#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/28/4062809.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_4062809
loop_
_publ_author_name
'Gauthier, Sébastien'
'Scopelliti, Rosario'
'Severin, Kay'
_publ_section_title
;
A Heterobimetallic Rh(I)-Ru(II) Catalyst for the Oppenauer-Type Oxidation
of Primary and Secondary Alcohols Under Mild Conditions
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049671m
_journal_year                    2004
_chemical_formula_moiety
'C68 H56 Cl3 O2 P2 Rh Ru, C3 H6 O, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C71.5 H63 Cl4 O3 P2 Rh Ru'
_chemical_formula_weight         1377.94
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.74(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.620(4)
_cell_length_b                   21.2001(15)
_cell_length_c                   22.096(6)
_cell_measurement_temperature    140(2)
_cell_volume                     6246(3)
_diffrn_ambient_temperature      140(2)
_exptl_crystal_density_diffrn    1.465
_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/n'
_cod_original_formula_sum        'C71.50 H63 Cl4 O3 P2 Rh Ru'
_cod_database_code               4062809
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.66533(3) 0.117030(17) 0.28429(2) 0.03416(12) Uani 1 1 d . . .
Ru1 Ru 0.43073(3) 0.077762(18) 0.27174(2) 0.03369(12) Uani 1 1 d . . .
Cl1 Cl 0.50938(10) 0.17926(5) 0.25620(6) 0.0385(3) Uani 1 1 d . . .
Cl2 Cl 0.57261(10) 0.06443(5) 0.35522(6) 0.0365(3) Uani 1 1 d . . .
Cl3 Cl 0.55924(10) 0.03702(5) 0.21538(6) 0.0389(3) Uani 1 1 d . . .
P1 P 0.33766(11) 0.13447(6) 0.33091(7) 0.0365(3) Uani 1 1 d . . .
P2 P 0.37229(11) -0.02534(6) 0.27403(7) 0.0356(3) Uani 1 1 d . . .
O1 O 0.3161(3) 0.09415(16) 0.19319(18) 0.0411(9) Uani 1 1 d . . .
O2 O 0.8373(3) 0.05439(16) 0.21331(18) 0.0411(9) Uani 1 1 d . . .
C1 C 0.3096(5) 0.1133(3) 0.1399(3) 0.0512(15) Uani 1 1 d . . .
C2 C 0.2079(6) 0.1186(3) 0.0998(3) 0.071(2) Uani 1 1 d . . .
H2A H 0.2029 0.0901 0.0644 0.107 Uiso 1 1 calc R . .
H2B H 0.1967 0.1621 0.0850 0.107 Uiso 1 1 calc R . .
H2C H 0.1572 0.1072 0.1236 0.107 Uiso 1 1 calc R . .
C3 C 0.3980(6) 0.1305(3) 0.1119(4) 0.071(2) Uani 1 1 d . . .
H3A H 0.4598 0.1150 0.1385 0.106 Uiso 1 1 calc R . .
H3B H 0.4016 0.1765 0.1081 0.106 Uiso 1 1 calc R . .
H3C H 0.3902 0.1112 0.0709 0.106 Uiso 1 1 calc R . .
C4 C 0.8155(4) 0.0948(2) 0.2488(3) 0.0369(12) Uani 1 1 d . . .
C5 C 0.7687(4) 0.1581(2) 0.2319(3) 0.0357(12) Uani 1 1 d . . .
C6 C 0.7703(4) 0.1919(2) 0.2897(3) 0.0364(12) Uani 1 1 d . . .
C7 C 0.8004(4) 0.1497(2) 0.3412(3) 0.0362(12) Uani 1 1 d . . .
C8 C 0.8183(4) 0.0880(2) 0.3157(3) 0.0360(12) Uani 1 1 d . . .
C9 C 0.7467(4) 0.1846(2) 0.1696(3) 0.0393(12) Uani 1 1 d . . .
C10 C 0.8126(5) 0.1716(3) 0.1301(3) 0.0469(14) Uani 1 1 d . . .
H10 H 0.8678 0.1441 0.1435 0.056 Uiso 1 1 calc R . .
C11 C 0.7983(5) 0.1985(3) 0.0717(3) 0.0552(16) Uani 1 1 d . . .
H11 H 0.8437 0.1895 0.0455 0.066 Uiso 1 1 calc R . .
C12 C 0.7179(6) 0.2386(3) 0.0515(3) 0.0547(17) Uani 1 1 d . . .
