#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:31:07 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178516 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/19/4061931.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_4061931
loop_
_publ_author_name
'Aneetha, Halikhedkar'
'Jiménez-Tenorio, Manuel'
'Puerta, M. Carmen'
'Valerga, Pedro'
'Mereiter, Kurt'
_publ_section_title
;
Structure and Dynamics of Half-Sandwich Ruthenium(IV) Alkynyl Hydrido Complexes
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2001
_journal_page_last               2013
_journal_paper_doi               10.1021/om020940n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C28 H53 O2 P2 Ru 1+, C32 H12 B F24 1-'
_chemical_formula_sum            'C60 H65 B F24 O2 P2 Ru'
_chemical_formula_weight         1447.94
_chemical_name_common
'[(Cp*)Ru(H)(P(Me)(iPr)2)2(-CC-COOMe)][B(Ph(CF3)2)4]'
_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                 99.55(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.667(4)
_cell_length_b                   19.062(5)
_cell_length_c                   18.852(4)
_cell_measurement_temperature    297(2)
_cell_volume                     6615(3)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.454
_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               4061931
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
Ru Ru 0.253207(14) 0.801574(14) 0.340752(14) 0.04583(10) Uani 1 1 d D . .
H1RU H 0.1856(11) 0.8368(17) 0.3265(19) 0.064(10) Uiso 1 1 d D . .
P1 P 0.16748(6) 0.72124(6) 0.37321(5) 0.0607(3) Uani 1 1 d . . .
P2 P 0.25395(6) 0.89980(5) 0.41961(5) 0.0626(3) Uani 1 1 d . . .
C1 C 0.2498(3) 0.8302(3) 0.2237(2) 0.0825(13) Uani 1 1 d . . .
C2 C 0.2504(3) 0.7575(3) 0.2293(2) 0.0850(15) Uani 1 1 d . . .
C3 C 0.3161(3) 0.7371(2) 0.2735(3) 0.0857(16) Uani 1 1 d . . .
C4 C 0.3566(2) 0.8001(2) 0.2923(2) 0.0721(11) Uani 1 1 d . . .
C5 C 0.3154(3) 0.8560(2) 0.2593(2) 0.0690(11) Uani 1 1 d . . .
C1A C 0.1946(4) 0.8716(5) 0.1713(3) 0.158(4) Uani 1 1 d . . .
H1AA H 0.2102 0.8735 0.1253 0.238 Uiso 1 1 calc R . .
H1AB H 0.1908 0.9183 0.1893 0.238 Uiso 1 1 calc R . .
H1AC H 0.1482 0.8489 0.1664 0.238 Uiso 1 1 calc R . .
C2A C 0.1987(5) 0.7082(5) 0.1820(3) 0.175(4) Uani 1 1 d . . .
H2AA H 0.2155 0.7012 0.1371 0.262 Uiso 1 1 calc R . .
H2AB H 0.1509 0.7285 0.1731 0.262 Uiso 1 1 calc R . .
H2AC H 0.1970 0.6639 0.2059 0.262 Uiso 1 1 calc R . .
C3A C 0.3471(5) 0.6642(3) 0.2862(5) 0.159(4) Uani 1 1 d . . .
H3AA H 0.3714 0.6512 0.2471 0.238 Uiso 1 1 calc R . .
H3AB H 0.3086 0.6316 0.2892 0.238 Uiso 1 1 calc R . .
H3AC H 0.3812 0.6635 0.3303 0.238 Uiso 1 1 calc R . .
C4A C 0.4341(3) 0.8013(4) 0.3289(4) 0.130(3) Uani 1 1 d . . .
H4AA H 0.4655 0.8001 0.2933 0.195 Uiso 1 1 calc R . .
H4AB H 0.4436 0.7612 0.3598 0.195 Uiso 1 1 calc R . .
H4AC H 0.4431 0.8434 0.3569 0.195 Uiso 1 1 calc R . .
C5A C 0.3451(4) 0.9286(3) 0.2496(3) 0.130(3) Uani 1 1 d . . .
H5AA H 0.3677 0.9294 0.2075 0.195 Uiso 1 1 calc R . .
H5AB H 0.3802 0.9406 0.2910 0.195 Uiso 1 1 calc R . .
H5AC H 0.3060 0.9620 0.2442 0.195 Uiso 1 1 calc R . .
C11 C 0.1377(3) 0.7422(3) 0.4579(2) 0.0785(12) Uani 1 1 d . . .
