#------------------------------------------------------------------------------
#$Date: 2022-09-15 01:26:15 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277847 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/12/4061252.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_4061252
loop_
_publ_author_name
'Josefina Díez Viñuela'
_publ_section_title
;
Indenyl ruthenium(II) aminoallenylidenes: a new building-block for
the synthesis of highly unsaturated alkynyl and allenylidene complexes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049413p
_journal_year                    2004
_chemical_formula_sum            'C68.5 H64.5 F6 N O P3 Ru'
_chemical_formula_weight         1225.69
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.983(2)
_cell_angle_beta                 104.348(2)
_cell_angle_gamma                90.063(3)
_cell_formula_units_Z            2
_cell_length_a                   13.0687(6)
_cell_length_b                   13.7345(6)
_cell_length_c                   18.4915(7)
_cell_measurement_temperature    200(2)
_cell_volume                     2987.5(2)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.363
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_formula_sum        'C68.50 H64.50 F6 N O P3 Ru'
_cod_database_code               4061252
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
Ru1 Ru 0.10588(3) 0.06545(3) 0.35180(2) 0.03065(10) Uani 1 1 d . . .
P1 P 0.05418(9) -0.06389(9) 0.22262(7) 0.0301(3) Uani 1 1 d . . .
P2 P -0.03481(9) 0.16405(9) 0.34193(7) 0.0321(3) Uani 1 1 d . . .
N1 N 0.4407(3) 0.3062(3) 0.3674(3) 0.0478(11) Uani 1 1 d . . .
C1 C 0.2000(3) 0.1527(3) 0.3271(2) 0.0321(10) Uani 1 1 d . . .
C2 C 0.2698(4) 0.2127(4) 0.3263(3) 0.0360(11) Uani 1 1 d . . .
C3 C 0.3414(4) 0.2863(4) 0.3243(3) 0.0399(11) Uani 1 1 d . . .
C4 C 0.2961(4) 0.3509(4) 0.2744(3) 0.0398(11) Uani 1 1 d . . .
C5 C 0.3099(4) 0.3341(4) 0.2008(3) 0.0376(11) Uani 1 1 d . . .
C6 C 0.2353(4) 0.4360(4) 0.3178(3) 0.0522(14) Uani 1 1 d . . .
H6A H 0.2844 0.4917 0.3594 0.078 Uiso 1 1 calc R . .
H6B H 0.1908 0.4075 0.3411 0.078 Uiso 1 1 calc R . .
H6C H 0.1921 0.4628 0.2804 0.078 Uiso 1 1 calc R . .
C7 C 0.4818(5) 0.2462(5) 0.4187(3) 0.0607(16) Uani 1 1 d . . .
H7A H 0.4257 0.2302 0.4397 0.073 Uiso 1 1 calc R . .
H7B H 0.5389 0.2893 0.4639 0.073 Uiso 1 1 calc R . .
C8 C 0.5228(5) 0.1450(5) 0.3745(4) 0.078(2) Uani 1 1 d . . .
H8A H 0.4646 0.0976 0.3348 0.118 Uiso 1 1 calc R . .
H8B H 0.5567 0.1139 0.4120 0.118 Uiso 1 1 calc R . .
H8C H 0.5731 0.1594 0.3487 0.118 Uiso 1 1 calc R . .
C9 C 0.5146(4) 0.3903(5) 0.3709(4) 0.0643(17) Uani 1 1 d . . .
H9A H 0.4772 0.4257 0.3368 0.077 Uiso 1 1 calc R . .
H9B H 0.5356 0.4412 0.4255 0.077 Uiso 1 1 calc R . .
C10 C 0.6103(6) 0.3549(6) 0.3461(6) 0.121(3) Uani 1 1 d . . .
H10A H 0.6557 0.3333 0.3859 0.181 Uiso 1 1 calc R . .
H10B H 0.6472 0.4113 0.3406 0.181 Uiso 1 1 calc R . .
H10C H 0.5910 0.2969 0.2956 0.181 Uiso 1 1 calc R . .
C11 C 0.3803(4) 0.2563(4) 0.1650(3) 0.0400(12) Uani 1 1 d . . .
C12 C 0.3807(4) 0.1549(4) 0.1640(3) 0.0452(13) Uani 1 1 d . . .
H12 H 0.3336 0.1311 0.1858 0.054 Uiso 1 1 calc R . .
C13 C 0.4506(5) 0.0887(4) 0.1306(3) 0.0571(15) Uani 1 1 d . . .