H12 H 0.7081 0.2572 0.0116 0.066 Uiso 1 1 calc R . .
C13 C 0.6521(5) 0.2512(2) 0.0900(3) 0.0515(16) Uani 1 1 d . . .
H13 H 0.5965 0.2783 0.0761 0.062 Uiso 1 1 calc R . .
C14 C 0.6657(5) 0.2249(2) 0.1486(3) 0.0453(14) Uani 1 1 d . . .
H14 H 0.6199 0.2344 0.1746 0.054 Uiso 1 1 calc R . .
C15 C 0.7522(4) 0.2608(2) 0.2958(3) 0.0368(12) Uani 1 1 d . . .
C16 C 0.8138(4) 0.3033(2) 0.2723(3) 0.0422(13) Uani 1 1 d . . .
H16 H 0.8618 0.2885 0.2500 0.051 Uiso 1 1 calc R . .
C17 C 0.8037(4) 0.3680(2) 0.2822(3) 0.0460(14) Uani 1 1 d . . .
H17 H 0.8454 0.3972 0.2667 0.055 Uiso 1 1 calc R . .
C18 C 0.7335(5) 0.3897(2) 0.3143(3) 0.0470(14) Uani 1 1 d . . .
H18 H 0.7276 0.4337 0.3209 0.056 Uiso 1 1 calc R . .
C19 C 0.6715(5) 0.3479(2) 0.3370(3) 0.0454(14) Uani 1 1 d . . .
H19 H 0.6221 0.3630 0.3582 0.054 Uiso 1 1 calc R . .
C20 C 0.6828(5) 0.2831(2) 0.3284(3) 0.0433(13) Uani 1 1 d . . .
H20 H 0.6422 0.2541 0.3451 0.052 Uiso 1 1 calc R . .
C21 C 0.8192(4) 0.1668(2) 0.4080(3) 0.0362(12) Uani 1 1 d . . .
C22 C 0.8729(5) 0.2215(2) 0.4276(3) 0.0462(14) Uani 1 1 d . . .
H22 H 0.8960 0.2478 0.3985 0.055 Uiso 1 1 calc R . .
C23 C 0.8926(5) 0.2377(3) 0.4900(3) 0.0569(17) Uani 1 1 d . . .
H23 H 0.9302 0.2746 0.5035 0.068 Uiso 1 1 calc R . .
C24 C 0.8576(5) 0.1999(3) 0.5329(3) 0.0549(16) Uani 1 1 d . . .
H24 H 0.8692 0.2119 0.5752 0.066 Uiso 1 1 calc R . .
C25 C 0.8059(5) 0.1452(3) 0.5133(3) 0.0477(14) Uani 1 1 d . . .
H25 H 0.7837 0.1187 0.5425 0.057 Uiso 1 1 calc R . .
C26 C 0.7861(4) 0.1285(2) 0.4513(3) 0.0421(13) Uani 1 1 d . . .
H26 H 0.7498 0.0909 0.4382 0.051 Uiso 1 1 calc R . .
C27 C 0.8585(4) 0.0303(2) 0.3501(3) 0.0350(11) Uani 1 1 d . . .
C28 C 0.8155(4) -0.0285(2) 0.3324(3) 0.0401(12) Uani 1 1 d . . .
H28 H 0.7557 -0.0309 0.3017 0.048 Uiso 1 1 calc R . .
C29 C 0.8591(4) -0.0826(2) 0.3592(3) 0.0425(13) Uani 1 1 d . . .
H29 H 0.8290 -0.1223 0.3473 0.051 Uiso 1 1 calc R . .
C30 C 0.9474(5) -0.0796(3) 0.4037(3) 0.0481(14) Uani 1 1 d . . .
H30 H 0.9770 -0.1173 0.4220 0.058 Uiso 1 1 calc R . .
C31 C 0.9927(5) -0.0220(3) 0.4215(3) 0.0493(15) Uani 1 1 d . . .
H31 H 1.0533 -0.0201 0.4517 0.059 Uiso 1 1 calc R . .
C32 C 0.9470(4) 0.0335(3) 0.3941(3) 0.0437(13) Uani 1 1 d . . .
H32 H 0.9770 0.0733 0.4058 0.052 Uiso 1 1 calc R . .
C33 C 0.4003(4) 0.2047(2) 0.3728(3) 0.0387(12) Uani 1 1 d . . .
