#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:36:57 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178524 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/28/4062844.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_4062844
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049716j
_journal_year                    2004
_chemical_formula_sum            'C58 H98 Cl4 N4 P4 Ru2'
_chemical_formula_weight         1319.22
_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                 96.35(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.498(3)
_cell_length_b                   21.564(4)
_cell_length_c                   23.683(5)
_cell_measurement_temperature    120(2)
_cell_volume                     6344(2)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.381
_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_database_code               4062844
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
Ru1 Ru 0.38658(2) 0.899334(15) 0.358360(13) 0.01352(10) Uani 1 1 d . . .
Cl1 Cl 0.51084(8) 0.87320(5) 0.44064(4) 0.0192(2) Uani 1 1 d . . .
Cl2 Cl 0.26381(8) 0.92561(5) 0.27630(4) 0.0202(2) Uani 1 1 d . . .
P1 P 0.53028(8) 0.89240(5) 0.29697(4) 0.0157(2) Uani 1 1 d . . .
P2 P 0.26376(8) 0.94177(5) 0.42024(4) 0.0148(2) Uani 1 1 d . . .
N1 N 0.4409(2) 0.99004(15) 0.36283(13) 0.0142(8) Uani 1 1 d . . .
N2 N 0.3330(2) 0.81359(17) 0.35592(13) 0.0152(8) Uani 1 1 d . . .
C1 C 0.4246(3) 1.02525(18) 0.40858(16) 0.0150(9) Uani 1 1 d . . .
C3 C 0.5064(3) 1.11317(19) 0.36768(17) 0.0217(10) Uani 1 1 d . . .
H3 H 0.5277 1.1545 0.3692 0.026 Uiso 1 1 calc R . .
C4 C 0.5209(3) 1.07700(19) 0.32112(17) 0.0197(10) Uani 1 1 d . . .
H4 H 0.5514 1.0941 0.2906 0.024 Uiso 1 1 calc R . .
C2 C 0.4594(3) 1.08665(19) 0.41200(17) 0.0179(10) Uani 1 1 d . . .
H2 H 0.4510 1.1099 0.4443 0.021 Uiso 1 1 calc R . .
C5 C 0.4901(3) 1.01525(19) 0.31979(16) 0.0155(9) Uani 1 1 d . . .
C6 C 0.6769(3) 0.89231(19) 0.32770(17) 0.0181(10) Uani 1 1 d . . .
C7 C 0.7566(3) 0.9039(2) 0.28359(18) 0.0239(10) Uani 1 1 d . . .
H7A H 0.8276 0.9099 0.3028 0.036 Uiso 1 1 calc R . .
H7B H 0.7352 0.9403 0.2618 0.036 Uiso 1 1 calc R . .
H7C H 0.7567 0.8688 0.2587 0.036 Uiso 1 1 calc R . .
C8 C 0.6956(3) 0.94535(19) 0.37092(17) 0.0206(10) Uani 1 1 d . . .
H8A H 0.7677 0.9430 0.3896 0.031 Uiso 1 1 calc R . .
H8B H 0.6453 0.9418 0.3986 0.031 Uiso 1 1 calc R . .
H8C H 0.6855 0.9844 0.3516 0.031 Uiso 1 1 calc R . .
C9 C 0.7072(3) 0.8305(2) 0.35925(19) 0.0266(11) Uani 1 1 d . . .
H9A H 0.7039 0.7971 0.3323 0.040 Uiso 1 1 calc R . .
H9B H 0.6576 0.8227 0.3866 0.040 Uiso 1 1 calc R . .
H9C H 0.7789 0.8335 0.3783 0.040 Uiso 1 1 calc R . .
C10 C 0.5193(3) 0.8446(2) 0.22859(18) 0.0227(10) Uani 1 1 d . . .
C11 C 0.5663(4) 0.8786(2) 0.17931(18) 0.0308(12) Uani 1 1 d . . .
H11A H 0.6412 0.8872 0.1900 0.046 Uiso 1 1 calc R . .
H11B H 0.5282 0.9168 0.1713 0.046 Uiso 1 1 calc R . .
H11C H 0.5588 0.8529 0.1460 0.046 Uiso 1 1 calc R . .
C12 C 0.4013(3) 0.8319(2) 0.20885(18) 0.0278(11) Uani 1 1 d . . .
H12A H 0.3961 0.8048 0.1765 0.042 Uiso 1 1 calc R . .
H12B H 0.3653 0.8702 0.1986 0.042 Uiso 1 1 calc R . .