H13 H 0.4500 0.0208 0.1302 0.069 Uiso 1 1 calc R . .
C14 C 0.5202(5) 0.1223(5) 0.0985(4) 0.0646(17) Uani 1 1 d . . .
H14 H 0.5680 0.0778 0.0774 0.077 Uiso 1 1 calc R . .
C15 C 0.5199(5) 0.2210(5) 0.0971(4) 0.0640(17) Uani 1 1 d . . .
H15 H 0.5666 0.2434 0.0743 0.077 Uiso 1 1 calc R . .
C16 C 0.4506(4) 0.2875(4) 0.1295(3) 0.0532(14) Uani 1 1 d . . .
H16 H 0.4504 0.3544 0.1278 0.064 Uiso 1 1 calc R . .
C17 C 0.2592(4) 0.3958(4) 0.1531(3) 0.0428(12) Uani 1 1 d . . .
C18 C 0.1828(4) 0.3457(4) 0.0806(3) 0.0501(14) Uani 1 1 d . . .
H18 H 0.1620 0.2746 0.0644 0.060 Uiso 1 1 calc R . .
C19 C 0.1373(5) 0.3997(5) 0.0322(4) 0.0661(17) Uani 1 1 d . . .
H19 H 0.0864 0.3652 -0.0160 0.079 Uiso 1 1 calc R . .
C20 C 0.1682(5) 0.5060(5) 0.0561(4) 0.0667(17) Uani 1 1 d . . .
H20 H 0.1381 0.5430 0.0240 0.080 Uiso 1 1 calc R . .
C21 C 0.2441(5) 0.5562(5) 0.1280(4) 0.0634(17) Uani 1 1 d . . .
H21 H 0.2657 0.6270 0.1440 0.076 Uiso 1 1 calc R . .
C22 C 0.2879(4) 0.5014(4) 0.1763(3) 0.0526(14) Uani 1 1 d . . .
H22 H 0.3375 0.5364 0.2251 0.063 Uiso 1 1 calc R . .
C23 C 0.0918(4) 0.0875(4) 0.4731(3) 0.0399(12) Uani 1 1 d . . .
H23 H 0.0439 0.1304 0.4955 0.048 Uiso 1 1 calc R . .
C24 C 0.1974(4) 0.1212(4) 0.4800(3) 0.0385(11) Uani 1 1 d . . .
H24 H 0.2292 0.1897 0.5037 0.046 Uiso 1 1 calc R . .
C25 C 0.2456(4) 0.0291(4) 0.4434(3) 0.0367(11) Uani 1 1 d . . .
C26 C 0.3523(4) 0.0123(5) 0.4400(3) 0.0508(14) Uani 1 1 d . . .
H26 H 0.4040 0.0688 0.4599 0.061 Uiso 1 1 calc R . .
C27 C 0.3775(5) -0.0880(5) 0.4071(3) 0.0617(17) Uani 1 1 d . . .
H27 H 0.4467 -0.0994 0.4040 0.074 Uiso 1 1 calc R . .
C28 C 0.2991(5) -0.1747(5) 0.3775(3) 0.0632(17) Uani 1 1 d . . .
H28 H 0.3188 -0.2421 0.3569 0.076 Uiso 1 1 calc R . .
C29 C 0.1964(4) -0.1622(4) 0.3784(3) 0.0507(14) Uani 1 1 d . . .
H29 H 0.1460 -0.2199 0.3579 0.061 Uiso 1 1 calc R . .
C31 C 0.0699(4) -0.0210(4) 0.4269(3) 0.0383(11) Uani 1 1 d . . .
H31 H 0.0046 -0.0604 0.4098 0.046 Uiso 1 1 calc R . .
C32 C 0.1622(4) -0.1074(3) 0.1756(3) 0.0344(11) Uani 1 1 d . . .
C33 C 0.1427(4) -0.1728(4) 0.0949(3) 0.0427(12) Uani 1 1 d . . .
H33 H 0.0730 -0.1903 0.0631 0.051 Uiso 1 1 calc R . .
C34 C 0.2241(5) -0.2120(4) 0.0610(3) 0.0503(14) Uani 1 1 d . . .
H34 H 0.2092 -0.2542 0.0068 0.060 Uiso 1 1 calc R . .
C35 C 0.3274(5) -0.1883(4) 0.1077(4) 0.0597(16) Uani 1 1 d . . .
H35 H 0.3825 -0.2157 0.0855 0.072 Uiso 1 1 calc R . .
C36 C 0.3488(4) -0.1238(5) 0.1876(4) 0.0580(15) Uani 1 1 d . . .