C34 C 0.4945(4) 0.1989(2) 0.4099(3) 0.0423(13) Uani 1 1 d . . .
H34 H 0.5284 0.1596 0.4117 0.051 Uiso 1 1 calc R . .
C35 C 0.5411(5) 0.2496(3) 0.4448(3) 0.0465(14) Uani 1 1 d . . .
H35 H 0.6063 0.2448 0.4697 0.056 Uiso 1 1 calc R . .
C36 C 0.4917(5) 0.3065(3) 0.4429(3) 0.0538(16) Uani 1 1 d . . .
H36 H 0.5231 0.3415 0.4659 0.065 Uiso 1 1 calc R . .
C37 C 0.3965(6) 0.3123(3) 0.4075(4) 0.069(2) Uani 1 1 d . . .
H37 H 0.3621 0.3513 0.4070 0.083 Uiso 1 1 calc R . .
C38 C 0.3502(5) 0.2622(3) 0.3726(3) 0.0587(18) Uani 1 1 d . . .
H38 H 0.2843 0.2671 0.3486 0.070 Uiso 1 1 calc R . .
C39 C 0.2250(4) 0.1712(2) 0.2826(3) 0.0389(12) Uani 1 1 d . . .
C40 C 0.2428(5) 0.2139(2) 0.2372(3) 0.0449(14) Uani 1 1 d . . .
H40 H 0.3097 0.2240 0.2345 0.054 Uiso 1 1 calc R . .
C41 C 0.1638(5) 0.2412(3) 0.1966(3) 0.0540(16) Uani 1 1 d . . .
H41 H 0.1769 0.2697 0.1659 0.065 Uiso 1 1 calc R . .
C42 C 0.0645(5) 0.2274(3) 0.2001(3) 0.0536(16) Uani 1 1 d . . .
H42 H 0.0095 0.2466 0.1730 0.064 Uiso 1 1 calc R . .
C43 C 0.0502(5) 0.1851(3) 0.2439(3) 0.0569(17) Uani 1 1 d . . .
H43 H -0.0167 0.1747 0.2463 0.068 Uiso 1 1 calc R . .
C44 C 0.1267(4) 0.1568(2) 0.2848(3) 0.0442(13) Uani 1 1 d . . .
H44 H 0.1123 0.1276 0.3144 0.053 Uiso 1 1 calc R . .
C45 C 0.2969(4) 0.0982(2) 0.3970(3) 0.0385(12) Uani 1 1 d . . .
C46 C 0.2248(4) 0.1267(2) 0.4261(3) 0.0436(13) Uani 1 1 d . . .
H46 H 0.1928 0.1647 0.4100 0.052 Uiso 1 1 calc R . .
C47 C 0.2007(5) 0.0992(3) 0.4781(3) 0.0497(15) Uani 1 1 d . . .
H47 H 0.1506 0.1177 0.4967 0.060 Uiso 1 1 calc R . .
C48 C 0.2490(5) 0.0452(3) 0.5030(3) 0.0519(16) Uani 1 1 d . . .
H48 H 0.2320 0.0265 0.5386 0.062 Uiso 1 1 calc R . .
C49 C 0.3220(5) 0.0184(3) 0.4762(3) 0.0520(16) Uani 1 1 d . . .
H49 H 0.3563 -0.0182 0.4941 0.062 Uiso 1 1 calc R . .
C50 C 0.3459(5) 0.0442(2) 0.4234(3) 0.0448(14) Uani 1 1 d . . .
H50 H 0.3959 0.0250 0.4052 0.054 Uiso 1 1 calc R . .
C51 C 0.2396(4) -0.0427(2) 0.2712(3) 0.0399(12) Uani 1 1 d . . .
C52 C 0.1705(5) 0.0054(3) 0.2677(3) 0.0487(15) Uani 1 1 d . . .
H52 H 0.1930 0.0479 0.2688 0.058 Uiso 1 1 calc R . .
C53 C 0.0689(5) -0.0065(3) 0.2627(4) 0.0614(19) Uani 1 1 d . . .
H53 H 0.0229 0.0273 0.2618 0.074 Uiso 1 1 calc R . .
C54 C 0.0355(5) -0.0687(3) 0.2589(3) 0.0597(17) Uani 1 1 d . . .
H54 H -0.0339 -0.0775 0.2553 0.072 Uiso 1 1 calc R . .