H11A H 0.1032 0.7078 0.4679 0.118 Uiso 1 1 calc R . .
H11B H 0.1155 0.7878 0.4546 0.118 Uiso 1 1 calc R . .
H11C H 0.1789 0.7422 0.4960 0.118 Uiso 1 1 calc R . .
C12 C 0.0807(3) 0.7107(4) 0.3108(3) 0.107(2) Uani 1 1 d . . .
H12 H 0.0919 0.6857 0.2686 0.128 Uiso 1 1 calc R . .
C13 C 0.0448(3) 0.7790(4) 0.2838(4) 0.128(2) Uani 1 1 d . . .
H13A H 0.0004 0.7693 0.2518 0.192 Uiso 1 1 calc R . .
H13B H 0.0769 0.8050 0.2586 0.192 Uiso 1 1 calc R . .
H13C H 0.0345 0.8062 0.3238 0.192 Uiso 1 1 calc R . .
C14 C 0.0261(4) 0.6649(5) 0.3430(4) 0.167(4) Uani 1 1 d . . .
H14A H -0.0181 0.6609 0.3090 0.250 Uiso 1 1 calc R . .
H14B H 0.0160 0.6862 0.3864 0.250 Uiso 1 1 calc R . .
H14C H 0.0465 0.6191 0.3537 0.250 Uiso 1 1 calc R . .
C15 C 0.2065(3) 0.6294(2) 0.3883(3) 0.0877(14) Uani 1 1 d . . .
H15 H 0.2586 0.6349 0.3878 0.105 Uiso 1 1 calc R . .
C16 C 0.1814(4) 0.5769(3) 0.3302(4) 0.138(3) Uani 1 1 d . . .
H16A H 0.2042 0.5325 0.3430 0.208 Uiso 1 1 calc R . .
H16B H 0.1942 0.5928 0.2857 0.208 Uiso 1 1 calc R . .
H16C H 0.1296 0.5718 0.3248 0.208 Uiso 1 1 calc R . .
C17 C 0.2018(4) 0.5990(3) 0.4620(3) 0.117(2) Uani 1 1 d . . .
H17A H 0.2226 0.5528 0.4658 0.175 Uiso 1 1 calc R . .
H17B H 0.1519 0.5965 0.4681 0.175 Uiso 1 1 calc R . .
H17C H 0.2281 0.6286 0.4986 0.175 Uiso 1 1 calc R . .
C21 C 0.2442(3) 0.8823(3) 0.5128(2) 0.0891(15) Uani 1 1 d . . .
H21A H 0.2454 0.9258 0.5387 0.134 Uiso 1 1 calc R . .
H21B H 0.2834 0.8529 0.5349 0.134 Uiso 1 1 calc R . .
H21C H 0.1988 0.8591 0.5139 0.134 Uiso 1 1 calc R . .
C22 C 0.3396(4) 0.9517(3) 0.4334(3) 0.1035(19) Uani 1 1 d . . .
H22 H 0.3523 0.9589 0.3855 0.124 Uiso 1 1 calc R . .
C23 C 0.4017(4) 0.9119(4) 0.4758(4) 0.146(3) Uani 1 1 d . . .
H23A H 0.4447 0.9404 0.4818 0.219 Uiso 1 1 calc R . .
H23B H 0.4099 0.8696 0.4507 0.219 Uiso 1 1 calc R . .
H23C H 0.3902 0.9002 0.5222 0.219 Uiso 1 1 calc R . .
C24 C 0.3318(5) 1.0254(3) 0.4646(4) 0.163(4) Uani 1 1 d . . .
H24A H 0.3778 1.0491 0.4703 0.244 Uiso 1 1 calc R . .
H24B H 0.3164 1.0214 0.5105 0.244 Uiso 1 1 calc R . .
H24C H 0.2965 1.0517 0.4324 0.244 Uiso 1 1 calc R . .
C25 C 0.1816(3) 0.9668(3) 0.3968(3) 0.0947(16) Uani 1 1 d . . .
H25 H 0.1914 1.0033 0.4337 0.114 Uiso 1 1 calc R . .
C26 C 0.1055(3) 0.9387(3) 0.4006(4) 0.125(2) Uani 1 1 d . . .
H26A H 0.0705 0.9755 0.3884 0.188 Uiso 1 1 calc R . .
