 1.531(4) . ?
C22 H22 0.91(3) . ?
C23 H23A 1.01(3) . ?
C23 H23B 0.96(3) . ?
C23 H23C 0.97(3) . ?
C24 H24A 0.98(3) . ?
C24 H24B 1.03(3) . ?
C24 H24C 0.97(3) . ?
C25 C26 1.524(4) . ?
C25 C27 1.526(5) . ?
C25 H25 1.01(3) . ?
C26 H26A 0.98(3) . ?
C26 H26B 0.96(3) . ?
C26 H26C 0.98(3) . ?
C27 H27A 0.96(3) . ?
C27 H27B 1.07(3) . ?
C27 H27C 0.88(4) . ?
C28 C29 1.517(4) . ?
C28 C30 1.521(4) . ?
C28 H28 0.97(3) . ?
C29 H29A 1.00(3) . ?
C29 H29B 1.00(3) . ?
C29 H29C 1.00(3) . ?
C30 H30A 0.98(3) . ?
C30 H30B 0.99(3) . ?
C30 H30C 0.93(4) . ?
C31 C32 1.392(4) . ?
C31 C36 1.416(3) . ?
C32 C33 1.413(3) . ?
C32 C37 1.535(4) . ?
C33 C34 1.387(4) . ?
C33 H33 0.93(3) . ?
C34 C35 1.378(4) . ?
C34 C40 1.528(3) . ?
C35 C36 1.401(3) . ?
C35 H35 1.03(3) . ?
C36 C43 1.517(4) . ?
C37 C38 1.512(5) . ?
C37 C39 1.531(5) . ?
C37 H37 0.97(3) . ?
C38 H38A 1.04(4) . ?
C38 H38B 0.93(4) . ?
C38 H38C 1.12(4) . ?
C39 H39A 1.05(4) . ?
C39 H39B 1.00(4) . ?
C39 H39C 0.94(4) . ?
C40 C42 1.503(4) . ?
C40 C41 1.531(5) . ?
C40 H40 1.05(3) . ?
C41 H41A 1.04(4) . ?
C41 H41B 0.95(4) . ?
C41 H41C 1.00(4) . ?
C42 H42A 1.00(3) . ?
C42 H42B 0.96(3) . ?
C42 H42C 1.04(3) . ?
C43 C44 1.509(4) . ?
C43 C45 1.524(4) . ?
C43 H43 0.97(2) . ?
C44 H44A 1.01(4) . ?
C44 H44B 0.91(4) . ?
C44 H44C 1.00(4) . ?
C45 H45A 1.03(3) . ?
C45 H45B 1.04(4) . ?
C45 H45C 0.91(4) . ?
C46 C51 1.408(3) . ?
C46 C47 1.412(3) . ?
C47 C48 1.399(3) . ?
C47 C52 1.519(4) . ?
C48 C49 1.385(3) . ?
C48 H48 0.94(3) . ?
C49 C50 1.392(3) . ?
C49 C55 1.527(3) . ?
C50 C51 1.404(3) . ?
C50 H50 0.93(2) . ?
C51 C58 1.521(3) . ?
C52 C53 1.524(5) . ?
C52 C54 1.528(4) . ?
C52 H52 0.94(3) . ?
C53 H53A 0.88(4) . ?
C53 H53B 0.99(4) . ?
C53 H53C 1.06(4) . ?
C54 H54A 1.06(3) . ?
C54 H54B 0.95(3) . ?
C54 H54C 0.97(3) . ?
C55 C56 1.527(4) . ?
C55 C57 1.537(4) . ?
C55 H55 0.99(3) . ?
C56 H56A 0.96(3) . ?
C56 H56B 0.99(3) . ?
C56 H56C 0.90(3) . ?
C57 H57A 1.00(3) . ?
C57 H57B 1.00(3) . ?
C57 H57C 0.97(3) . ?
C58 C59 1.521(4) . ?
C58 C60 1.532(4) . ?
C58 H58 0.89(2) . ?
C59 H59A 0.91(3) . ?
C59 H59B 1.02(3) . ?
C59 H59C 0.93(3) . ?
C60 H60A 1.00(3) . ?
C60 H60B 0.95(3) . ?
C60 H60C 0.95(3) . ?