C55 C 0.1021(5) -0.1173(3) 0.2605(3) 0.0549(16) Uani 1 1 d . . .
H55 H 0.0790 -0.1597 0.2577 0.066 Uiso 1 1 calc R . .
C56 C 0.2036(5) -0.1045(3) 0.2660(3) 0.0554(17) Uani 1 1 d . . .
H56 H 0.2493 -0.1385 0.2662 0.066 Uiso 1 1 calc R . .
C57 C 0.4386(4) -0.0754(2) 0.3372(3) 0.0342(11) Uani 1 1 d . . .
C58 C 0.3900(4) -0.1009(2) 0.3815(3) 0.0427(13) Uani 1 1 d . . .
H58 H 0.3207 -0.0930 0.3792 0.051 Uiso 1 1 calc R . .
C59 C 0.4440(5) -0.1384(3) 0.4296(3) 0.0474(14) Uani 1 1 d . . .
H59 H 0.4116 -0.1547 0.4604 0.057 Uiso 1 1 calc R . .
C60 C 0.5437(5) -0.1514(2) 0.4320(3) 0.0477(14) Uani 1 1 d . . .
H60 H 0.5793 -0.1778 0.4637 0.057 Uiso 1 1 calc R . .
C61 C 0.5922(5) -0.1264(2) 0.3887(3) 0.0447(13) Uani 1 1 d . . .
H61 H 0.6610 -0.1355 0.3907 0.054 Uiso 1 1 calc R . .
C62 C 0.5407(4) -0.0877(2) 0.3420(3) 0.0401(13) Uani 1 1 d . . .
H62 H 0.5753 -0.0694 0.3131 0.048 Uiso 1 1 calc R . .
C63 C 0.3830(4) -0.0718(2) 0.2042(3) 0.0414(13) Uani 1 1 d . . .
C64 C 0.4285(4) -0.1298(3) 0.2054(3) 0.0489(14) Uani 1 1 d . . .
H64 H 0.4637 -0.1465 0.2436 0.059 Uiso 1 1 calc R . .
C65 C 0.4235(5) -0.1644(3) 0.1509(3) 0.0585(17) Uani 1 1 d . . .
H65 H 0.4554 -0.2044 0.1526 0.070 Uiso 1 1 calc R . .
C66 C 0.3733(6) -0.1415(3) 0.0953(3) 0.0634(19) Uani 1 1 d . . .
H66 H 0.3718 -0.1647 0.0584 0.076 Uiso 1 1 calc R . .
C67 C 0.3245(7) -0.0840(3) 0.0937(3) 0.068(2) Uani 1 1 d . . .
H67 H 0.2874 -0.0680 0.0557 0.082 Uiso 1 1 calc R . .
C68 C 0.3301(6) -0.0501(3) 0.1475(3) 0.0564(17) Uani 1 1 d . . .
H68 H 0.2967 -0.0106 0.1458 0.068 Uiso 1 1 calc R . .
O3 O 0.2912(7) 0.0433(4) -0.0157(4) 0.125(3) Uani 1 1 d . . .
C69 C 0.3452(8) 0.0218(4) -0.0479(4) 0.086(3) Uani 1 1 d . . .
C70 C 0.3348(8) -0.0422(4) -0.0746(4) 0.094(3) Uani 1 1 d . . .
H70A H 0.2818 -0.0649 -0.0595 0.141 Uiso 1 1 calc R . .
H70B H 0.3984 -0.0649 -0.0622 0.141 Uiso 1 1 calc R . .
H70C H 0.3173 -0.0393 -0.1198 0.141 Uiso 1 1 calc R . .
C71 C 0.4259(8) 0.0598(5) -0.0637(5) 0.110(4) Uani 1 1 d . . .
H71A H 0.4228 0.1026 -0.0476 0.165 Uiso 1 1 calc R . .
H71B H 0.4184 0.0614 -0.1088 0.165 Uiso 1 1 calc R . .
H71C H 0.4907 0.0408 -0.0454 0.165 Uiso 1 1 calc R . .
Cl4 Cl 0.5602(10) 0.5658(6) 0.4637(6) 0.248(5) Uiso 0.50 1 d PD . .
Cl5 Cl 0.4523(12) 0.4718(7) 0.4005(8) 0.307(7) Uiso 0.50 1 d PD . .
C72 C 0.5616(14) 0.5078(9) 0.4077(9) 0.104(6) Uiso 0.50 1 d PD . .
