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#$Date: 2016-03-21 06:29:39 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178514 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/17/4061776.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_4061776
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050643t
_journal_year                    2005
_chemical_formula_sum            'C30 H45 B F4 O2 Ru3'
_chemical_formula_weight         827.68
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.597(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9242(11)
_cell_length_b                   21.3124(13)
_cell_length_c                   10.3496(8)
_cell_measurement_temperature    153(2)
_cell_volume                     3065.3(4)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.794
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4061776
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
C1 C 0.3435(6) 0.4427(4) -0.9284(7) 0.0346(11) Uani 1 1 d . . .
C2 C 0.3031(6) 0.5021(4) -0.9636(7) 0.0346(11) Uani 1 1 d . . .
C3 C 0.3056(6) 0.5532(4) -0.8661(7) 0.0346(11) Uani 1 1 d . . .
C4 C 0.3470(6) 0.5391(4) -0.7364(7) 0.0349(19) Uani 1 1 d . . .
C5 C 0.3823(7) 0.4779(4) -0.7060(7) 0.0330(19) Uani 1 1 d . . .
C6 C 0.3800(6) 0.4299(4) -0.8005(8) 0.0331(19) Uani 1 1 d . . .
C7 C 0.3475(8) 0.3930(5) -1.0321(10) 0.060(3) Uani 1 1 d . . .
H7A H 0.4139 0.3781 -1.0358 0.090 Uiso 1 1 calc R . .
H7B H 0.3256 0.4109 -1.1160 0.090 Uiso 1 1 calc R . .
H7C H 0.3058 0.3578 -1.0115 0.090 Uiso 1 1 calc R . .
C8 C 0.2591(8) 0.5189(8) -1.0945(8) 0.074(4) Uani 1 1 d . . .
H8A H 0.1940 0.5352 -1.0862 0.111 Uiso 1 1 calc R . .
H8B H 0.2561 0.4814 -1.1497 0.111 Uiso 1 1 calc R . .
H8C H 0.2985 0.5510 -1.1336 0.111 Uiso 1 1 calc R . .
C9 C 0.2715(8) 0.6163(5) -0.9060(13) 0.066(3) Uani 1 1 d . . .
H9A H 0.2818 0.6227 -0.9979 0.100 Uiso 1 1 calc R . .
H9B H 0.3073 0.6481 -0.8543 0.100 Uiso 1 1 calc R . .
H9C H 0.2027 0.6200 -0.8924 0.100 Uiso 1 1 calc R . .
C10 C 0.3447(9) 0.5905(5) -0.6353(11) 0.067(3) Uani 1 1 d . . .
H10A H 0.3390 0.6314 -0.6784 0.100 Uiso 1 1 calc R . .
H10B H 0.4042 0.5892 -0.5795 0.100 Uiso 1 1 calc R . .
H10C H 0.2894 0.5840 -0.5827 0.100 Uiso 1 1 calc R . .
C11 C 0.4286(8) 0.4632(5) -0.5727(8) 0.056(3) Uani 1 1 d . . .
H11A H 0.4273 0.5007 -0.5180 0.083 Uiso 1 1 calc R . .
H11B H 0.4955 0.4500 -0.5807 0.083 Uiso 1 1 calc R . .
H11C H 0.3930 0.4292 -0.5333 0.083 Uiso 1 1 calc R . .
C12 C 0.4142(9) 0.3647(5) -0.7685(12) 0.062(3) Uani 1 1 d . . .
H12A H 0.4824 0.3659 -0.7392 0.093 Uiso 1 1 calc R . .
H12B H 0.4056 0.3382 -0.8457 0.093 Uiso 1 1 calc R . .
H12C H 0.3768 0.3474 -0.6996 0.093 Uiso 1 1 calc R . .
C13 C 0.7397(6) 0.5745(4) -0.6724(6) 0.0309(10) Uani 1 1 d . . .
C14 C 0.6542(6) 0.6022(4) -0.6226(7) 0.0309(10) Uani 1 1 d . . .
H14A H 0.6266 0.5839 -0.5499 0.037 Uiso 1 1 calc R . .
C15 C 0.6119(7) 0.6558(4) -0.6812(7) 0.034(2) Uani 1 1 d . . .
