#------------------------------------------------------------------------------
#$Date: 2025-08-04 10:03:09 +0300 (Mon, 04 Aug 2025) $
#$Revision: 301442 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/14/7051402.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_7051402
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              199
_journal_page_last               206
_journal_paper_doi               10.1039/a808860h
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C52 H97 F6 P5 Ru'
_chemical_formula_weight         1092.22
_chemical_name_common            '[RuH(dcpe)2]PF6'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.960(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.6290(10)
_cell_length_b                   12.4940(10)
_cell_length_c                   22.413(2)
_cell_measurement_temperature    298(2)
_cell_volume                     5467.0(7)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.327
_refine_ls_R_factor_obs          0.0457
_refine_ls_wR_factor_obs         0.0993
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'monoclin' was replaced with
'monoclinic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7051402
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ru Ru 0.749094(15) 0.66478(2) 0.007641(13) 0.03221(11) Uani 1 d . .
P1 P 0.83566(5) 0.53504(8) 0.02344(4) 0.0344(2) Uani 1 d . .
C1 C 0.9201(2) 0.5969(4) 0.0180(2) 0.0440(10) Uani 1 d . .
C2 C 0.9213(2) 0.7089(4) 0.0446(2) 0.0464(10) Uani 1 d . .
P2 P 0.84333(5) 0.78447(8) 0.01699(4) 0.0356(2) Uani 1 d . .
C5 C 0.8444(2) 0.4755(3) 0.10040(17) 0.0417(10) Uani 1 d . .
C6 C 0.8152(3) 0.5513(4) 0.1449(2) 0.0557(12) Uani 1 d . .
C7 C 0.8096(4) 0.4977(6) 0.2045(2) 0.0781(17) Uani 1 d . .
C8 C 0.8779(4) 0.4520(5) 0.2307(2) 0.085(2) Uani 1 d . .
C9 C 0.9096(4) 0.3816(5) 0.1871(3) 0.084(2) Uani 1 d . .
C10 C 0.9154(3) 0.4388(5) 0.1276(2) 0.0583(12) Uani 1 d . .
C11 C 0.8350(2) 0.4181(3) -0.02814(17) 0.0401(9) Uani 1 d . .
C12 C 0.8450(3) 0.4510(4) -0.09289(19) 0.0523(12) Uani 1 d . .
C13 C 0.8311(3) 0.3560(4) -0.1351(2) 0.0645(14) Uani 1 d . .
C14 C 0.8758(3) 0.2613(5) -0.1165(2) 0.0635(14) Uani 1 d . .
C15 C 0.8676(3) 0.2302(4) -0.0521(2) 0.0593(13) Uani 1 d . .
C16 C 0.8806(3) 0.3243(4) -0.0086(2) 0.0507(11) Uani 1 d . .
C17 C 0.8667(2) 0.8458(3) -0.05436(17) 0.0410(9) Uani 1 d . .
C18 C 0.9329(3) 0.9133(5) -0.0486(2) 0.0607(13) Uani 1 d . .
C19 C 0.9420(3) 0.9695(5) -0.1076(3) 0.0686(15) Uani 1 d . .
C20 C 0.9444(3) 0.8926(5) -0.1583(3) 0.0740(17) Uani 1 d . .
C21 C 0.8820(4) 0.8222(5) -0.1645(2) 0.0712(16) Uani 1 d . .
C22 C 0.8711(3) 0.7646(4) -0.1055(2) 0.0614(13) Uani 1 d . .
C23 C 0.8543(2) 0.8998(3) 0.07105(18) 0.0453(10) Uani 1 d . .
C24 C 0.8362(3) 0.8689(4) 0.1334(2) 0.0537(12) Uani 1 d . .
C25 C 0.8516(4) 0.9597(5) 0.1787(2) 0.0736(16) Uani 1 d . .
C26 C 0.8177(4) 1.0621(5) 0.1579(3) 0.0762(17) Uani 1 d . .
C27 C 0.8358(3) 1.0923(4) 0.0964(2) 0.0629(13) Uani 1 d . .
C28 C 0.8176(3) 1.0020(4) 0.0514(2) 0.0522(11) Uani 1 d . .
P3 P 0.66304(5) 0.79504(8) -0.00787(4) 0.0368(2) Uani 1 d . .