H72A H 0.5689 0.5270 0.3680 0.125 Uiso 0.50 1 calc PR . .
H72B H 0.6175 0.4778 0.4213 0.125 Uiso 0.50 1 calc PR . .
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 C7 2.122(5) . ?
Rh1 C6 2.124(5) . ?
Rh1 C8 2.147(5) . ?
Rh1 C5 2.177(5) . ?
Rh1 C4 2.381(5) . ?
Rh1 Cl2 2.4698(14) . ?
Rh1 Cl1 2.4700(14) . ?
Rh1 Cl3 2.5275(14) . ?
Ru1 O1 2.114(4) . ?
Ru1 P2 2.3303(13) . ?
Ru1 P1 2.3314(15) . ?
Ru1 Cl2 2.4013(16) . ?
Ru1 Cl1 2.4588(12) . ?
Ru1 Cl3 2.4994(15) . ?
P1 C45 1.833(6) . ?
P1 C39 1.853(6) . ?
P1 C33 1.865(5) . ?
P2 C51 1.833(6) . ?
P2 C57 1.838(5) . ?
P2 C63 1.862(6) . ?
O1 C1 1.232(7) . ?
O2 C4 1.239(6) . ?
C1 C2 1.489(9) . ?
C1 C3 1.506(10) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C8 1.476(8) . ?
C4 C5 1.501(7) . ?
C5 C6 1.459(7) . ?
C5 C9 1.461(8) . ?
C6 C7 1.439(7) . ?
C6 C15 1.492(7) . ?
C7 C8 1.464(7) . ?
C7 C21 1.492(8) . ?
C8 C27 1.485(7) . ?
C9 C14 1.398(8) . ?
C9 C10 1.399(8) . ?
C10 C11 1.388(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(9) . ?
C11 H11 0.9500 . ?
C12 C13 1.382(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.386(8) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.383(8) . ?
C15 C16 1.402(7) . ?
C16 C17 1.399(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.386(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.400(7) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.394(7) . ?
C21 C26 1.397(8) . ?
C22 C23 1.392(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.397(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.381(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(8) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.388(8) . ?
C27 C28 1.399(7) . ?
C28 C29 1.369(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.391(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.388(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.408(8) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.381(8) . ?
C33 C38 1.398(8) . ?
C34 C35 1.397(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.378(8) . ?
C35 H35 0.9500 . ?
C36 C37 1.376(9) . ?
C36 H36 0.9500 . ?
C37 C38 1.387(9) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C44 1.384(8) . ?
C39 C40 1.408(8) . ?
C40 C41 1.380(9) . ?
C40 H40 0.9500 . ?
C41 C42 1.402(9) . ?
C41 H41 0.9500 . ?
C42 C43 1.362(9) . ?
C42 H42 0.9500 . ?
C43 C44 1.370(8) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C50 1.393(8) . ?
C45 C46 1.414(8) . ?
C46 C47 1.386(8) . ?
C46 H46 0.9500 . ?
C47 C48 1.377(9) . ?
C47 H47 0.9500 . ?
C48 C49 1.380(9) . ?
C48 H48 0.9500 . ?
C49 C50 1.386(8) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.378(8) . ?
C51 C56 1.397(7) . ?
C52 C53 1.389(9) . ?
C52 H52 0.9500 . ?
C53 C54 1.393(9) . ?
C53 H53 0.9500 . ?
C54 C55 1.368(9) . ?
C54 H54 0.9500 . ?
C55 C56 1.390(9) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.397(8) . ?
C57 C58 1.398(8) . ?
C58 C59 1.408(8) . ?
C58 H58 0.9500 . ?
C59 C60 1.376(9) . ?
C59 H59 0.9500 . ?
C60 C61 1.374(9) . ?
C60 H60 0.9500 . ?
C61 C62 1.391(8) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C64 1.375(8) . ?
C63 C68 1.389(8) . ?
C64 C65 1.400(9) . ?
C64 H64 0.9500 . ?
C65 C66 1.367(10) . ?
C65 H65 0.9500 . ?
C66 C67 1.385(10) . ?
C66 H66 0.9500 . ?
C67 C68 1.380(9) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
O3 C69 1.212(11) . ?
C69 C71 1.461(13) . ?
C69 C70 1.474(11) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
Cl4 C72 1.748(15) . ?
Cl5 C72 1.651(16) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
