#------------------------------------------------------------------------------
#$Date: 2017-02-15 13:40:45 +0200 (Wed, 15 Feb 2017) $
#$Revision: 192157 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/24/4062461.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_4062461
loop_
_publ_author_name
'Wong, Wai-Yeung'
'Ting, Fai-Lung'
'Lin, Zhenyang'
_publ_section_title
;
 Activation of Tri(2-furyl)phosphine by [Ru₄(μ-H)₄(CO)₁₂]:
 The First Example of Coordinated Furyl and Furyne Ligands at
 Tetraruthenium Phosphide and Phosphinidene Clusters
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5100
_journal_page_last               5108
_journal_paper_doi               10.1021/om0341193
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C54 H46 O20 P4 Ru4'
_chemical_formula_weight         1543.07
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.445(4)
_cell_angle_beta                 101.154(4)
_cell_angle_gamma                90.597(4)
_cell_formula_units_Z            2
_cell_length_a                   11.392(2)
_cell_length_b                   11.981(2)
_cell_length_c                   22.082(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2953.9(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.735
_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_database_code               4062461
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
C1 C 0.3088(7) 0.1975(6) 0.0708(3) 0.061(2) Uani 1 1 d . . .
C2 C 0.5053(7) 0.1186(7) 0.1400(3) 0.059(2) Uani 1 1 d . . .
C3 C 0.3137(7) 0.4944(7) 0.1086(3) 0.068(3) Uani 1 1 d . . .
C4 C 0.4817(7) 0.5560(7) 0.2148(3) 0.061(2) Uani 1 1 d . . .
C5 C 0.5219(7) 0.3794(6) 0.1270(3) 0.058(2) Uani 1 1 d . . .
C6 C 0.1749(7) 0.5468(6) 0.2299(3) 0.057(2) Uani 1 1 d . . .
C7 C 0.3568(5) 0.5433(6) 0.3296(3) 0.046(2) Uani 1 1 d . . .
C8 C 0.6360(6) 0.2674(6) 0.2430(3) 0.054(2) Uani 1 1 d . . .
C9 C 0.5736(6) 0.4117(6) 0.3233(3) 0.053(2) Uani 1 1 d . . .
C10 C 0.0907(7) 0.3419(6) 0.1297(3) 0.060(2) Uani 1 1 d . . .
C11 C -0.0286(8) 0.3388(9) 0.0395(4) 0.119(4) Uani 1 1 d . . .
H11A H -0.0585 0.3269 -0.0026 0.142 Uiso 1 1 calc R . .
C12 C -0.0913(7) 0.3781(8) 0.0800(4) 0.104(4) Uani 1 1 d . . .
H12A H -0.1706 0.4004 0.0715 0.125 Uiso 1 1 calc R . .
C13 C -0.0132(7) 0.3796(7) 0.1400(4) 0.075(3) Uani 1 1 d . . .
H13A H -0.0318 0.4021 0.1778 0.090 Uiso 1 1 calc R . .
C14 C 0.3175(7) -0.0847(6) 0.1015(3) 0.069(3) Uani 1 1 d . . .
C15 C 0.3833(10) -0.1421(8) 0.0192(4) 0.114(4) Uani 1 1 d . . .
H15A H 0.4092 -0.1417 -0.0183 0.136 Uiso 1 1 calc R . .
C16 C 0.3806(11) -0.2264(9) 0.0507(5) 0.157(5) Uani 1 1 d . . .
H16A H 0.4043 -0.2978 0.0409 0.188 Uiso 1 1 calc R . .
C17 C 0.3348(11) -0.1936(8) 0.1042(5) 0.158(4) Uani 1 1 d . . .
H17A H 0.3200 -0.2395 0.1349 0.189 Uiso 1 1 calc R . .
C18 C 0.1046(7) 0.0101(7) 0.1186(3) 0.066(3) Uani 1 1 d . . .
C19 C -0.0754(9) 0.0692(9) 0.1054(5) 0.127(4) Uani 1 1 d . . .
H19A H -0.1406 0.1140 0.1081 0.152 Uiso 1 1 calc R . .
C20 C -0.0821(10) -0.0156(10) 0.0709(5) 0.141(5) Uani 1 1 d . . .
H20A H -0.1500 -0.0448 0.0445 0.170 Uiso 1 1 calc R . .
C21 C 0.0352(10) -0.0593(9) 0.0798(5) 0.154(5) Uani 1 1 d . . .
H21A H 0.0583 -0.1248 0.0616 0.185 Uiso 1 1 calc R . .
C22 C 0.2658(6) -0.0589(5) 0.2176(3) 0.053(2) Uani 1 1 d . . .
C23 C 0.3539(9) -0.1418(7) 0.2990(4) 0.090(3) Uani 1 1 d . . .
