#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:34:44 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178521 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/25/4062505.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_4062505
loop_
_publ_author_name
'Holliday, Bradley J.'
'Ulmann, Pirmin A.'
'Mirkin, Chad A.'
'Stern, Charlotte L.'
'Zakharov, Lev N.'
'Rheingold, Arnold L.'
_publ_section_title
;
 A Systematic Study of the Role of Ligand Structure in the Formation
 of Homobinuclear Rhodium Macrocycles Formed via the Weak-Link
 Approach
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om030611a
_journal_year                    2004
_chemical_formula_moiety
'C70 H68 O4 P4 Rh2, 2(B F4), 0.5(C H2 Cl2), 0.5(C5 H12)'
_chemical_formula_sum            'C73 H68 B2 Cl F8 O4 P4 Rh2'
_chemical_formula_weight         1548.04
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 129.141(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.571(4)
_cell_length_b                   26.920(5)
_cell_length_c                   16.234(3)
_cell_measurement_temperature    153(2)
_cell_volume                     7989(3)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.287
_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      'C c'
_cod_database_code               4062505
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.60726(5) 0.73159(3) 0.46648(6) 0.0534(2) Uani 1 d . . .
Rh2 Rh 0.8326 0.57843(2) 0.9608 0.04569(17) Uani 1 d . . .
Cl1 Cl 0.2645(10) 0.5967(7) 0.3317(16) 0.213(6) Uiso 0.50 d P . .
Cl2 Cl 0.3078(6) 0.6737(4) 0.4912(8) 0.124(3) Uiso 0.50 d P . .
P1 P 0.81980(13) 0.55029(9) 1.07726(16) 0.0480(5) Uani 1 d . . .
P2 P 0.85618(12) 0.65775(9) 1.01925(15) 0.0473(5) Uani 1 d . . .
P3 P 0.68975(12) 0.69533(8) 0.45963(16) 0.0439(5) Uani 1 d . . .
P4 P 0.51205(13) 0.71613(10) 0.29662(18) 0.0570(6) Uani 1 d . . .
F1 F 0.5616 0.8883 0.1829 0.215(6) Uiso 1 d . . .
F2 F 0.4536 0.8789 0.1449 0.168(4) Uiso 1 d . . .
F3 F 0.5117 0.9513 0.2054 0.261(9) Uiso 1 d . . .
F4 F 0.5545 0.8859 0.3129 0.45(2) Uiso 1 d . . .
F5 F 0.0400(9) 0.9405(6) 0.1500(13) 0.184(5) Uiso 1 d . . .
F6 F 0.0882(4) 0.9008(3) 0.0901(6) 0.095(2) Uiso 1 d . . .
F7 F -0.0062(6) 0.8635(4) 0.0642(9) 0.139(3) Uiso 1 d . . .
F8 F 0.0950(4) 0.8704(3) 0.2275(6) 0.0898(19) Uiso 1 d . . .
O1 O 0.8442(6) 0.4560(3) 0.9618(7) 0.093(3) Uani 1 d . . .
O2 O 0.7480(3) 0.7341(2) 0.7396(4) 0.0526(14) Uani 1 d . . .
O3 O 0.4756(6) 0.8056(4) 0.4051(7) 0.119(4) Uani 1 d . . .
O4 O 0.8159(3) 0.6235(2) 0.7457(4) 0.0508(14) Uani 1 d . . .
C1 C 0.8886(5) 0.5643(5) 0.8803(7) 0.073(3) Uani 1 d . . .
C2 C 0.8932(7) 0.5208(6) 0.9308(9) 0.089(4) Uani 1 d . . .
C3 C 0.8365(8) 0.4998(4) 0.9155(8) 0.079(3) Uani 1 d . . .
C4 C 0.7643(6) 0.5195(3) 0.8358(7) 0.059(2) Uani 1 d . . .
C5 C 0.7553(5) 0.5616(3) 0.7770(6) 0.0455(18) Uani 1 d . . .
C6 C 0.8188(5) 0.5827(3) 0.8001(6) 0.0441(19) Uani 1 d . . .
C7 C 0.9514(8) 0.5803(6) 0.8973(10) 0.096(4) Uani 1 d . . .
C8 C 0.8698(6) 0.5762(4) 1.2095(6) 0.063(3) Uani 1 d . . .