H26B H 0.1037 0.9224 0.4485 0.188 Uiso 1 1 calc R . .
H26C H 0.0944 0.9006 0.3673 0.188 Uiso 1 1 calc R . .
C27 C 0.1841(5) 1.0020(4) 0.3262(4) 0.145(3) Uani 1 1 d . . .
H27A H 0.1459 1.0361 0.3170 0.218 Uiso 1 1 calc R . .
H27B H 0.1778 0.9675 0.2886 0.218 Uiso 1 1 calc R . .
H27C H 0.2302 1.0248 0.3279 0.218 Uiso 1 1 calc R . .
C31 C 0.30909(19) 0.7599(2) 0.4310(2) 0.0570(9) Uani 1 1 d . . .
C32 C 0.3423(2) 0.7327(2) 0.4840(2) 0.0722(11) Uani 1 1 d . . .
C33 C 0.3791(2) 0.7046(2) 0.5506(2) 0.0715(11) Uani 1 1 d . . .
O1 O 0.3537(2) 0.7006(3) 0.6041(2) 0.1344(18) Uani 1 1 d . . .
O2 O 0.44525(17) 0.6834(2) 0.54634(18) 0.0931(10) Uani 1 1 d . . .
C34 C 0.4865(3) 0.6532(4) 0.6104(3) 0.1133(19) Uani 1 1 d . . .
H34A H 0.5337 0.6399 0.6011 0.170 Uiso 1 1 calc R . .
H34B H 0.4617 0.6125 0.6240 0.170 Uiso 1 1 calc R . .
H34C H 0.4917 0.6870 0.6486 0.170 Uiso 1 1 calc R . .
B B 0.23983(18) 0.30396(18) 0.3462(2) 0.0428(8) Uani 1 1 d . . .
C41 C 0.15809(16) 0.29684(16) 0.36729(17) 0.0429(7) Uani 1 1 d . . .
C42 C 0.12529(18) 0.23336(17) 0.37739(18) 0.0488(7) Uani 1 1 d . . .
H42 H 0.1476 0.1922 0.3660 0.059 Uiso 1 1 calc R . .
C43 C 0.06004(19) 0.22885(18) 0.40404(19) 0.0543(8) Uani 1 1 d . A .
C44 C 0.02514(19) 0.28876(19) 0.4213(2) 0.0577(9) Uani 1 1 d . . .
H44 H -0.0186 0.2861 0.4385 0.069 Uiso 1 1 calc R . .
C45 C 0.05700(19) 0.35269(19) 0.4121(2) 0.0568(9) Uani 1 1 d . B .
C46 C 0.12174(18) 0.35630(18) 0.38560(19) 0.0515(8) Uani 1 1 d . . .
H46 H 0.1418 0.4002 0.3798 0.062 Uiso 1 1 calc R . .
C47 C 0.0259(3) 0.1582(2) 0.4115(3) 0.0802(13) Uani 1 1 d . . .
C48 C 0.0212(3) 0.4174(3) 0.4312(4) 0.0905(16) Uani 1 1 d . . .
C51 C 0.29177(17) 0.31712(17) 0.42414(18) 0.0464(7) Uani 1 1 d . . .
C52 C 0.32117(19) 0.38187(19) 0.44843(19) 0.0537(8) Uani 1 1 d . . .
H52 H 0.3122 0.4207 0.4183 0.064 Uiso 1 1 calc R . .
C53 C 0.3633(2) 0.3905(2) 0.5159(2) 0.0613(9) Uani 1 1 d . C .
C54 C 0.3764(2) 0.3347(2) 0.5626(2) 0.0659(10) Uani 1 1 d . . .
H54 H 0.4053 0.3401 0.6074 0.079 Uiso 1 1 calc R . .
C55 C 0.3456(2) 0.2700(2) 0.5415(2) 0.0611(9) Uani 1 1 d . . .
C56 C 0.30487(19) 0.26246(19) 0.47424(18) 0.0531(8) Uani 1 1 d . . .
H56 H 0.2849 0.2187 0.4613 0.064 Uiso 1 1 calc R . .
C57 C 0.3930(3) 0.4613(3) 0.5392(3) 0.0875(15) Uani 1 1 d . . .
C58 C 0.3571(3) 0.2089(3) 0.5905(3) 0.0912(15) Uani 1 1 d . . .
C61 C 0.24529(17) 0.36726(16) 0.28874(17) 0.0436(7) Uani 1 1 d . . .