H12C H 0.3682 0.8125 0.2390 0.042 Uiso 1 1 calc R . .
C13 C 0.5750(4) 0.7816(2) 0.23915(19) 0.0297(11) Uani 1 1 d . . .
H13A H 0.5498 0.7622 0.2717 0.045 Uiso 1 1 calc R . .
H13B H 0.6514 0.7875 0.2459 0.045 Uiso 1 1 calc R . .
H13C H 0.5585 0.7556 0.2065 0.045 Uiso 1 1 calc R . .
C14 C 0.5112(3) 0.97325(18) 0.27176(17) 0.0182(10) Uani 1 1 d . . .
H14A H 0.5751 0.9871 0.2556 0.022 Uiso 1 1 calc R . .
H14B H 0.4509 0.9751 0.2422 0.022 Uiso 1 1 calc R . .
C15 C 0.2166(3) 0.89734(19) 0.48260(17) 0.0189(10) Uani 1 1 d . . .
C16 C 0.2239(3) 0.93742(19) 0.53655(16) 0.0222(10) Uani 1 1 d . . .
H16A H 0.1794 0.9735 0.5296 0.033 Uiso 1 1 calc R . .
H16B H 0.2972 0.9500 0.5467 0.033 Uiso 1 1 calc R . .
H16C H 0.1996 0.9138 0.5671 0.033 Uiso 1 1 calc R . .
C17 C 0.1021(3) 0.8720(2) 0.46931(18) 0.0259(11) Uani 1 1 d . . .
H17A H 0.0975 0.8481 0.4349 0.039 Uiso 1 1 calc R . .
H17B H 0.0521 0.9058 0.4646 0.039 Uiso 1 1 calc R . .
H17C H 0.0850 0.8461 0.5000 0.039 Uiso 1 1 calc R . .
C18 C 0.2892(3) 0.84086(19) 0.49600(18) 0.0228(10) Uani 1 1 d . . .
H18A H 0.2687 0.8201 0.5290 0.034 Uiso 1 1 calc R . .
H18B H 0.3628 0.8541 0.5031 0.034 Uiso 1 1 calc R . .
H18C H 0.2818 0.8129 0.4643 0.034 Uiso 1 1 calc R . .
C19 C 0.1498(3) 0.99586(19) 0.39205(17) 0.0193(10) Uani 1 1 d . . .
C20 C 0.0994(3) 1.0308(2) 0.43905(18) 0.0262(11) Uani 1 1 d . . .
H20A H 0.0527 1.0628 0.4224 0.039 Uiso 1 1 calc R . .
H20B H 0.1554 1.0491 0.4648 0.039 Uiso 1 1 calc R . .
H20C H 0.0587 1.0024 0.4594 0.039 Uiso 1 1 calc R . .
C21 C 0.0605(3) 0.9603(2) 0.35504(18) 0.0253(11) Uani 1 1 d . . .
H21A H 0.0291 0.9300 0.3779 0.038 Uiso 1 1 calc R . .
H21B H 0.0909 0.9400 0.3245 0.038 Uiso 1 1 calc R . .
H21C H 0.0060 0.9890 0.3397 0.038 Uiso 1 1 calc R . .
C22 C 0.1954(3) 1.04611(19) 0.35459(18) 0.0241(10) Uani 1 1 d . . .
H22A H 0.1370 1.0680 0.3337 0.036 Uiso 1 1 calc R . .
H22B H 0.2387 1.0268 0.3285 0.036 Uiso 1 1 calc R . .
H22C H 0.2387 1.0747 0.3783 0.036 Uiso 1 1 calc R . .
C23 C 0.3646(3) 0.99682(18) 0.45377(16) 0.0168(9) Uani 1 1 d . . .
H23A H 0.3291 1.0290 0.4734 0.020 Uiso 1 1 calc R . .
H23B H 0.4145 0.9753 0.4814 0.020 Uiso 1 1 calc R . .
Ru2 Ru 0.24556(3) 0.679903(15) 0.354691(14) 0.01569(10) Uani 1 1 d . . .
Cl3 Cl 0.39149(8) 0.65024(5) 0.30090(4) 0.0231(3) Uani 1 1 d . . .
Cl4 Cl 0.10183(8) 0.70638(5) 0.41028(4) 0.0232(3) Uani 1 1 d . . .
P3 P 0.11955(8) 0.69037(5) 0.27087(4) 0.0177(3) Uani 1 1 d . . .