H15A H 0.5585 0.6744 -0.6431 0.041 Uiso 1 1 calc R . .
C16 C 0.6451(7) 0.6831(4) -0.7931(7) 0.037(2) Uani 1 1 d . . .
C17 C 0.7302(6) 0.6567(4) -0.8424(7) 0.0309(10) Uani 1 1 d . . .
H17A H 0.7578 0.6759 -0.9141 0.037 Uiso 1 1 calc R . .
C18 C 0.7730(6) 0.6031(4) -0.7864(6) 0.0309(10) Uani 1 1 d . . .
H18A H 0.8264 0.5850 -0.8256 0.037 Uiso 1 1 calc R . .
C19 C 0.7885(6) 0.5180(4) -0.6145(7) 0.0314(18) Uani 1 1 d . . .
H19A H 0.8260 0.4979 -0.6827 0.038 Uiso 1 1 calc R . .
C20 C 0.7196(7) 0.4687(4) -0.5656(8) 0.038(2) Uani 1 1 d . . .
H20A H 0.6731 0.4566 -0.6362 0.058 Uiso 1 1 calc R . .
H20B H 0.6853 0.4862 -0.4941 0.058 Uiso 1 1 calc R . .
H20C H 0.7563 0.4317 -0.5353 0.058 Uiso 1 1 calc R . .
C21 C 0.8612(7) 0.5408(5) -0.5042(8) 0.048(2) Uani 1 1 d . . .
H21A H 0.9050 0.5717 -0.5387 0.071 Uiso 1 1 calc R . .
H21B H 0.8984 0.5050 -0.4690 0.071 Uiso 1 1 calc R . .
H21C H 0.8261 0.5601 -0.4353 0.071 Uiso 1 1 calc R . .
C22 C 0.5916(9) 0.7371(4) -0.8602(9) 0.055(3) Uani 1 1 d . . .
H22A H 0.5962 0.7335 -0.9540 0.083 Uiso 1 1 calc R . .
H22B H 0.6202 0.7769 -0.8300 0.083 Uiso 1 1 calc R . .
H22C H 0.5238 0.7358 -0.8400 0.083 Uiso 1 1 calc R . .
C23 C 0.5701(7) 0.6001(4) -1.2342(7) 0.0358(19) Uani 1 1 d . . .
C24 C 0.6669(6) 0.5865(4) -1.2018(6) 0.0342(13) Uani 1 1 d . . .
H24A H 0.7121 0.6194 -1.1864 0.041 Uiso 1 1 calc R . .
C25 C 0.6968(6) 0.5228(4) -1.1923(7) 0.0342(13) Uani 1 1 d . . .
H25A H 0.7620 0.5136 -1.1668 0.041 Uiso 1 1 calc R . .
C26 C 0.6335(8) 0.4740(4) -1.2191(7) 0.038(2) Uani 1 1 d . . .
H26A H 0.6558 0.4319 -1.2160 0.046 Uiso 1 1 calc R . .
C27 C 0.5338(7) 0.4870(4) -1.2516(6) 0.035(2) Uani 1 1 d . . .
H27A H 0.4890 0.4536 -1.2639 0.042 Uiso 1 1 calc R . .
C28 C 0.5033(7) 0.5491(5) -1.2650(6) 0.046(2) Uani 1 1 d . . .
H28A H 0.4387 0.5581 -1.2943 0.055 Uiso 1 1 calc R . .
C29 C 0.5349(7) 0.6696(5) -1.2205(8) 0.049(2) Uani 1 1 d . . .
H29A H 0.5863 0.6957 -1.1751 0.058 Uiso 1 1 calc R . .
C30 C 0.5100(6) 0.6952(3) -1.3568(7) 0.0445(19) Uani 1 1 d . . .
H30A H 0.5626 0.6858 -1.4124 0.067 Uiso 1 1 calc R . .
H30B H 0.5008 0.7407 -1.3525 0.067 Uiso 1 1 calc R . .
H30C H 0.4506 0.6754 -1.3927 0.067 Uiso 1 1 calc R . .
C31 C -0.1290(7) 0.9262(4) -0.3232(8) 0.037(2) Uani 1 1 d . . .
C32 C -0.1228(6) 0.8763(4) -0.2318(7) 0.0347(19) Uani 1 1 d . . .