C9 C 0.9429(7) 0.5682(6) 1.2804(8) 0.087(4) Uani 1 d . . .
C10 C 0.9838(9) 0.5881(7) 1.3861(10) 0.115(6) Uani 1 d . . .
C11 C 0.9494(12) 0.6109(7) 1.4174(9) 0.137(9) Uani 1 d . . .
C12 C 0.8746(13) 0.6180(6) 1.3468(11) 0.137(8) Uani 1 d . . .
C13 C 0.8319(8) 0.6009(4) 1.2385(8) 0.079(3) Uani 1 d . . .
C14 C 0.7263(5) 0.5436(3) 1.0276(6) 0.0439(17) Uani 1 d . . .
C15 C 0.7103(6) 0.5183(3) 1.0868(7) 0.056(2) Uani 1 d . . .
C16 C 0.6391(5) 0.5122(4) 1.0475(8) 0.057(2) Uani 1 d . . .
C17 C 0.5832(5) 0.5331(4) 0.9497(8) 0.065(2) Uani 1 d . . .
C18 C 0.5960(6) 0.5577(4) 0.8895(8) 0.062(2) Uani 1 d . . .
C19 C 0.6685(5) 0.5629(3) 0.9289(7) 0.052(2) Uani 1 d . . .
C20 C 0.8514(6) 0.4866(4) 1.1101(8) 0.066(3) Uani 1 d . . .
C21 C 0.8136(8) 0.4512(4) 1.0158(9) 0.075(3) Uani 1 d . . .
C22 C 0.9530(5) 0.6732(4) 1.1231(7) 0.059(2) Uani 1 d . . .
C23 C 0.9750(6) 0.7246(5) 1.1581(7) 0.075(3) Uani 1 d . . .
C24 C 1.0487(7) 0.7346(6) 1.2403(9) 0.087(4) Uani 1 d . . .
C25 C 1.0979(8) 0.6964(7) 1.2872(12) 0.108(5) Uani 1 d . . .
C26 C 1.0788(7) 0.6481(9) 1.2500(13) 0.122(6) Uani 1 d . . .
C27 C 1.0042(7) 0.6378(6) 1.1692(9) 0.085(4) Uani 1 d . . .
C28 C 0.8085(5) 0.6841(3) 1.0634(6) 0.0481(19) Uani 1 d . . .
C29 C 0.8433(6) 0.7081(5) 1.1608(7) 0.072(3) Uani 1 d . . .
C30 C 0.8005(9) 0.7284(5) 1.1860(10) 0.086(4) Uani 1 d . . .
C31 C 0.7267(9) 0.7234(5) 1.1206(12) 0.092(4) Uani 1 d . . .
C32 C 0.6905(6) 0.6976(4) 1.0223(8) 0.069(3) Uani 1 d . . .
C33 C 0.7305(5) 0.6797(3) 0.9952(7) 0.054(2) Uani 1 d . . .
C34 C 0.8342(5) 0.7016(4) 0.9163(6) 0.053(2) Uani 1 d . . .
C35 C 0.7540(5) 0.7042(3) 0.8201(6) 0.0486(19) Uani 1 d . . .
C36 C 0.6797(5) 0.7486(4) 0.6554(7) 0.059(2) Uani 1 d . . .
C37 C 0.6754(6) 0.7915(4) 0.6027(7) 0.057(2) Uani 1 d . . .
C38 C 0.6107(8) 0.8130(4) 0.5226(9) 0.077(3) Uani 1 d . . .
C39 C 0.5458(9) 0.7879(6) 0.4867(9) 0.099(5) Uani 1 d . . .
C40 C 0.5486(7) 0.7417(5) 0.5364(8) 0.081(3) Uani 1 d . . .
C41 C 0.6165(6) 0.7225(5) 0.6220(7) 0.067(3) Uani 1 d . . .
C42 C 0.7415(11) 0.8193(6) 0.6376(13) 0.117(6) Uani 1 d . . .
C43 C 0.7379(5) 0.7390(3) 0.4348(6) 0.049(2) Uani 1 d . . .
C44 C 0.8035(5) 0.7245(3) 0.4553(6) 0.0478(19) Uani 1 d . . .
C45 C 0.8389(5) 0.7583(4) 0.4350(6) 0.056(2) Uani 1 d . . .
C46 C 0.8087(6) 0.8047(4) 0.3956(6) 0.061(2) Uani 1 d . . .