P4 P 0.34658(9) 0.63739(5) 0.43953(5) 0.0207(3) Uani 1 1 d . . .
N3 N 0.2996(3) 0.76550(17) 0.35653(13) 0.0148(8) Uani 1 1 d . . .
N4 N 0.1913(3) 0.58953(15) 0.34912(14) 0.0204(8) Uani 1 1 d . . .
C24 C 0.0942(3) 0.5756(2) 0.31978(17) 0.0215(10) Uani 1 1 d . . .
C25 C 0.0580(4) 0.5151(2) 0.31444(18) 0.0276(11) Uani 1 1 d . . .
H25 H -0.0087 0.5066 0.2945 0.033 Uiso 1 1 calc R . .
C26 C 0.1203(4) 0.4674(2) 0.3385(2) 0.0356(12) Uani 1 1 d . . .
H26 H 0.0965 0.4265 0.3349 0.043 Uiso 1 1 calc R . .
C27 C 0.2191(4) 0.4813(2) 0.3684(2) 0.0344(12) Uani 1 1 d . . .
H27 H 0.2626 0.4498 0.3850 0.041 Uiso 1 1 calc R . .
C28 C 0.2525(3) 0.5421(2) 0.37312(18) 0.0248(11) Uani 1 1 d . . .
C29 C 0.2780(4) 0.6169(2) 0.50572(18) 0.0257(11) Uani 1 1 d . . .
C30 C 0.3487(4) 0.5769(2) 0.54844(19) 0.0381(13) Uani 1 1 d . . .
H30A H 0.4110 0.6002 0.5633 0.057 Uiso 1 1 calc R . .
H30B H 0.3710 0.5404 0.5298 0.057 Uiso 1 1 calc R . .
H30C H 0.3084 0.5652 0.5790 0.057 Uiso 1 1 calc R . .
C31 C 0.1751(4) 0.5787(2) 0.4877(2) 0.0331(12) Uani 1 1 d . . .
H31A H 0.1949 0.5383 0.4753 0.050 Uiso 1 1 calc R . .
H31B H 0.1326 0.5995 0.4572 0.050 Uiso 1 1 calc R . .
H31C H 0.1341 0.5746 0.5195 0.050 Uiso 1 1 calc R . .
C32 C 0.2447(4) 0.6756(2) 0.53632(18) 0.0308(12) Uani 1 1 d . . .
H32A H 0.2037 0.6641 0.5666 0.046 Uiso 1 1 calc R . .
H32B H 0.2018 0.7016 0.5098 0.046 Uiso 1 1 calc R . .
H32C H 0.3080 0.6978 0.5516 0.046 Uiso 1 1 calc R . .
C33 C 0.4907(3) 0.6616(2) 0.46402(19) 0.0261(11) Uani 1 1 d . . .
C34 C 0.5655(4) 0.6059(2) 0.4800(2) 0.0407(13) Uani 1 1 d . . .
H34A H 0.5673 0.5794 0.4476 0.061 Uiso 1 1 calc R . .
H34B H 0.5389 0.5830 0.5103 0.061 Uiso 1 1 calc R . .
H34C H 0.6368 0.6206 0.4922 0.061 Uiso 1 1 calc R . .
C35 C 0.5374(3) 0.6964(2) 0.41595(19) 0.0314(12) Uani 1 1 d . . .
H35A H 0.6111 0.7070 0.4277 0.047 Uiso 1 1 calc R . .
H35B H 0.4966 0.7335 0.4072 0.047 Uiso 1 1 calc R . .
H35C H 0.5336 0.6704 0.3828 0.047 Uiso 1 1 calc R . .
C36 C 0.4935(4) 0.7069(2) 0.51403(19) 0.0326(12) Uani 1 1 d . . .
H36A H 0.5649 0.7233 0.5223 0.049 Uiso 1 1 calc R . .
H36B H 0.4734 0.6855 0.5468 0.049 Uiso 1 1 calc R . .
H36C H 0.4439 0.7402 0.5043 0.049 Uiso 1 1 calc R . .
C37 C 0.3583(3) 0.55969(19) 0.40695(19) 0.0263(11) Uani 1 1 d . . .
H37A H 0.4151 0.5602 0.3822 0.032 Uiso 1 1 calc R . .
H37B H 0.3769 0.5291 0.4365 0.032 Uiso 1 1 calc R . .
C38 C 0.1525(3) 0.66105(19) 0.19901(18) 0.0203(10) Uani 1 1 d . . .
C39 C 0.2453(3) 0.69813(19) 0.17795(18) 0.0225(10) Uani 1 1 d . . .