C3 C 0.5820(2) 0.7365(4) -0.0425(2) 0.0450(10) Uani 1 d . .
C4 C 0.5744(2) 0.6239(4) -0.0194(2) 0.0418(10) Uani 1 d . .
P4 P 0.65560(5) 0.54703(8) -0.01773(4) 0.0344(2) Uani 1 d . .
C29 C 0.6404(2) 0.8466(4) 0.06575(17) 0.0435(10) Uani 1 d . .
C30 C 0.5673(3) 0.8828(6) 0.0716(2) 0.0682(15) Uani 1 d . .
C31 C 0.5616(4) 0.9248(7) 0.1363(3) 0.091(2) Uani 1 d . .
C32 C 0.5841(4) 0.8451(7) 0.1831(3) 0.093(2) Uani 1 d . .
C33 C 0.6549(3) 0.8060(6) 0.1777(2) 0.0765(16) Uani 1 d . .
C34 C 0.6605(3) 0.7618(4) 0.1146(2) 0.0588(13) Uani 1 d . .
C35 C 0.6752(2) 0.9131(4) -0.05616(19) 0.0476(10) Uani 1 d . .
C36 C 0.6847(3) 0.8798(4) -0.1200(2) 0.0533(12) Uani 1 d . .
C37 C 0.7044(3) 0.9761(5) -0.1567(3) 0.0726(15) Uani 1 d . .
C38 C 0.6532(4) 1.0645(5) -0.1560(3) 0.0800(17) Uani 1 d . .
C39 C 0.6428(4) 1.0966(4) -0.0932(3) 0.0761(17) Uani 1 d . .
C40 C 0.6214(3) 1.0014(4) -0.0556(3) 0.0646(13) Uani 1 d . .
C41 C 0.6501(2) 0.4883(3) -0.09509(16) 0.0378(9) Uani 1 d . .
C42 C 0.6568(3) 0.5742(4) -0.14310(19) 0.0542(12) Uani 1 d . .
C43 C 0.6621(3) 0.5226(5) -0.2041(2) 0.0633(14) Uani 1 d . .
C44 C 0.6013(3) 0.4541(5) -0.2226(2) 0.0674(15) Uani 1 d . .
C45 C 0.5909(4) 0.3705(5) -0.1757(2) 0.0726(16) Uani 1 d . .
C46 C 0.5867(3) 0.4216(5) -0.1147(2) 0.0590(13) Uani 1 d . .
C47 C 0.6309(2) 0.4304(3) 0.02827(17) 0.0429(10) Uani 1 d . .
C48 C 0.6276(3) 0.4584(4) 0.0946(2) 0.0531(12) Uani 1 d . .
C49 C 0.6018(3) 0.3652(4) 0.1297(2) 0.0599(13) Uani 1 d . .
C50 C 0.6453(3) 0.2658(5) 0.1237(2) 0.0677(15) Uani 1 d . .
C51 C 0.6464(3) 0.2366(4) 0.0582(2) 0.0591(13) Uani 1 d . .
C52 C 0.6748(2) 0.3308(4) 0.0233(2) 0.0507(10) Uani 1 d . .
P5 P 0.5000 0.18595(16) 0.2500 0.0574(5) Uani 1 d S .
F1 F 0.50748(17) 0.1825(3) 0.32073(13) 0.0938(11) Uani 1 d . .
F2 F 0.5000 0.3066(5) 0.2500 0.173(3) Uani 1 d S .
F3 F 0.42092(18) 0.1895(5) 0.25040(15) 0.139(2) Uani 1 d . .
F4 F 0.5000 0.0615(5) 0.2500 0.155(3) Uani 1 d S .
P6 P 1.0000 0.74512(17) 0.2500 0.0597(5) Uani 1 d S .
F5 F 1.00172(19) 0.6539(3) 0.29966(14) 0.0969(11) Uani 1 d . .
F6 F 1.00245(19) 0.8311(4) 0.3010(2) 0.1212(16) Uani 1 d . .
F7 F 1.08100(15) 0.7433(3) 0.25346(13) 0.0871(10) Uani 1 d . .
H1A H 0.922(3) 0.597(4) -0.023(2) 0.080 Uiso 1 d . .
H1B H 0.952(3) 0.560(5) 0.038(2) 0.080 Uiso 1 d . .