C33 C -0.1625(6) 0.8154(4) -0.2653(8) 0.037(2) Uani 1 1 d . . .
C34 C -0.1959(6) 0.8051(5) -0.3959(8) 0.0453(13) Uani 1 1 d . . .
C35 C -0.2006(6) 0.8531(5) -0.4865(8) 0.0453(13) Uani 1 1 d . . .
C36 C -0.1634(6) 0.9123(5) -0.4514(8) 0.0453(13) Uani 1 1 d . . .
C37 C -0.0914(8) 0.9912(5) -0.2866(12) 0.066(3) Uani 1 1 d . . .
H37A H -0.0264 0.9964 -0.3166 0.099 Uiso 1 1 calc R . .
H37B H -0.0893 0.9961 -0.1923 0.099 Uiso 1 1 calc R . .
H37C H -0.1341 1.0231 -0.3273 0.099 Uiso 1 1 calc R . .
C38 C -0.0807(8) 0.8896(7) -0.0942(9) 0.065(3) Uani 1 1 d . . .
H38A H -0.0281 0.9200 -0.0974 0.097 Uiso 1 1 calc R . .
H38B H -0.0561 0.8505 -0.0548 0.097 Uiso 1 1 calc R . .
H38C H -0.1310 0.9068 -0.0423 0.097 Uiso 1 1 calc R . .
C39 C -0.1601(10) 0.7649(7) -0.1615(13) 0.087(5) Uani 1 1 d . . .
H39A H -0.1231 0.7800 -0.0840 0.131 Uiso 1 1 calc R . .
H39B H -0.1298 0.7270 -0.1938 0.131 Uiso 1 1 calc R . .
H39C H -0.2260 0.7552 -0.1398 0.131 Uiso 1 1 calc R . .
C40 C -0.2256(10) 0.7384(6) -0.4323(16) 0.094(5) Uani 1 1 d . . .
H40A H -0.2256 0.7127 -0.3539 0.141 Uiso 1 1 calc R . .
H40B H -0.1800 0.7209 -0.4909 0.141 Uiso 1 1 calc R . .
H40C H -0.2903 0.7388 -0.4754 0.141 Uiso 1 1 calc R . .
C41 C -0.2357(7) 0.8404(8) -0.6263(10) 0.086(4) Uani 1 1 d . . .
H41A H -0.1971 0.8648 -0.6844 0.129 Uiso 1 1 calc R . .
H41B H -0.3034 0.8527 -0.6394 0.129 Uiso 1 1 calc R . .
H41C H -0.2292 0.7956 -0.6451 0.129 Uiso 1 1 calc R . .
C42 C -0.1619(10) 0.9636(7) -0.5548(12) 0.086(5) Uani 1 1 d . . .
H42A H -0.1568 0.9443 -0.6400 0.129 Uiso 1 1 calc R . .
H42B H -0.1065 0.9912 -0.5357 0.129 Uiso 1 1 calc R . .
H42C H -0.2213 0.9882 -0.5547 0.129 Uiso 1 1 calc R . .
C43 C 0.2368(6) 0.7894(4) -0.1888(7) 0.0365(12) Uani 1 1 d . . .
C44 C 0.2723(6) 0.7607(4) -0.3019(7) 0.0365(12) Uani 1 1 d . . .
H44A H 0.3259 0.7784 -0.3412 0.044 Uiso 1 1 calc R . .
C45 C 0.2263(7) 0.7047(4) -0.3562(8) 0.0365(12) Uani 1 1 d . . .
H45A H 0.2505 0.6856 -0.4304 0.044 Uiso 1 1 calc R . .
C46 C 0.1486(8) 0.6791(4) -0.3018(8) 0.049(3) Uani 1 1 d . . .
C47 C 0.1099(7) 0.7067(4) -0.1901(8) 0.039(2) Uani 1 1 d . . .
H47A H 0.0562 0.6887 -0.1516 0.047 Uiso 1 1 calc R . .
C48 C 0.1551(6) 0.7626(3) -0.1384(6) 0.0272(15) Uani 1 1 d . . .
H48A H 0.1284 0.7823 -0.0666 0.033 Uiso 1 1 calc R . .
C49 C 0.2875(6) 0.8473(4) -0.1318(7) 0.0324(19) Uani 1 1 d . . .