H39A H 0.2648 0.6799 0.1435 0.034 Uiso 1 1 calc R . .
H39B H 0.3063 0.6974 0.2064 0.034 Uiso 1 1 calc R . .
H39C H 0.2229 0.7402 0.1708 0.034 Uiso 1 1 calc R . .
C40 C 0.0570(3) 0.6617(2) 0.15277(17) 0.0256(11) Uani 1 1 d . . .
H40A H 0.0769 0.6415 0.1194 0.038 Uiso 1 1 calc R . .
H40B H 0.0367 0.7038 0.1438 0.038 Uiso 1 1 calc R . .
H40C H -0.0027 0.6403 0.1661 0.038 Uiso 1 1 calc R . .
C41 C 0.1890(3) 0.59270(19) 0.20670(18) 0.0256(11) Uani 1 1 d . . .
H41A H 0.1278 0.5671 0.2114 0.038 Uiso 1 1 calc R . .
H41B H 0.2406 0.5892 0.2397 0.038 Uiso 1 1 calc R . .
H41C H 0.2213 0.5794 0.1738 0.038 Uiso 1 1 calc R . .
C42 C 0.0291(3) 0.7613(2) 0.25651(18) 0.0237(10) Uani 1 1 d . . .
C43 C 0.0244(4) 0.7989(2) 0.31153(18) 0.0316(12) Uani 1 1 d . . .
H43A H 0.0963 0.8078 0.3283 0.047 Uiso 1 1 calc R . .
H43B H -0.0124 0.7752 0.3378 0.047 Uiso 1 1 calc R . .
H43C H -0.0135 0.8370 0.3029 0.047 Uiso 1 1 calc R . .
C44 C 0.0745(3) 0.8049(2) 0.21430(19) 0.0292(11) Uani 1 1 d . . .
H44A H 0.0337 0.8427 0.2116 0.044 Uiso 1 1 calc R . .
H44B H 0.0699 0.7855 0.1777 0.044 Uiso 1 1 calc R . .
H44C H 0.1484 0.8140 0.2271 0.044 Uiso 1 1 calc R . .
C45 C -0.0879(3) 0.7428(2) 0.23553(19) 0.0304(12) Uani 1 1 d . . .
H45A H -0.1310 0.7795 0.2291 0.046 Uiso 1 1 calc R . .
H45B H -0.1163 0.7175 0.2637 0.046 Uiso 1 1 calc R . .
H45C H -0.0890 0.7198 0.2007 0.046 Uiso 1 1 calc R . .
C46 C 0.0302(3) 0.6289(2) 0.29315(18) 0.0238(10) Uani 1 1 d . . .
H46A H -0.0149 0.6459 0.3202 0.029 Uiso 1 1 calc R . .
H46B H -0.0164 0.6143 0.2604 0.029 Uiso 1 1 calc R . .
C101 C 0.1886(5) 1.2932(3) 0.4045(2) 0.0568(16) Uani 1 1 d . . .
H101 H 0.2058 1.3190 0.3754 0.068 Uiso 1 1 calc R . .
C102 C 0.2438(5) 1.2409(4) 0.4159(3) 0.0612(18) Uani 1 1 d . . .
H102 H 0.2987 1.2305 0.3941 0.073 Uiso 1 1 calc R . .
C103 C 0.2218(5) 1.2027(3) 0.4584(3) 0.070(2) Uani 1 1 d . . .
H103 H 0.2614 1.1666 0.4659 0.084 Uiso 1 1 calc R . .
C104 C 0.1391(5) 1.2181(3) 0.4907(2) 0.0573(17) Uani 1 1 d . . .
H104 H 0.1228 1.1925 0.5203 0.069 Uiso 1 1 calc R . .
C105 C 0.0814(4) 1.2724(3) 0.4780(2) 0.0530(16) Uani 1 1 d . . .
H105 H 0.0253 1.2833 0.4989 0.064 Uiso 1 1 calc R . .
C106 C 0.1067(5) 1.3091(3) 0.4355(3) 0.0557(16) Uani 1 1 d . . .
H106 H 0.0684 1.3455 0.4272 0.067 Uiso 1 1 calc R . .
C201 C -0.1491(4) 0.6084(2) 0.4080(2) 0.0384(13) Uani 1 1 d . . .
H201 H -0.1067 0.6182 0.4416 0.046 Uiso 1 1 calc R . .