H2A H 0.959(3) 0.751(5) 0.033(2) 0.080 Uiso 1 d . .
H2B H 0.919(3) 0.708(4) 0.085(3) 0.080 Uiso 1 d . .
H3A H 0.547(3) 0.782(5) -0.035(2) 0.080 Uiso 1 d . .
H3B H 0.583(3) 0.741(5) -0.084(3) 0.080 Uiso 1 d . .
H4A H 0.539(3) 0.583(5) -0.041(2) 0.080 Uiso 1 d . .
H4B H 0.565(3) 0.625(4) 0.019(2) 0.080 Uiso 1 d . .
H5 H 0.813(3) 0.416(5) 0.095(2) 0.080 Uiso 1 d . .
H6A H 0.845(3) 0.616(5) 0.151(2) 0.080 Uiso 1 d . .
H6B H 0.772(3) 0.584(5) 0.126(2) 0.080 Uiso 1 d . .
H7A H 0.788(3) 0.545(5) 0.230(3) 0.080 Uiso 1 d . .
H7B H 0.784(3) 0.437(5) 0.200(2) 0.080 Uiso 1 d . .
H8A H 0.909(3) 0.511(5) 0.242(2) 0.080 Uiso 1 d . .
H8B H 0.867(3) 0.417(5) 0.268(2) 0.080 Uiso 1 d . .
H9A H 0.956(3) 0.356(5) 0.198(2) 0.080 Uiso 1 d . .
H9B H 0.884(3) 0.319(5) 0.177(2) 0.080 Uiso 1 d . .
H10A H 0.934(3) 0.394(5) 0.099(2) 0.080 Uiso 1 d . .
H10B H 0.944(3) 0.500(5) 0.132(2) 0.080 Uiso 1 d . .
H11 H 0.791(3) 0.385(5) -0.027(2) 0.080 Uiso 1 d . .
H12A H 0.812(3) 0.508(5) -0.105(2) 0.080 Uiso 1 d . .
H12B H 0.893(3) 0.475(5) -0.094(2) 0.080 Uiso 1 d . .
H13A H 0.778(3) 0.334(4) -0.138(2) 0.080 Uiso 1 d . .
H13B H 0.846(3) 0.379(4) -0.175(2) 0.080 Uiso 1 d . .
H14A H 0.864(3) 0.198(5) -0.137(2) 0.080 Uiso 1 d . .
H14B H 0.924(3) 0.286(5) -0.121(2) 0.080 Uiso 1 d . .
H15A H 0.823(3) 0.209(5) -0.051(2) 0.080 Uiso 1 d . .
H15B H 0.896(3) 0.175(5) -0.038(2) 0.080 Uiso 1 d . .
H16A H 0.927(3) 0.351(4) -0.006(2) 0.080 Uiso 1 d . .
H16B H 0.872(3) 0.298(4) 0.035(2) 0.080 Uiso 1 d . .
H17 H 0.829(3) 0.893(5) -0.064(2) 0.080 Uiso 1 d . .
H18A H 0.969(3) 0.866(5) -0.039(2) 0.080 Uiso 1 d . .
H18B H 0.932(3) 0.971(5) -0.015(2) 0.080 Uiso 1 d . .
H19A H 0.902(3) 1.014(5) -0.116(2) 0.080 Uiso 1 d . .
H19B H 0.976(3) 1.004(5) -0.105(2) 0.080 Uiso 1 d . .
H20A H 0.945(3) 0.930(5) -0.193(2) 0.080 Uiso 1 d . .
H20B H 0.977(3) 0.849(5) -0.152(2) 0.080 Uiso 1 d . .
H21A H 0.839(3) 0.865(5) -0.177(2) 0.080 Uiso 1 d . .
H21B H 0.878(3) 0.777(5) -0.194(2) 0.080 Uiso 1 d . .
H22A H 0.831(3) 0.726(5) -0.109(2) 0.080 Uiso 1 d . .
H22B H 0.910(3) 0.719(5) -0.098(2) 0.080 Uiso 1 d . .
H23 H 0.901(3) 0.927(5) 0.072(2) 0.080 Uiso 1 d . .
H24A H 0.791(3) 0.857(5) 0.130(2) 0.080 Uiso 1 d . .