C47 C 0.7435(6) 0.8165(4) 0.3737(7) 0.062(2) Uani 1 d . . .
C48 C 0.7114(5) 0.7848(3) 0.3975(6) 0.0506(19) Uani 1 d . . .
C49 C 0.6626(4) 0.6427(3) 0.3697(6) 0.0449(17) Uani 1 d . . .
C50 C 0.6224(5) 0.6053(4) 0.3691(7) 0.054(2) Uani 1 d . . .
C51 C 0.5982(6) 0.5647(4) 0.3008(8) 0.067(3) Uani 1 d . . .
C52 C 0.6139(5) 0.5637(4) 0.2323(8) 0.067(3) Uani 1 d . . .
C53 C 0.6519(5) 0.5997(4) 0.2288(7) 0.060(2) Uani 1 d . . .
C54 C 0.6778(5) 0.6405(3) 0.2990(6) 0.052(2) Uani 1 d . . .
C55 C 0.5224(5) 0.7194(4) 0.1948(7) 0.054(2) Uani 1 d . . .
C56 C 0.5126(5) 0.6798(4) 0.1321(8) 0.063(3) Uani 1 d . . .
C57 C 0.5191(7) 0.6850(5) 0.0546(8) 0.081(4) Uani 1 d . . .
C58 C 0.5331(6) 0.7310(4) 0.0338(8) 0.070(3) Uani 1 d . . .
C59 C 0.5445(6) 0.7718(4) 0.0958(8) 0.066(3) Uani 1 d . . .
C60 C 0.5378(6) 0.7662(4) 0.1722(8) 0.062(2) Uani 1 d . . .
C61 C 0.4586(6) 0.6612(4) 0.2673(8) 0.069(3) Uani 1 d . . .
C62 C 0.3970(6) 0.6483(6) 0.1628(8) 0.093(4) Uani 1 d . . .
C63 C 0.3559(8) 0.6057(7) 0.1410(10) 0.105(5) Uani 1 d . . .
C64 C 0.3720(8) 0.5759(6) 0.2215(11) 0.092(4) Uani 1 d . . .
C65 C 0.4333(8) 0.5889(5) 0.3282(10) 0.087(4) Uani 1 d . . .
C66 C 0.4760(5) 0.6296(5) 0.3489(7) 0.069(3) Uani 1 d . . .
C67 C 0.4416(6) 0.7635(4) 0.2516(8) 0.069(3) Uani 1 d . . .
C68 C 0.443(2) 0.788(2) 0.3115(15) 0.55(6) Uani 1 d . . .
C69 C 0.7670(4) 0.6715(3) 0.5899(5) 0.0446(17) Uani 1 d . . .
C70 C 0.7471(4) 0.6316(3) 0.6355(5) 0.0402(16) Uani 1 d . . .
C71 C 0.3025(19) 0.6595(13) 0.391(3) 0.112(9) Uiso 0.50 d P . .
C72 C 0.4020(17) 0.4494(11) 0.455(3) 0.103(9) Uiso 0.50 d P . .
C73 C 0.3791(19) 0.4455(12) 0.362(3) 0.110(9) Uiso 0.50 d P . .
C74 C 0.4112(13) 0.3989(9) 0.3511(19) 0.076(6) Uiso 0.50 d P . .
C75 C 0.4098(18) 0.3886(12) 0.259(3) 0.106(9) Uiso 0.50 d P . .
C76 C 0.4416(18) 0.3390(12) 0.264(3) 0.107(9) Uiso 0.50 d P . .
B1 B 0.5203 0.9011 0.2115 0.132(7) Uiso 1 d . . .
B2 B 0.0516(8) 0.8959(5) 0.1341(12) 0.079(3) Uiso 1 d . . .
H1 H 0.9394 0.5051 0.9781 0.106 Uiso 1 d . . .
H2 H 0.7229 0.5043 0.8227 0.070 Uiso 1 d . . .
H3 H 0.7081 0.5754 0.7239 0.055 Uiso 1 d . . .
H4 H 0.9878 0.5884 0.9702 0.115 Uiso 1 d . . .
H5 H 0.9691 0.5540 0.8794 0.115 Uiso 1 d . . .
H6 H 0.9404 0.6082 0.8546 0.115 Uiso 1 d . . .
H7 H 0.9670 0.5493 1.2607 0.103 Uiso 1 d . . .