C202 C -0.1586(4) 0.5482(3) 0.3903(2) 0.0475(14) Uani 1 1 d . . .
H202 H -0.1221 0.5170 0.4116 0.057 Uiso 1 1 calc R . .
C203 C -0.2222(5) 0.5335(2) 0.3409(2) 0.0465(14) Uani 1 1 d . . .
H203 H -0.2286 0.4924 0.3291 0.056 Uiso 1 1 calc R . .
C204 C -0.2758(4) 0.5790(3) 0.3091(2) 0.0446(14) Uani 1 1 d . . .
H204 H -0.3181 0.5691 0.2755 0.053 Uiso 1 1 calc R . .
C205 C -0.2665(4) 0.6399(3) 0.3274(2) 0.0467(14) Uani 1 1 d . . .
H205 H -0.3041 0.6709 0.3064 0.056 Uiso 1 1 calc R . .
C206 C -0.2024(4) 0.6546(3) 0.3760(2) 0.0457(14) Uani 1 1 d . . .
H206 H -0.1947 0.6958 0.3875 0.055 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
Ru1 N2 1.965(4) . ?
Ru1 N1 2.069(3) . ?
Ru1 Cl2 2.4068(13) . ?
Ru1 P2 2.4164(12) . ?
Ru1 Cl1 2.4202(13) . ?
Ru1 P1 2.4370(12) . ?
P1 C14 1.850(4) . ?
P1 C6 1.895(4) . ?
P1 C10 1.911(4) . ?
P2 C23 1.846(4) . ?
P2 C19 1.904(4) . ?
P2 C15 1.908(4) . ?
N1 C1 1.357(5) . ?
N1 C5 1.360(5) . ?
N2 N3 1.119(4) . ?
C1 C2 1.393(5) . ?
C1 C23 1.504(5) . ?
C3 C4 1.379(6) . ?
C3 C2 1.382(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(6) . ?
C4 H4 0.9300 . ?
C2 H2 0.9300 . ?
C5 C14 1.500(5) . ?
C6 C8 1.536(5) . ?
C6 C7 1.542(5) . ?
C6 C9 1.554(6) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C12 1.522(6) . ?
C10 C13 1.534(6) . ?
C10 C11 1.548(6) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C17 1.531(6) . ?
C15 C18 1.531(6) . ?
C15 C16 1.537(5) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.536(5) . ?
C19 C21 1.544(6) . ?
C19 C22 1.549(6) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
Ru2 N3 1.964(4) . ?
Ru2 N4 2.063(3) . ?
Ru2 P3 2.4042(14) . ?
Ru2 Cl4 2.4102(12) . ?
Ru2 Cl3 2.4233(12) . ?
Ru2 P4 2.4310(13) . ?
P3 C46 1.847(4) . ?
P3 C38 1.903(4) . ?
P3 C42 1.910(4) . ?
P4 C37 1.857(4) . ?
P4 C33 1.903(4) . ?
P4 C29 1.920(4) . ?
N4 C24 1.363(5) . ?
N4 C28 1.363(5) . ?
C24 C25 1.384(6) . ?
C24 C46 1.499(6) . ?
C25 C26 1.375(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.387(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.377(6) . ?
C27 H27 0.9300 . ?
C28 C37 1.516(6) . ?
C29 C30 1.532(6) . ?
C29 C32 1.539(6) . ?
C29 C31 1.546(6) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C36 1.533(6) . ?
C33 C35 1.532(6) . ?
C33 C34 1.543(6) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C40 1.528(6) . ?
C38 C39 1.537(5) . ?
C38 C41 1.548(6) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 C44 1.527(6) . ?
C42 C43 1.541(6) . ?
C42 C45 1.544(6) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C101 C102 1.334(9) . ?
C101 C106 1.367(8) . ?
C101 H101 0.9300 . ?
C102 C103 1.352(9) . ?
C102 H102 0.9300 . ?
C103 C104 1.394(8) . ?
C103 H103 0.9300 . ?
C104 C105 1.390(8) . ?
C104 H104 0.9300 . ?
C105 C106 1.346(8) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C201 C202 1.367(7) . ?
C201 C206 1.378(7) . ?
C201 H201 0.9300 . ?
C202 C203 1.376(7) . ?
C202 H202 0.9300 . ?
C203 C204 1.366(7) . ?
C203 H203 0.9300 . ?
C204 C205 1.383(7) . ?
C204 H204 0.9300 . ?
C205 C206 1.367(7) . ?
C205 H205 0.9300 . ?
C206 H206 0.9300 . ?