H36 H 0.4186 -0.1074 0.2191 0.070 Uiso 1 1 calc R . .
C37 C 0.2674(4) -0.0832(4) 0.2213(3) 0.0435(12) Uani 1 1 d . . .
H37 H 0.2831 -0.0393 0.2751 0.052 Uiso 1 1 calc R . .
C38 C -0.0427(4) -0.0436(3) 0.1404(3) 0.0339(10) Uani 1 1 d . . .
C39 C -0.0153(4) 0.0332(4) 0.1151(3) 0.0455(13) Uani 1 1 d . . .
H39 H 0.0520 0.0695 0.1378 0.055 Uiso 1 1 calc R . .
C40 C -0.0870(5) 0.0571(4) 0.0560(3) 0.0596(16) Uani 1 1 d . . .
H40 H -0.0685 0.1117 0.0417 0.072 Uiso 1 1 calc R . .
C41 C -0.1849(5) 0.0010(4) 0.0187(3) 0.0579(16) Uani 1 1 d . . .
H41 H -0.2321 0.0164 -0.0216 0.070 Uiso 1 1 calc R . .
C42 C -0.2123(4) -0.0786(4) 0.0417(3) 0.0513(14) Uani 1 1 d . . .
H42 H -0.2787 -0.1165 0.0168 0.062 Uiso 1 1 calc R . .
C43 C -0.1424(4) -0.1028(4) 0.1014(3) 0.0435(12) Uani 1 1 d . . .
H43 H -0.1611 -0.1575 0.1156 0.052 Uiso 1 1 calc R . .
C44 C -0.0018(4) -0.1853(3) 0.2239(3) 0.0351(11) Uani 1 1 d . . .
C45 C 0.0401(4) -0.2820(4) 0.1965(3) 0.0455(13) Uani 1 1 d . . .
H45 H 0.0961 -0.2878 0.1730 0.055 Uiso 1 1 calc R . .
C46 C -0.0027(5) -0.3691(4) 0.2048(4) 0.0596(16) Uani 1 1 d . . .
H46 H 0.0245 -0.4333 0.1864 0.071 Uiso 1 1 calc R . .
C47 C -0.0846(5) -0.3608(4) 0.2397(4) 0.0662(18) Uani 1 1 d . . .
H47 H -0.1119 -0.4193 0.2456 0.079 Uiso 1 1 calc R . .
C48 C -0.1275(4) -0.2665(4) 0.2667(3) 0.0557(15) Uani 1 1 d . . .
H48 H -0.1833 -0.2614 0.2904 0.067 Uiso 1 1 calc R . .
C49 C -0.0862(4) -0.1800(4) 0.2577(3) 0.0442(12) Uani 1 1 d . . .
H49 H -0.1156 -0.1169 0.2748 0.053 Uiso 1 1 calc R . .
C50 C -0.0676(4) 0.2390(3) 0.2752(3) 0.0364(11) Uani 1 1 d . . .
C51 C -0.1658(4) 0.2795(4) 0.2649(3) 0.0470(13) Uani 1 1 d . . .
H51 H -0.2149 0.2663 0.2899 0.056 Uiso 1 1 calc R . .
C52 C -0.1904(4) 0.3392(4) 0.2177(3) 0.0542(15) Uani 1 1 d . . .
H52 H -0.2558 0.3664 0.2117 0.065 Uiso 1 1 calc R . .
C53 C -0.1199(5) 0.3589(4) 0.1798(3) 0.0506(14) Uani 1 1 d . . .
H53 H -0.1375 0.3976 0.1470 0.061 Uiso 1 1 calc R . .
C54 C -0.0225(5) 0.3207(4) 0.1911(3) 0.0521(14) Uani 1 1 d . . .
H54 H 0.0267 0.3347 0.1665 0.063 Uiso 1 1 calc R . .
C55 C 0.0033(4) 0.2615(4) 0.2387(3) 0.0444(12) Uani 1 1 d . . .
H55 H 0.0698 0.2366 0.2459 0.053 Uiso 1 1 calc R . .
C56 C -0.0247(4) 0.2744(4) 0.4379(3) 0.0405(12) Uani 1 1 d . . .
C57 C -0.1093(5) 0.2996(4) 0.4722(3) 0.0535(14) Uani 1 1 d . . .
H57 H -0.1751 0.2607 0.4464 0.064 Uiso 1 1 calc R . .
C58 C -0.0957(5) 0.3827(5) 0.5452(3) 0.0657(17) Uani 1 1 d . . .