H8 H 1.0358 0.5850 1.4345 0.139 Uiso 1 d . . .
H9 H 0.9758 0.6226 1.4880 0.163 Uiso 1 d . . .
H10 H 0.8510 0.6343 1.3702 0.167 Uiso 1 d . . .
H11 H 0.7804 0.6061 1.1887 0.096 Uiso 1 d . . .
H12 H 0.7491 0.5052 1.1548 0.067 Uiso 1 d . . .
H13 H 0.6283 0.4939 1.0863 0.068 Uiso 1 d . . .
H14 H 0.5341 0.5302 0.9239 0.077 Uiso 1 d . . .
H15 H 0.5567 0.5712 0.8223 0.075 Uiso 1 d . . .
H16 H 0.6783 0.5797 0.8878 0.062 Uiso 1 d . . .
H17 H 0.9021 0.4865 1.1443 0.079 Uiso 1 d . . .
H18 H 0.8438 0.4746 1.1574 0.079 Uiso 1 d . . .
H19 H 0.7626 0.4590 0.9673 0.091 Uiso 1 d . . .
H20 H 0.8196 0.4181 1.0402 0.091 Uiso 1 d . . .
H21 H 0.9395 0.7507 1.1254 0.090 Uiso 1 d . . .
H22 H 1.0648 0.7679 1.2635 0.105 Uiso 1 d . . .
H23 H 1.1469 0.7036 1.3478 0.128 Uiso 1 d . . .
H24 H 1.1151 0.6224 1.2783 0.148 Uiso 1 d . . .
H25 H 0.9895 0.6044 1.1462 0.104 Uiso 1 d . . .
H26 H 0.8952 0.7106 1.2094 0.086 Uiso 1 d . . .
H27 H 0.8244 0.7463 1.2509 0.101 Uiso 1 d . . .
H28 H 0.6993 0.7366 1.1400 0.112 Uiso 1 d . . .
H29 H 0.6389 0.6932 0.9763 0.083 Uiso 1 d . . .
H30 H 0.7057 0.6635 0.9285 0.064 Uiso 1 d . . .
H31 H 0.8493 0.7338 0.9471 0.064 Uiso 1 d . . .
H32 H 0.8608 0.6920 0.8930 0.064 Uiso 1 d . . .
H33 H 0.7271 0.7193 0.8388 0.059 Uiso 1 d . . .
H34 H 0.7355 0.6717 0.7936 0.059 Uiso 1 d . . .
H35 H 0.6088 0.8437 0.4917 0.092 Uiso 1 d . . .
H36 H 0.5049 0.7250 0.5107 0.095 Uiso 1 d . . .
H37 H 0.6199 0.6927 0.6565 0.081 Uiso 1 d . . .
H38 H 0.7675 0.8294 0.7094 0.144 Uiso 1 d . . .
H39 H 0.7715 0.7982 0.6328 0.144 Uiso 1 d . . .
H40 H 0.7273 0.8475 0.5939 0.144 Uiso 1 d . . .
H41 H 0.8233 0.6924 0.4826 0.057 Uiso 1 d . . .
H42 H 0.8831 0.7490 0.4482 0.067 Uiso 1 d . . .
H43 H 0.8329 0.8284 0.3839 0.074 Uiso 1 d . . .
H44 H 0.7206 0.8474 0.3410 0.074 Uiso 1 d . . .
H45 H 0.6690 0.7952 0.3876 0.061 Uiso 1 d . . .
H46 H 0.6106 0.6073 0.4152 0.065 Uiso 1 d . . .
H47 H 0.5717 0.5384 0.3016 0.079 Uiso 1 d . . .
H48 H 0.5968 0.5361 0.1853 0.081 Uiso 1 d . . .
H49 H 0.6613 0.5976 0.1798 0.072 Uiso 1 d . . .
H50 H 0.7051 0.6662 0.2983 0.062 Uiso 1 d . . .
H51 H 0.5008 0.6479 0.1430 0.076 Uiso 1 d . . .
H52 H 0.5145 0.6570 0.0156 0.099 Uiso 1 d . . .
H53 H 0.5350 0.7349 -0.0225 0.085 Uiso 1 d . . .
H54 H 0.5573 0.8032 0.0847 0.079 Uiso 1 d . . .
H55 H 0.5428 0.7945 0.2115 0.074 Uiso 1 d . . .