H24B H 0.857(3) 0.803(5) 0.147(2) 0.080 Uiso 1 d . .
H25A H 0.900(3) 0.984(5) 0.181(2) 0.080 Uiso 1 d . .
H25B H 0.833(3) 0.933(4) 0.219(2) 0.080 Uiso 1 d . .
H26A H 0.823(3) 1.117(5) 0.183(2) 0.080 Uiso 1 d . .
H26B H 0.763(3) 1.036(4) 0.160(2) 0.080 Uiso 1 d . .
H27A H 0.810(3) 1.158(5) 0.081(2) 0.080 Uiso 1 d . .
H27B H 0.885(3) 1.107(5) 0.099(2) 0.080 Uiso 1 d . .
H28A H 0.762(3) 0.984(4) 0.047(2) 0.080 Uiso 1 d . .
H28B H 0.833(3) 1.029(4) 0.012(2) 0.080 Uiso 1 d . .
H29 H 0.671(3) 0.905(5) 0.074(2) 0.080 Uiso 1 d . .
H30A H 0.561(3) 0.939(5) 0.040(2) 0.080 Uiso 1 d . .
H30B H 0.535(3) 0.821(5) 0.064(2) 0.080 Uiso 1 d . .
H31A H 0.580(3) 0.991(5) 0.130(3) 0.080 Uiso 1 d . .
H31B H 0.518(3) 0.948(5) 0.137(2) 0.080 Uiso 1 d . .
H32A H 0.581(3) 0.868(4) 0.230(2) 0.080 Uiso 1 d . .
H32B H 0.558(3) 0.786(5) 0.180(3) 0.080 Uiso 1 d . .
H33A H 0.691(3) 0.869(5) 0.185(2) 0.080 Uiso 1 d . .
H33B H 0.669(3) 0.746(5) 0.212(2) 0.080 Uiso 1 d . .
H34A H 0.627(3) 0.713(5) 0.107(2) 0.080 Uiso 1 d . .
H34B H 0.715(3) 0.734(4) 0.109(2) 0.080 Uiso 1 d . .
H35 H 0.711(3) 0.961(4) -0.038(2) 0.080 Uiso 1 d . .
H36A H 0.717(3) 0.829(5) -0.121(2) 0.080 Uiso 1 d . .
H36B H 0.645(3) 0.855(5) -0.137(2) 0.080 Uiso 1 d . .
H37A H 0.713(3) 0.953(4) -0.200(2) 0.080 Uiso 1 d . .
H37B H 0.748(3) 1.013(5) -0.142(2) 0.080 Uiso 1 d . .
H38A H 0.669(3) 1.122(5) -0.179(2) 0.080 Uiso 1 d . .
H38B H 0.606(3) 1.036(4) -0.180(2) 0.080 Uiso 1 d . .
H39A H 0.686(3) 1.117(5) -0.074(2) 0.080 Uiso 1 d . .
H39B H 0.609(3) 1.144(5) -0.096(2) 0.080 Uiso 1 d . .
H40A H 0.613(3) 1.022(4) -0.004(2) 0.080 Uiso 1 d . .
H40B H 0.579(3) 0.967(5) -0.076(2) 0.080 Uiso 1 d . .
H41 H 0.690(3) 0.446(5) -0.093(2) 0.080 Uiso 1 d . .
H42A H 0.694(3) 0.615(5) -0.135(2) 0.080 Uiso 1 d . .
H42B H 0.614(3) 0.619(5) -0.148(2) 0.080 Uiso 1 d . .
H43A H 0.700(3) 0.486(5) -0.203(2) 0.080 Uiso 1 d . .
H43B H 0.667(3) 0.570(5) -0.233(2) 0.080 Uiso 1 d . .
H44A H 0.607(3) 0.424(5) -0.257(3) 0.080 Uiso 1 d . .
H44B H 0.564(3) 0.492(5) -0.228(2) 0.080 Uiso 1 d . .
H45A H 0.554(3) 0.326(5) -0.186(2) 0.080 Uiso 1 d . .
H45B H 0.631(3) 0.327(5) -0.171(2) 0.080 Uiso 1 d . .
H46A H 0.582(3) 0.373(5) -0.084(2) 0.080 Uiso 1 d . .
H46B H 0.548(3) 0.473(5) -0.116(2) 0.080 Uiso 1 d . .