H58 H -0.1519 0.3980 0.5686 0.079 Uiso 1 1 calc R . .
C59 C 0.0008(5) 0.4429(4) 0.5830(3) 0.0656(18) Uani 1 1 d . . .
H59 H 0.0092 0.4992 0.6313 0.079 Uiso 1 1 calc R . .
C60 C 0.0849(5) 0.4189(4) 0.5488(3) 0.0589(16) Uani 1 1 d . . .
H60 H 0.1501 0.4590 0.5744 0.071 Uiso 1 1 calc R . .
C61 C 0.0725(4) 0.3357(4) 0.4766(3) 0.0475(13) Uani 1 1 d . . .
H61 H 0.1292 0.3205 0.4538 0.057 Uiso 1 1 calc R . .
C62 C -0.1613(3) 0.0869(3) 0.3215(3) 0.0341(10) Uani 1 1 d . . .
C63 C -0.2303(3) 0.0484(4) 0.2446(3) 0.0370(11) Uani 1 1 d . . .
H63 H -0.2195 0.0722 0.2056 0.044 Uiso 1 1 calc R . .
C64 C -0.3149(4) -0.0250(4) 0.2259(3) 0.0487(13) Uani 1 1 d . . .
H64 H -0.3600 -0.0506 0.1742 0.058 Uiso 1 1 calc R . .
C65 C -0.3329(4) -0.0606(4) 0.2824(3) 0.0508(14) Uani 1 1 d . . .
H65 H -0.3889 -0.1112 0.2689 0.061 Uiso 1 1 calc R . .
C66 C -0.2676(4) -0.0209(4) 0.3595(3) 0.0507(14) Uani 1 1 d . . .
H66 H -0.2807 -0.0428 0.3987 0.061 Uiso 1 1 calc R . .
C67 C -0.1831(4) 0.0514(4) 0.3781(3) 0.0408(12) Uani 1 1 d . . .
H67 H -0.1392 0.0773 0.4302 0.049 Uiso 1 1 calc R . .
C30 C 0.1670(4) -0.0583(4) 0.4114(3) 0.0400(12) Uani 1 1 d . . .
P3 P 0.43041(13) 0.34166(12) 0.65849(12) 0.0646(5) Uani 1 1 d . . .
F5 F 0.5317(3) 0.3732(3) 0.6353(2) 0.0831(11) Uani 1 1 d . A .
F6 F 0.4403(3) 0.4568(3) 0.7207(2) 0.0937(13) Uani 1 1 d . A .
F1 F 0.5066(3) 0.3074(3) 0.7242(2) 0.0977(13) Uani 1 1 d . A .
F2 F 0.4302(4) 0.2297(4) 0.5825(3) 0.0405(14) Uiso 0.50 1 d P A 1
F2A F 0.4118(7) 0.2212(7) 0.6121(5) 0.094(3) Uiso 0.50 1 d P A 2
F3 F 0.3451(8) 0.3748(8) 0.6070(6) 0.104(3) Uiso 0.50 1 d P A 1
F3A F 0.3648(5) 0.3754(5) 0.5791(4) 0.0492(17) Uiso 0.50 1 d P A 2
F4 F 0.3189(6) 0.3070(6) 0.6615(5) 0.071(2) Uiso 0.50 1 d P A 1
F4A F 0.3444(10) 0.3147(9) 0.6994(7) 0.131(4) Uiso 0.50 1 d P A 2
O1 O 0.6135(10) 0.6589(9) 0.0773(8) 0.365(7) Uiso 1 1 d D . .
H1 H 0.6666 0.6893 0.1135 0.547 Uiso 1 1 calc R . .
C68 C 0.6014(14) 0.5453(13) 0.0690(11) 0.415(14) Uiso 1 1 d D . .
H68A H 0.5931 0.5397 0.1181 0.498 Uiso 1 1 calc R . .
H68B H 0.6620 0.5097 0.0555 0.498 Uiso 1 1 calc R . .
C69 C 0.5000 0.5000 0.0000 0.302(13) Uiso 1 2 d SD . .
H69A H 0.4753 0.4334 -0.0013 0.454 Uiso 0.50 1 calc PR . .
H69B H 0.5151 0.4911 -0.0501 0.454 Uiso 0.50 1 calc PR . .
H69C H 0.4462 0.5472 0.0083 0.454 Uiso 0.50 1 calc PR . .
CT01 C 0.1543 0.0317 0.4469 0.010 Uiso 0.00 1 d P . .