H49A H 0.3232 0.8677 -0.2014 0.039 Uiso 1 1 calc R . .
C50 C 0.3615(6) 0.8259(5) -0.0233(8) 0.041(2) Uani 1 1 d . . .
H50A H 0.3277 0.8130 0.0525 0.062 Uiso 1 1 calc R . .
H50B H 0.4051 0.8608 0.0005 0.062 Uiso 1 1 calc R . .
H50C H 0.3987 0.7905 -0.0541 0.062 Uiso 1 1 calc R . .
C51 C 0.2189(8) 0.8948(4) -0.0816(9) 0.046(2) Uani 1 1 d . . .
H51A H 0.1729 0.9078 -0.1521 0.069 Uiso 1 1 calc R . .
H51B H 0.2551 0.9315 -0.0484 0.069 Uiso 1 1 calc R . .
H51C H 0.1841 0.8761 -0.0118 0.069 Uiso 1 1 calc R . .
C52 C 0.0975(11) 0.6232(4) -0.3632(11) 0.076(4) Uani 1 1 d . . .
H52A H 0.0327 0.6357 -0.3961 0.114 Uiso 1 1 calc R . .
H52B H 0.0927 0.5900 -0.2985 0.114 Uiso 1 1 calc R . .
H52C H 0.1337 0.6078 -0.4348 0.114 Uiso 1 1 calc R . .
C53 C 0.0689(7) 0.7717(4) -0.7746(8) 0.042(2) Uani 1 1 d . . .
C54 C 0.0080(6) 0.8226(4) -0.7896(7) 0.040(2) Uani 1 1 d . . .
H54A H -0.0575 0.8166 -0.8183 0.048 Uiso 1 1 calc R . .
C55 C 0.0437(7) 0.8846(4) -0.7620(6) 0.0326(19) Uani 1 1 d . . .
H55A H 0.0010 0.9193 -0.7697 0.039 Uiso 1 1 calc R . .
C56 C 0.1382(7) 0.8943(4) -0.7248(8) 0.037(2) Uani 1 1 d . . .
H56A H 0.1623 0.9358 -0.7140 0.045 Uiso 1 1 calc R . .
C57 C 0.2003(7) 0.8422(5) -0.7023(7) 0.044(2) Uani 1 1 d . . .
H57A H 0.2646 0.8483 -0.6685 0.053 Uiso 1 1 calc R . .
C58 C 0.1662(7) 0.7818(4) -0.7300(7) 0.0378(19) Uani 1 1 d . . .
H58A H 0.2086 0.7471 -0.7189 0.045 Uiso 1 1 calc R . .
C59 C 0.0374(8) 0.7063(5) -0.8121(12) 0.071(3) Uani 1 1 d . . .
H59A H 0.0887 0.6874 -0.8631 0.085 Uiso 1 1 calc R . .
C60 C 0.0249(13) 0.6680(6) -0.7084(13) 0.107(6) Uani 1 1 d . . .
H60A H -0.0242 0.6859 -0.6554 0.161 Uiso 1 1 calc R . .
H60B H 0.0858 0.6642 -0.6562 0.161 Uiso 1 1 calc R . .
H60C H 0.0041 0.6264 -0.7393 0.161 Uiso 1 1 calc R . .
B1 B 0.9539(8) 0.5610(5) -1.0572(12) 0.049(3) Uani 1 1 d . . .
B2 B 0.4543(9) 0.8056(5) -0.6007(11) 0.048(3) Uani 1 1 d . . .
F1 F 0.8973(6) 0.6137(4) -1.0774(9) 0.1044(13) Uani 1 1 d . . .
F2 F 1.0416(6) 0.5791(4) -1.0114(9) 0.1044(13) Uani 1 1 d . . .
F3 F 0.9556(6) 0.5306(3) -1.1736(9) 0.1044(13) Uani 1 1 d . . .
F4 F 0.9155(6) 0.5204(4) -0.9783(9) 0.1044(13) Uani 1 1 d . . .
F5 F 0.4088(4) 0.8402(3) -0.5096(6) 0.0637(15) Uani 1 1 d . . .
F6 F 0.4481(7) 0.8413(3) -0.7164(6) 0.097(2) Uani 1 1 d . . .