C62 C 0.18574(18) 0.39293(18) 0.24123(18) 0.0505(8) Uani 1 1 d . . .
H62 H 0.1397 0.3759 0.2444 0.061 Uiso 1 1 calc R . .
C63 C 0.19287(19) 0.4431(2) 0.18929(19) 0.0568(8) Uani 1 1 d . D .
C64 C 0.2604(2) 0.47024(19) 0.18349(19) 0.0573(9) Uani 1 1 d . . .
H64 H 0.2653 0.5044 0.1494 0.069 Uiso 1 1 calc R . .
C65 C 0.32017(18) 0.44547(17) 0.22939(18) 0.0500(8) Uani 1 1 d . E .
C66 C 0.31246(17) 0.39494(17) 0.27968(18) 0.0468(7) Uani 1 1 d . . .
H66 H 0.3540 0.3784 0.3091 0.056 Uiso 1 1 calc R . .
C67 C 0.1276(3) 0.4683(4) 0.1405(3) 0.0979(17) Uani 1 1 d . . .
C68 C 0.3947(2) 0.4734(2) 0.2253(2) 0.0662(10) Uani 1 1 d . . .
C71 C 0.26388(16) 0.23428(16) 0.30556(17) 0.0445(7) Uani 1 1 d . . .
C72 C 0.33382(17) 0.20539(17) 0.32079(18) 0.0470(7) Uani 1 1 d . . .
H72 H 0.3663 0.2231 0.3594 0.056 Uiso 1 1 calc R . .
C73 C 0.35632(18) 0.15136(18) 0.2805(2) 0.0527(8) Uani 1 1 d . F .
C74 C 0.3102(2) 0.12317(19) 0.2234(2) 0.0573(9) Uani 1 1 d . . .
H74 H 0.3251 0.0865 0.1969 0.069 Uiso 1 1 calc R . .
C75 C 0.24067(19) 0.15070(19) 0.20631(19) 0.0558(8) Uani 1 1 d . G .
C76 C 0.21876(18) 0.20466(17) 0.24689(18) 0.0495(8) Uani 1 1 d . . .
H76 H 0.1718 0.2220 0.2345 0.059 Uiso 1 1 calc R . .
C77 C 0.4324(2) 0.1241(2) 0.2987(3) 0.0698(11) Uani 1 1 d . . .
C78 C 0.1895(2) 0.1214(3) 0.1444(2) 0.0741(11) Uani 1 1 d . . .
F47A F -0.0301(3) 0.1585(2) 0.4410(4) 0.161(3) Uani 0.837(6) 1 d P A 1
F47B F 0.0729(3) 0.1122(2) 0.4442(3) 0.1282(18) Uani 0.837(6) 1 d P A 1
F47C F 0.0070(3) 0.1259(2) 0.3475(3) 0.150(2) Uani 0.837(6) 1 d P A 1
F47D F 0.0586(11) 0.1101(11) 0.4035(11) 0.0726(18) Uiso 0.163(6) 1 d P A 2
F47E F -0.0379(10) 0.1567(9) 0.3829(10) 0.0726(18) Uiso 0.163(6) 1 d P A 2
F47F F 0.0217(10) 0.1588(9) 0.4890(8) 0.0726(18) Uiso 0.163(6) 1 d P A 2
F48A F -0.0389(2) 0.4096(2) 0.4546(4) 0.146(3) Uani 0.840(5) 1 d P B 1
F48B F 0.0649(3) 0.4606(3) 0.4697(5) 0.180(3) Uani 0.840(5) 1 d P B 1
F48C F -0.0020(5) 0.4563(4) 0.3713(5) 0.201(4) Uani 0.840(5) 1 d P B 1
F48D F 0.0448(12) 0.4743(11) 0.4172(11) 0.0726(18) Uiso 0.160(5) 1 d P B 2
F48E F -0.0366(11) 0.4292(9) 0.3985(11) 0.0726(18) Uiso 0.160(5) 1 d P B 2
F48F F 0.0192(10) 0.4139(8) 0.5072(8) 0.0726(18) Uiso 0.160(5) 1 d P B 2
F57A F 0.4596(3) 0.4574(3) 0.5764(4) 0.183(3) Uani 0.898(5) 1 d P C 1
F57B F 0.3984(3) 0.5038(2) 0.4870(2) 0.137(2) Uani 0.898(5) 1 d P C 1
F57C F 0.3551(4) 0.4936(2) 0.5813(4) 0.170(3) Uani 0.898(5) 1 d P C 1
F57D F 0.3425(14) 0.5124(13) 0.5253(16) 0.0726(18) Uiso 0.102(5) 1 d P C 2
F57E F 0.4129(19) 0.4630(15) 0.6059(15) 0.0726(18) Uiso 0.102(5) 1 d P C 2
F57F F 0.4457(15) 0.4720(14) 0.5105(17) 0.0726(18) Uiso 0.102(5) 1 d P C 2
F58A F 0.3859(2) 0.22393(18) 0.65700(15) 0.1246(13) Uani 1 1 d . . .