CT02 C 0.2730 -0.0736 0.4096 0.010 Uiso 0.00 1 d P . .
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 CT01 1.9348(4) . ?
Ru1 C1 1.956(5) . ?
Ru1 C23 2.207(4) . ?
Ru1 C24 2.220(4) . ?
Ru1 C31 2.249(4) . ?
Ru1 P2 2.2943(12) . ?
Ru1 P1 2.3402(12) . ?
Ru1 C25 2.352(4) . ?
Ru1 C30 2.377(5) . ?
P1 C32 1.828(5) . ?
P1 C38 1.829(5) . ?
P1 C44 1.830(5) . ?
P2 C62 1.843(5) . ?
P2 C50 1.847(5) . ?
P2 C56 1.850(5) . ?
N1 C3 1.314(6) . ?
N1 C7 1.474(6) . ?
N1 C9 1.478(6) . ?
C1 C2 1.235(6) . ?
C2 C3 1.392(6) . ?
C3 C4 1.520(6) . ?
C4 C5 1.353(6) . ?
C4 C6 1.512(6) . ?
C5 C17 1.477(6) . ?
C5 C11 1.491(6) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.513(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.461(8) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.385(6) . ?
C11 C16 1.399(7) . ?
C12 C13 1.387(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.362(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.366(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.376(7) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C22 1.379(6) . ?
C17 C18 1.394(7) . ?
C18 C19 1.386(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.392(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.384(8) . ?
C20 H20 0.9300 . ?
C21 C22 1.385(7) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C31 1.413(6) . ?
C23 C24 1.415(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.434(6) . ?
C24 H24 0.9300 . ?
C25 CT01 1.211(5) . ?
C25 C30 1.426(6) . ?
C25 C26 1.426(6) . ?
C26 C27 1.370(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.422(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.357(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.432(7) . ?
C29 H29 0.9300 . ?
C31 C30 1.425(6) . ?
C31 H31 0.9300 . ?
C32 C37 1.392(6) . ?
C32 C33 1.397(6) . ?
C33 C34 1.380(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.377(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.379(7) . ?
C35 H35 0.9300 . ?
C36 C37 1.382(6) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 C39 1.376(6) . ?
C38 C43 1.411(6) . ?
C39 C40 1.389(6) . ?
C39 H39 0.9300 . ?
C40 C41 1.374(7) . ?
C40 H40 0.9300 . ?
C41 C42 1.384(7) . ?
C41 H41 0.9300 . ?
C42 C43 1.389(6) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 C49 1.387(6) . ?
C44 C45 1.406(6) . ?
C45 C46 1.392(7) . ?
C45 H45 0.9300 . ?
C46 C47 1.366(8) . ?
C46 H46 0.9300 . ?
C47 C48 1.385(7) . ?
C47 H47 0.9300 . ?
C48 C49 1.383(6) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C50 C55 1.367(6) . ?
C50 C51 1.397(6) . ?
C51 C52 1.383(6) . ?
C51 H51 0.9300 . ?
C52 C53 1.367(7) . ?
C52 H52 0.9300 . ?
C53 C54 1.374(7) . ?
C53 H53 0.9300 . ?
C54 C55 1.384(6) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C56 C57 1.392(7) . ?
C56 C61 1.396(7) . ?
C57 C58 1.390(7) . ?
C57 H57 0.9300 . ?
C58 C59 1.381(8) . ?
C58 H58 0.9300 . ?
C59 C60 1.383(8) . ?
C59 H59 0.9300 . ?
C60 C61 1.383(7) . ?
C60 H60 0.9300 . ?
C61 H61 0.9300 . ?
C62 C67 1.389(6) . ?
C62 C63 1.393(6) . ?
C63 C64 1.385(6) . ?
C63 H63 0.9300 . ?
C64 C65 1.369(7) . ?
C64 H64 0.9300 . ?
C65 C66 1.377(7) . ?
C65 H65 0.9300 . ?
C66 C67 1.374(6) . ?
C66 H66 0.9300 . ?
C67 H67 0.9300 . ?
P3 F3 1.463(10) . ?
P3 F2A 1.552(9) . ?
P3 F4 1.553(8) . ?
P3 F6 1.569(4) . ?
P3 F1 1.581(4) . ?
P3 F5 1.593(4) . ?
P3 F4A 1.610(12) . ?
P3 F2 1.670(6) . ?
P3 F3A 1.722(7) . ?
F3 F4 1.686(12) . ?
O1 C68 1.516(15) . ?
O1 H1 0.8200 . ?
C68 C69 1.537(15) . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