H47 H 0.587(3) 0.405(5) 0.009(2) 0.080 Uiso 1 d . .
H48A H 0.673(3) 0.478(5) 0.111(2) 0.080 Uiso 1 d . .
H48B H 0.601(3) 0.523(5) 0.096(2) 0.080 Uiso 1 d . .
H49A H 0.603(3) 0.394(4) 0.176(2) 0.080 Uiso 1 d . .
H49B H 0.552(3) 0.346(5) 0.111(2) 0.080 Uiso 1 d . .
H50A H 0.630(3) 0.209(5) 0.143(2) 0.080 Uiso 1 d . .
H50B H 0.692(3) 0.297(5) 0.139(2) 0.080 Uiso 1 d . .
H51A H 0.677(3) 0.188(5) 0.057(2) 0.080 Uiso 1 d . .
H51B H 0.598(3) 0.219(4) 0.037(2) 0.080 Uiso 1 d . .
H52A H 0.720(3) 0.354(5) 0.036(2) 0.080 Uiso 1 d . .
H52B H 0.675(3) 0.308(4) -0.022(2) 0.080 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
Ru P3 2.3454(11) . ?
Ru P1 2.3484(10) . ?
Ru P2 2.3710(11) . ?
Ru P4 2.3746(11) . ?
Ru H34B 2.59(5) . ?
Ru H6B 2.84(5) . ?
Ru C34 3.332(5) . ?
Ru C6 3.511(5) . ?
P1 C1 1.845(4) . ?
P1 C11 1.862(4) . ?
P1 C5 1.870(4) . ?
C1 C2 1.520(6) . ?
C1 H1A 0.92(5) . ?
C1 H1B 0.87(6) . ?
C2 P2 1.849(4) . ?
C2 H2A 0.96(6) . ?
C2 H2B 0.91(5) . ?
P2 C17 1.873(4) . ?
P2 C23 1.881(4) . ?
C5 C6 1.528(6) . ?
C5 C10 1.533(6) . ?
C5 H5 0.96(6) . ?
C6 C7 1.509(7) . ?
C6 H6A 1.00(6) . ?
C6 H6B 0.99(6) . ?
C7 C8 1.518(10) . ?
C7 H7A 0.96(6) . ?
C7 H7B 0.91(6) . ?
C8 C9 1.499(9) . ?
C8 H8A 0.97(6) . ?
C8 H8B 0.98(5) . ?
C9 C10 1.526(8) . ?
C9 H9A 0.96(6) . ?
C9 H9B 0.94(6) . ?
C10 H10A 0.95(6) . ?
C10 H10B 0.95(6) . ?
C11 C16 1.513(6) . ?
C11 C12 1.541(6) . ?
C11 H11 0.97(6) . ?
C12 C13 1.525(7) . ?
C12 H12A 0.98(6) . ?
C12 H12B 0.98(6) . ?
C13 C14 1.505(7) . ?
C13 H13A 1.07(6) . ?
C13 H13B 1.02(5) . ?
C14 C15 1.518(7) . ?
C14 H14A 0.93(6) . ?
C14 H14B 1.01(6) . ?
C15 C16 1.532(7) . ?
C15 H15A 0.92(6) . ?
C15 H15B 0.92(6) . ?
C16 H16A 0.96(6) . ?
C16 H16B 1.06(5) . ?
C17 C22 1.541(6) . ?
C17 C18 1.542(6) . ?
C17 H17 0.95(6) . ?
C18 C19 1.525(7) . ?
C18 H18A 0.92(6) . ?
C18 H18B 1.04(6) . ?
C19 C20 1.492(9) . ?
C19 H19A 0.96(6) . ?
C19 H19B 0.80(6) . ?
C20 C21 1.503(8) . ?
C20 H20A 0.90(6) . ?
C20 H20B 0.84(6) . ?
C21 C22 1.540(7) . ?
C21 H21A 1.01(6) . ?
C21 H21B 0.88(6) . ?
C22 H22A 0.93(6) . ?
C22 H22B 0.95(6) . ?
C23 C28 1.509(6) . ?
C23 C24 1.528(6) . ?
C23 H23 0.97(6) . ?
C24 C25 1.532(7) . ?
C24 H24A 0.90(6) . ?
C24 H24B 0.96(6) . ?