F58B F 0.2987(3) 0.1735(3) 0.5920(3) 0.209(3) Uani 1 1 d . . .
F58C F 0.4025(3) 0.1627(2) 0.5694(2) 0.1598(19) Uani 1 1 d . . .
F67A F 0.1369(4) 0.4721(8) 0.0734(4) 0.198(7) Uani 0.78(2) 1 d P D 1
F67B F 0.0792(3) 0.4210(4) 0.1208(4) 0.177(4) Uani 0.900(17) 1 d P D 1
F67C F 0.0767(3) 0.4933(5) 0.1769(4) 0.178(5) Uani 0.783(18) 1 d P D 1
F67D F 0.1307(4) 0.5354(5) 0.1253(7) 0.159(6) Uani 0.67(2) 1 d P D 2
F68A F 0.39495(19) 0.5220(3) 0.1762(3) 0.1279(18) Uani 0.884(4) 1 d P E 1
F68B F 0.44097(19) 0.4246(2) 0.2177(3) 0.1293(19) Uani 0.884(4) 1 d P E 1
F68C F 0.42310(19) 0.5058(2) 0.2853(2) 0.1048(13) Uani 0.884(4) 1 d P E 1
F68D F 0.4496(13) 0.4491(14) 0.2652(13) 0.0726(18) Uiso 0.116(4) 1 d P E 2
F68E F 0.4027(12) 0.5318(12) 0.2323(16) 0.0726(18) Uiso 0.116(4) 1 d P E 2
F68F F 0.4098(12) 0.4572(13) 0.1573(12) 0.0726(18) Uiso 0.116(4) 1 d P E 2
F77A F 0.4523(3) 0.0887(5) 0.2451(3) 0.172(4) Uani 0.761(6) 1 d P F 1
F77B F 0.48018(19) 0.1709(3) 0.3166(6) 0.180(4) Uani 0.761(6) 1 d P F 1
F77C F 0.4404(2) 0.0779(4) 0.3488(4) 0.155(3) Uani 0.761(6) 1 d P F 1
F77D F 0.4627(7) 0.1379(8) 0.3661(6) 0.0726(18) Uiso 0.239(6) 1 d P F 2
F77E F 0.4397(6) 0.0606(6) 0.2936(9) 0.0726(18) Uiso 0.239(6) 1 d P F 2
F77F F 0.4738(6) 0.1490(8) 0.2599(7) 0.0726(18) Uiso 0.239(6) 1 d P F 2
F78A F 0.2182(2) 0.0782(4) 0.1040(3) 0.166(3) Uani 0.854(6) 1 d P G 1
F78B F 0.1550(4) 0.1700(3) 0.1028(3) 0.168(3) Uani 0.854(6) 1 d P G 1
F78C F 0.1350(2) 0.0871(3) 0.1649(2) 0.1237(17) Uani 0.854(6) 1 d P G 1
F78D F 0.1265(11) 0.1330(13) 0.1425(12) 0.0726(18) Uiso 0.146(6) 1 d P G 2
F78E F 0.1932(11) 0.0524(10) 0.1423(10) 0.0726(18) Uiso 0.146(6) 1 d P G 2
F78F F 0.2040(11) 0.1413(13) 0.0839(10) 0.0726(18) Uiso 0.146(6) 1 d P G 2
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 C31 2.006(4) . ?
Ru C3 2.235(3) . ?
Ru C2 2.256(4) . ?
Ru C1 2.264(4) . ?
Ru C4 2.268(4) . ?
Ru C5 2.318(4) . ?
Ru P1 2.3675(11) . ?
Ru P2 2.3894(11) . ?
P1 C11 1.821(4) . ?
P1 C12 1.848(6) . ?
P1 C15 1.899(5) . ?