F7 F 0.5499(3) 0.7958(2) -0.5634(6) 0.0573(14) Uani 1 1 d . . .
F8 F 0.4087(4) 0.7501(2) -0.6258(6) 0.0704(19) Uani 1 1 d . . .
O1 O 0.5064(4) 0.5923(2) -0.9540(4) 0.0241(12) Uani 1 1 d . . .
O2 O 0.4505(4) 0.6709(3) -1.1526(6) 0.0562(15) Uani 1 1 d . . .
H2A H 0.4131 0.6424 -1.1806 0.067 Uiso 1 1 calc R . .
O3 O 0.0083(4) 0.7676(2) -0.4753(4) 0.0246(12) Uani 1 1 d . . .
O4 O -0.0463(7) 0.7128(4) -0.8959(9) 0.115(4) Uani 1 1 d . . .
H4A H -0.0624 0.6775 -0.9264 0.138 Uiso 1 1 calc R . .
Ru1 Ru 0.45146(4) 0.51503(2) -0.87735(5) 0.02031(13) Uani 1 1 d . . .
H2 H 0.5261 0.4797 -0.9898 0.050 Uiso 1 1 d . . .
H1 H 0.5485 0.5208 -0.7817 0.050 Uiso 1 1 d . . .
Ru2 Ru 0.61982(4) 0.58228(2) -0.82709(5) 0.02107(14) Uani 1 1 d . . .
H3 H 0.6754 0.5229 -0.8988 0.050 Uiso 1 1 d . . .
Ru3 Ru 0.57549(4) 0.53568(2) -1.07043(5) 0.01954(13) Uani 1 1 d . . .
Ru4 Ru -0.05069(4) 0.84300(2) -0.39925(5) 0.02223(14) Uani 1 1 d . . .
H5 H 0.0236 0.8776 -0.5118 0.050 Uiso 1 1 d . . .
Ru5 Ru 0.11878(4) 0.77929(2) -0.34536(5) 0.02208(14) Uani 1 1 d . . .
H6 H 0.1605 0.8207 -0.4658 0.050 Uiso 1 1 d . . .
H4 H 0.1013 0.8306 -0.3010 0.050 Uiso 1 1 d . . .
Ru6 Ru 0.07595(4) 0.82690(2) -0.58931(5) 0.02090(14) Uani 1 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
C1 C6 1.414(11) . ?
C1 C2 1.423(11) . ?
C1 C7 1.511(12) . ?
C1 Ru1 2.195(8) . ?
C2 C3 1.483(11) . ?
C2 C8 1.495(10) . ?
C2 Ru1 2.216(7) . ?
C3 C4 1.459(10) . ?
C3 C9 1.477(13) . ?
C3 Ru1 2.198(8) . ?
C4 C5 1.422(12) . ?
C4 C10 1.516(11) . ?
C4 Ru1 2.185(9) . ?
C5 C6 1.415(12) . ?
C5 C11 1.519(11) . ?
C5 Ru1 2.216(8) . ?
C6 C12 1.499(13) . ?
C6 Ru1 2.240(9) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.432(11) . ?
C13 C14 1.452(12) . ?
C13 C19 1.489(11) . ?
C13 Ru2 2.246(6) . ?
C14 C15 1.405(10) . ?
C14 Ru2 2.182(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.400(12) . ?
C15 Ru2 2.184(7) . ?
C15 H15A 0.9500 . ?
C16 C17 1.434(13) . ?
C16 C22 1.517(11) . ?
C16 Ru2 2.201(7) . ?
C17 C18 1.397(11) . ?
C17 Ru2 2.220(8) . ?
C17 H17A 0.9500 . ?
C18 Ru2 2.194(8) . ?
C18 H18A 0.9500 . ?
C19 C20 1.530(12) . ?
C19 C21 1.557(10) . ?
C19 H19A 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.399(12) . ?
C23 C28 1.453(13) . ?
C23 C29 1.569(12) . ?
C23 Ru3 2.179(7) . ?
C24 C25 1.421(13) . ?
C24 Ru3 2.204(9) . ?
C24 H24A 0.9500 . ?
C25 C26 1.381(13) . ?
C25 Ru3 2.188(9) . ?
C25 H25A 0.9500 . ?
C26 C27 1.434(13) . ?