C25 C26 1.495(8) . ?
C25 H25A 1.00(6) . ?
C25 H25B 1.06(5) . ?
C26 C27 1.506(8) . ?
C26 H26A 0.88(6) . ?
C26 H26B 1.12(6) . ?
C27 C28 1.531(7) . ?
C27 H27A 1.01(6) . ?
C27 H27B 0.97(6) . ?
C28 H28A 1.10(5) . ?
C28 H28B 1.03(5) . ?
P3 C3 1.847(4) . ?
P3 C35 1.860(5) . ?
P3 C29 1.867(4) . ?
C3 C4 1.512(6) . ?
C3 H3A 0.92(6) . ?
C3 H3B 0.93(5) . ?
C4 P4 1.858(4) . ?
C4 H4A 0.96(6) . ?
C4 H4B 0.91(5) . ?
P4 C41 1.875(4) . ?
P4 C47 1.877(4) . ?
C29 C30 1.523(6) . ?
C29 C34 1.545(6) . ?
C29 H29 0.95(6) . ?
C30 C31 1.556(8) . ?
C30 H30A 0.99(6) . ?
C30 H30B 1.01(6) . ?
C31 C32 1.481(11) . ?
C31 H31A 0.92(6) . ?
C31 H31B 0.91(6) . ?
C32 C33 1.489(9) . ?
C32 H32A 1.09(5) . ?
C32 H32B 0.90(6) . ?
C33 C34 1.533(7) . ?
C33 H33A 1.06(6) . ?
C33 H33B 1.09(6) . ?
C34 H34A 0.89(6) . ?
C34 H34B 1.14(6) . ?
C35 C36 1.520(6) . ?
C35 C40 1.528(7) . ?
C35 H35 0.98(6) . ?
C36 C37 1.529(7) . ?
C36 H36A 0.90(6) . ?
C36 H36B 0.89(6) . ?
C37 C38 1.494(8) . ?
C37 H37A 1.05(5) . ?
C37 H37B 1.00(6) . ?
C38 C39 1.497(8) . ?
C38 H38A 0.95(6) . ?
C38 H38B 1.08(6) . ?
C39 C40 1.540(8) . ?
C39 H39A 0.94(6) . ?
C39 H39B 0.88(6) . ?
C40 H40A 1.20(5) . ?
C40 H40B 1.01(6) . ?
C41 C46 1.523(6) . ?
C41 C42 1.535(6) . ?
C41 H41 0.94(6) . ?
C42 C43 1.524(7) . ?
C42 H42A 0.89(6) . ?
C42 H42B 1.00(6) . ?
C43 C44 1.492(8) . ?
C43 H43A 0.88(6) . ?
C43 H43B 0.89(6) . ?
C44 C45 1.511(8) . ?
C44 H44A 0.87(6) . ?
C44 H44B 0.87(6) . ?
C45 C46 1.520(7) . ?
C45 H45A 0.93(6) . ?
C45 H45B 0.95(6) . ?
C46 H46A 0.92(6) . ?
C46 H46B 0.99(6) . ?
C47 C52 1.523(6) . ?
C47 C48 1.535(6) . ?
C47 H47 0.97(5) . ?
C48 C49 1.522(6) . ?
C48 H48A 0.97(6) . ?
C48 H48B 0.97(6) . ?
C49 C50 1.520(8) . ?
C49 H49A 1.09(5) . ?
C49 H49B 1.04(6) . ?
C50 C51 1.515(7) . ?
C50 H50A 0.90(6) . ?
C50 H50B 1.02(6) . ?
C51 C52 1.547(7) . ?
C51 H51A 0.85(6) . ?
C51 H51B 1.03(6) . ?
C52 H52A 0.94(6) . ?
C52 H52B 1.05(5) . ?
P5 F2 1.508(7) . ?
P5 F3 1.554(3) 2_655 ?
P5 F3 1.554(3) . ?
P5 F4 1.555(6) . ?
P5 F1 1.577(3) 2_655 ?
P5 F1 1.577(3) . ?
P6 F6 1.566(4) 2_755 ?
P6 F6 1.566(4) . ?
P6 F7 1.584(3) . ?
P6 F7 1.584(3) 2_755 ?
P6 F5 1.591(4) 2_755 ?
P6 F5 1.591(4) . ?