P2 C21 1.827(4) . ?
P2 C25 1.856(5) . ?
P2 C22 1.862(5) . ?
C1 C5 1.385(7) . ?
C1 C2 1.392(8) . ?
C1 C1A 1.523(8) . ?
C2 C3 1.418(7) . ?
C2 C2A 1.524(7) . ?
C3 C4 1.433(6) . ?
C3 C3A 1.508(7) . ?
C4 C5 1.398(6) . ?
C4 C4A 1.496(7) . ?
C5 C5A 1.514(6) . ?
C12 C13 1.513(9) . ?
C12 C14 1.541(8) . ?
C15 C16 1.499(7) . ?
C15 C17 1.522(7) . ?
C22 C23 1.501(9) . ?
C22 C24 1.539(8) . ?
C25 C27 1.498(8) . ?
C25 C26 1.531(8) . ?
C31 C32 1.202(5) . ?
C32 C33 1.431(6) . ?
C33 O1 1.186(5) . ?
C33 O2 1.315(5) . ?
O2 C34 1.440(6) . ?
B C71 1.633(5) . ?
B C61 1.636(5) . ?
B C51 1.639(5) . ?
B C41 1.645(4) . ?
C41 C42 1.383(4) . ?
C41 C46 1.393(4) . ?
C42 C43 1.395(5) . ?
C43 C44 1.380(5) . ?
C43 C47 1.505(6) . ?
C44 C45 1.379(5) . ?
C45 C46 1.384(5) . ?
C45 C48 1.475(5) . ?
C47 F47D 1.13(2) . ?
C47 F47E 1.224(17) . ?
C47 F47A 1.262(6) . ?
C47 F47B 1.320(6) . ?
C47 F47C 1.348(7) . ?
C47 F47F 1.477(16) . ?
C48 F48E 1.172(18) . ?
C48 F48D 1.22(2) . ?
C48 F48A 1.279(5) . ?
C48 F48B 1.295(7) . ?
C48 F48C 1.360(9) . ?
C48 F48F 1.441(16) . ?
C51 C52 1.397(5) . ?
C51 C56 1.400(5) . ?
C52 C53 1.389(5) . ?
C53 C54 1.377(6) . ?
C53 C57 1.497(6) . ?
C54 C55 1.390(6) . ?
C55 C56 1.373(5) . ?
C55 C58 1.481(6) . ?
C57 F57F 1.22(3) . ?
C57 F57E 1.25(3) . ?
C57 F57B 1.292(6) . ?
C57 F57C 1.303(7) . ?
C57 F57A 1.324(7) . ?
C57 F57D 1.35(3) . ?
C58 F58B 1.287(7) . ?
C58 F58A 1.311(5) . ?
C58 F58C 1.329(7) . ?
C61 C66 1.397(4) . ?
C61 C62 1.395(5) . ?
C62 C63 1.390(5) . ?
C63 C64 1.384(5) . ?
C63 C67 1.480(6) . ?
C64 C65 1.377(5) . ?
C65 C66 1.376(5) . ?
C65 C68 1.504(5) . ?
C67 F67B 1.287(8) . ?
C67 F67A 1.306(9) . ?
C67 F67D 1.314(9) . ?
C67 F67C 1.349(9) . ?
C68 F68E 1.13(2) . ?
C68 F68D 1.26(2) . ?
C68 F68B 1.293(5) . ?
C68 F68A 1.311(5) . ?
C68 F68C 1.320(5) . ?
C68 F68F 1.39(2) . ?
C71 C76 1.394(5) . ?
C71 C72 1.402(4) . ?
C72 C73 1.386(5) . ?
C73 C74 1.371(5) . ?
C73 C77 1.498(5) . ?
C74 C75 1.387(5) . ?
C75 C76 1.384(5) . ?
C75 C78 1.490(6) . ?
C77 F77E 1.222(12) . ?
C77 F77F 1.243(12) . ?
C77 F77B 1.267(6) . ?
C77 F77C 1.282(6) . ?
C77 F77A 1.318(6) . ?
C77 F77D 1.329(12) . ?
C78 F78D 1.191(19) . ?
C78 F78F 1.273(19) . ?
C78 F78A 1.296(5) . ?
C78 F78B 1.312(6) . ?
C78 F78E 1.317(19) . ?
C78 F78C 1.320(6) . ?
F48D F48E 1.73(3) . ?
F67B F67C 1.743(9) . ?