H56 H 0.3829 0.6693 0.1051 0.111 Uiso 1 d . . .
H57 H 0.3168 0.5968 0.0693 0.127 Uiso 1 d . . .
H58 H 0.3428 0.5477 0.2064 0.111 Uiso 1 d . . .
H59 H 0.4443 0.5691 0.3856 0.104 Uiso 1 d . . .
H60 H 0.5186 0.6362 0.4202 0.082 Uiso 1 d . . .
H61 H 0.4409 0.7843 0.2038 0.084 Uiso 1 d . . .
H62 H 0.3965 0.7461 0.2142 0.084 Uiso 1 d . . .
H63 H 0.3981 0.7818 0.2923 0.634 Uiso 1 d . . .
H64 H 0.4407 0.8206 0.2795 0.634 Uiso 1 d . . .
H65 H 0.8012 0.6576 0.5837 0.054 Uiso 1 d . . .
H66 H 0.7887 0.6986 0.6380 0.054 Uiso 1 d . . .
H67 H 0.7321 0.6017 0.5952 0.048 Uiso 1 d . . .
H68 H 0.7091 0.6429 0.6359 0.048 Uiso 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
Rh1 P4 2.236(2) . ?
Rh1 P3 2.240(2) . ?
Rh1 C39 2.261(10) . ?
Rh1 C40 2.293(11) . ?
Rh1 C38 2.356(10) . ?
Rh1 C37 2.363(10) . ?
Rh1 C41 2.405(9) . ?
Rh1 C36 2.432(8) . ?
Rh2 P1 2.2269(19) . ?
Rh2 C4 2.258(10) . ?
Rh2 P2 2.259(3) . ?
Rh2 C3 2.262(11) . ?
Rh2 C5 2.359(7) . ?
Rh2 C2 2.359(10) . ?
Rh2 C1 2.402(9) . ?
Rh2 C6 2.419(7) . ?
Cl1 C71 1.87(4) . ?
Cl2 C71 1.59(4) . ?
P1 C20 1.811(11) . ?
P1 C8 1.813(8) . ?
P1 C14 1.816(8) . ?
P2 C28 1.815(8) . ?
P2 C34 1.833(9) . ?
P2 C22 1.834(9) . ?
P3 C69 1.827(8) . ?
P3 C49 1.835(8) . ?
P3 C43 1.847(8) . ?
P4 C61 1.801(12) . ?
P4 C55 1.818(8) . ?
P4 C67 1.840(10) . ?
F1 B1 1.36023(19) . ?
F2 B1 1.36062(19) . ?
F3 B1 1.3610(2) . ?
F4 B1 1.3604(2) . ?
F5 B2 1.29(2) . ?
F6 B2 1.432(17) . ?
F7 B2 1.396(18) . ?
F8 B2 1.362(16) . ?
O1 C3 1.348(14) . ?
O1 C21 1.449(13) . ?
O2 C36 1.354(11) . ?
O2 C35 1.463(9) . ?
O3 C68 1.28(2) . ?
O3 C39 1.397(14) . ?
O4 C6 1.385(10) . ?
O4 C70 1.488(9) . ?
C1 C2 1.392(19) . ?
C1 C7 1.393(18) . ?
C1 C6 1.394(13) . ?
C2 C3 1.322(19) . ?
C2 H1 0.948(10) . ?
C3 C4 1.441(16) . ?
C4 C5 1.409(12) . ?
C4 H2 0.949(11) . ?
C5 C6 1.411(12) . ?
C5 H3 0.953(9) . ?
C7 H4 0.950(13) . ?
C7 H5 0.955(15) . ?
C7 H6 0.942(14) . ?
C8 C9 1.355(17) . ?
C8 C13 1.412(17) . ?
C9 C10 1.441(19) . ?
C9 H7 0.954(15) . ?
C10 C11 1.35(3) . ?
C10 H8 0.954(16) . ?
C11 C12 1.38(3) . ?
C11 H9 0.948(12) . ?
C12 C13 1.443(14) . ?
C12 H10 0.95(2) . ?
C13 H11 0.953(14) . ?
C14 C19 1.391(12) . ?
C14 C15 1.410(11) . ?
C15 C16 1.378(14) . ?
C15 H12 0.952(9) . ?
C16 C17 1.390(14) . ?
C16 H13 0.951(8) . ?