C26 Ru3 2.214(8) . ?
C26 H26A 0.9500 . ?
C27 C28 1.394(12) . ?
C27 Ru3 2.189(7) . ?
C27 H27A 0.9500 . ?
C28 Ru3 2.212(6) . ?
C28 H28A 0.9500 . ?
C29 O2 1.407(11) . ?
C29 C30 1.531(10) . ?
C29 H29A 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C36 1.413(12) . ?
C31 C32 1.423(12) . ?
C31 C37 1.520(13) . ?
C31 Ru4 2.250(8) . ?
C32 C33 1.445(12) . ?
C32 C38 1.532(11) . ?
C32 Ru4 2.176(9) . ?
C33 C34 1.419(12) . ?
C33 C39 1.519(12) . ?
C33 Ru4 2.228(8) . ?
C34 C35 1.387(13) . ?
C34 C40 1.520(14) . ?
C34 Ru4 2.180(9) . ?
C35 C36 1.403(13) . ?
C35 C41 1.522(12) . ?
C35 Ru4 2.233(8) . ?
C36 C42 1.532(13) . ?
C36 Ru4 2.197(9) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C48 1.402(12) . ?
C43 C44 1.435(11) . ?
C43 C49 1.523(11) . ?
C43 Ru5 2.244(7) . ?
C44 C45 1.452(12) . ?
C44 Ru5 2.193(8) . ?
C44 H44A 0.9500 . ?
C45 C46 1.364(14) . ?
C45 Ru5 2.191(8) . ?
C45 H45A 0.9500 . ?
C46 C47 1.432(14) . ?
C46 C52 1.507(12) . ?
C46 Ru5 2.216(8) . ?
C47 C48 1.434(11) . ?
C47 Ru5 2.240(8) . ?
C47 H47A 0.9500 . ?
C48 Ru5 2.199(6) . ?
C48 H48A 0.9500 . ?
C49 C51 1.506(13) . ?
C49 C50 1.545(9) . ?
C49 H49A 1.0000 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.380(12) . ?
C53 C58 1.420(13) . ?
C53 C59 1.504(12) . ?
C53 Ru6 2.247(7) . ?
C54 C55 1.434(12) . ?
C54 Ru6 2.226(6) . ?
C54 H54A 0.9500 . ?
C55 C56 1.363(13) . ?
C55 Ru6 2.192(7) . ?
C55 H55A 0.9500 . ?
C56 C57 1.418(14) . ?
C56 Ru6 2.222(8) . ?
C56 H56A 0.9500 . ?
C57 C58 1.395(12) . ?
C57 Ru6 2.173(9) . ?
C57 H57A 0.9500 . ?
C58 Ru6 2.202(9) . ?
C58 H58A 0.9500 . ?
C59 C60 1.368(16) . ?
C59 O4 1.416(12) . ?
C59 H59A 1.0000 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
B1 F4 1.326(14) . ?
B1 F2 1.338(13) . ?
B1 F3 1.370(14) . ?
B1 F1 1.380(13) . ?
B2 F8 1.361(11) . ?
B2 F7 1.378(13) . ?
B2 F5 1.382(13) . ?
B2 F6 1.418(12) . ?
O1 Ru3 1.994(5) . ?
O1 Ru1 2.001(5) . ?
O1 Ru2 2.001(4) . ?
O2 H2A 0.8400 . ?
O3 Ru4 1.990(5) . ?
O3 Ru5 1.994(4) . ?
O3 Ru6 2.004(5) . ?
O4 H4A 0.8400 . ?
Ru1 Ru3 2.7572(9) . ?
Ru1 Ru2 2.7690(8) . ?
Ru1 H2 1.7757 . ?
Ru1 H1 1.6288 . ?
Ru2 Ru3 2.7413(7) . ?
Ru2 H1 1.7270 . ?
Ru2 H3 1.6803 . ?
Ru3 H2 1.6324 . ?
Ru4 Ru6 2.7444(9) . ?
Ru4 Ru5 2.7491(9) . ?
Ru4 H5 1.7669 . ?
Ru5 Ru6 2.7515(7) . ?
Ru5 H6 1.6616 . ?
Ru5 H4 1.2165 . ?
Ru6 H5 1.5543 . ?
Ru6 H6 1.6878 . ?