C17 C18 1.364(14) . ?
C17 H14 0.952(9) . ?
C18 C19 1.402(13) . ?
C18 H15 0.951(10) . ?
C19 H16 0.948(8) . ?
C20 C21 1.522(16) . ?
C20 H17 0.948(11) . ?
C20 H18 0.949(9) . ?
C21 H19 0.956(13) . ?
C21 H20 0.950(10) . ?
C22 C27 1.336(17) . ?
C22 C23 1.460(16) . ?
C23 C24 1.395(16) . ?
C23 H21 0.957(13) . ?
C24 C25 1.37(2) . ?
C24 H22 0.952(14) . ?
C25 C26 1.38(3) . ?
C25 H23 0.952(13) . ?
C26 C27 1.406(19) . ?
C26 H24 0.963(18) . ?
C27 H25 0.953(15) . ?
C28 C29 1.397(11) . ?
C28 C33 1.433(13) . ?
C29 C30 1.417(16) . ?
C29 H26 0.951(10) . ?
C30 C31 1.36(2) . ?
C30 H27 0.954(11) . ?
C31 C32 1.427(17) . ?
C31 H28 0.946(12) . ?
C32 C33 1.355(13) . ?
C32 H29 0.950(11) . ?
C33 H30 0.953(9) . ?
C34 C35 1.514(12) . ?
C34 H31 0.950(9) . ?
C34 H32 0.949(8) . ?
C35 H33 0.950(8) . ?
C35 H34 0.951(9) . ?
C36 C37 1.402(14) . ?
C36 C41 1.410(15) . ?
C37 C38 1.359(16) . ?
C37 C42 1.48(2) . ?
C38 C39 1.42(2) . ?
C38 H35 0.952(12) . ?
C39 C40 1.46(2) . ?
C40 C41 1.397(16) . ?
C40 H36 0.945(14) . ?
C41 H37 0.952(12) . ?
C42 H38 0.953(17) . ?
C42 H39 0.948(18) . ?
C42 H40 0.943(15) . ?
C43 C48 1.341(13) . ?
C43 C44 1.416(13) . ?
C44 C45 1.405(12) . ?
C44 H41 0.948(8) . ?
C45 C46 1.379(15) . ?
C45 H42 0.956(10) . ?
C46 C47 1.378(15) . ?
C46 H43 0.952(10) . ?
C47 C48 1.347(14) . ?
C47 H44 0.952(10) . ?
C48 H45 0.952(9) . ?
C49 C50 1.379(13) . ?
C49 C54 1.403(11) . ?
C50 C51 1.396(15) . ?
C50 H46 0.951(9) . ?
C51 C52 1.375(16) . ?
C51 H47 0.951(11) . ?
C52 C53 1.346(16) . ?
C52 H48 0.953(11) . ?
C53 C54 1.415(13) . ?
C53 H49 0.953(9) . ?
C54 H50 0.950(9) . ?
C55 C56 1.389(14) . ?
C55 C60 1.422(14) . ?
C56 C57 1.368(13) . ?
C56 H51 0.953(11) . ?
C57 C58 1.375(17) . ?
C57 H52 0.946(12) . ?
C58 C59 1.398(16) . ?
C58 H53 0.948(9) . ?
C59 C60 1.355(13) . ?
C59 H54 0.952(11) . ?
C60 H55 0.950(10) . ?
C61 C66 1.400(13) . ?
C61 C62 1.414(16) . ?
C62 C63 1.394(19) . ?
C62 H56 0.957(11) . ?
C63 C64 1.367(19) . ?
C63 H57 0.953(13) . ?
C64 C65 1.431(19) . ?
C64 H58 0.948(13) . ?
C65 C66 1.378(17) . ?
C65 H59 0.958(11) . ?
C66 H60 0.955(9) . ?
C67 C68 1.16(2) . ?
C67 H61 0.948(11) . ?
C67 H62 0.952(12) . ?
C68 H63 0.90(6) . ?
C68 H64 1.01(7) . ?
C69 C70 1.536(10) . ?
C69 H65 0.949(8) . ?
C69 H66 0.948(8) . ?
C70 H67 0.952(8) . ?
C70 H68 0.951(7) . ?
C72 C73 1.25(4) . ?
C73 C74 1.53(4) . ?
C74 C75 1.49(4) . ?
C75 C76 1.51(4) . ?