H23A H 0.4139 -0.1649 0.3306 0.108 Uiso 1 1 calc R . .
C24 C 0.2419(8) -0.1697(7) 0.2942(4) 0.083(3) Uani 1 1 d . . .
H24A H 0.2076 -0.2143 0.3198 0.099 Uiso 1 1 calc R . .
C25 C 0.1830(8) -0.1156(6) 0.2399(3) 0.068(3) Uani 1 1 d . . .
H25A H 0.1015 -0.1194 0.2233 0.082 Uiso 1 1 calc R . .
C26 C 0.0529(6) 0.2680(6) 0.3190(3) 0.048(2) Uani 1 1 d . . .
C27 C -0.0669(7) 0.1352(6) 0.3358(5) 0.091(3) Uani 1 1 d . . .
H27A H -0.1180 0.0935 0.3545 0.110 Uiso 1 1 calc R . .
C28 C -0.0395(7) 0.1046(8) 0.2838(4) 0.084(3) Uani 1 1 d . . .
H28A H -0.0660 0.0410 0.2591 0.101 Uiso 1 1 calc R . .
C29 C 0.0405(6) 0.1903(6) 0.2725(3) 0.059(2) Uani 1 1 d . . .
H29A H 0.0778 0.1920 0.2386 0.071 Uiso 1 1 calc R . .
C30 C 0.0260(6) 0.4960(6) 0.3334(3) 0.052(2) Uani 1 1 d . . .
C31 C -0.0382(7) 0.6664(7) 0.3388(4) 0.088(3) Uani 1 1 d . . .
H31A H -0.0402 0.7436 0.3451 0.106 Uiso 1 1 calc R . .
C32 C -0.1321(7) 0.6016(7) 0.3200(4) 0.086(3) Uani 1 1 d . . .
H32A H -0.2107 0.6250 0.3102 0.103 Uiso 1 1 calc R . .
C33 C -0.0947(6) 0.4906(6) 0.3171(4) 0.069(3) Uani 1 1 d . . .
H33A H -0.1427 0.4268 0.3062 0.083 Uiso 1 1 calc R . .
C34 C 0.2069(6) 0.3890(6) 0.4141(3) 0.051(2) Uani 1 1 d . . .
C35 C 0.2043(9) 0.3882(8) 0.5139(4) 0.099(4) Uani 1 1 d . . .
H35A H 0.1770 0.3902 0.5510 0.119 Uiso 1 1 calc R . .
C36 C 0.3193(8) 0.3795(7) 0.5081(4) 0.079(3) Uani 1 1 d . . .
H36A H 0.3856 0.3727 0.5396 0.094 Uiso 1 1 calc R . .
C37 C 0.3188(7) 0.3826(6) 0.4446(3) 0.064(3) Uani 1 1 d . . .
H37A H 0.3863 0.3805 0.4267 0.077 Uiso 1 1 calc R . .
C38 C 0.4221(6) 0.1199(6) 0.3874(3) 0.053(2) Uani 1 1 d . . .
C39 C 0.3312(8) 0.0337(8) 0.4523(4) 0.094(3) Uani 1 1 d . . .
H39A H 0.3173 -0.0016 0.4870 0.113 Uiso 1 1 calc R . .
C40 C 0.2507(7) 0.0566(7) 0.4052(4) 0.080(3) Uani 1 1 d . . .
H40A H 0.1695 0.0391 0.3998 0.097 Uiso 1 1 calc R . .
C41 C 0.3062(6) 0.1121(6) 0.3638(3) 0.052(2) Uani 1 1 d . . .
H41A H 0.2684 0.1388 0.3262 0.063 Uiso 1 1 calc R . .
C42 C 0.6193(6) 0.0466(5) 0.3407(3) 0.048(2) Uani 1 1 d . . .
C43 C 0.7052(10) -0.1091(8) 0.3648(5) 0.134(5) Uani 1 1 d . . .
H43A H 0.7412 -0.1671 0.3879 0.160 Uiso 1 1 calc R . .
C44 C 0.6947(8) -0.1062(8) 0.3055(5) 0.100(4) Uani 1 1 d . . .
H44A H 0.7176 -0.1608 0.2791 0.120 Uiso 1 1 calc R . .
C45 C 0.6408(6) -0.0018(7) 0.2888(4) 0.066(3) Uani 1 1 d . . .
H45A H 0.6241 0.0265 0.2496 0.080 Uiso 1 1 calc R . .
C46 C 0.6414(6) 0.2327(6) 0.4226(3) 0.050(2) Uani 1 1 d . . .
C47 C 0.8120(7) 0.3122(7) 0.4645(3) 0.080(3) Uani 1 1 d . . .
H47A H 0.8896 0.3412 0.4696 0.096 Uiso 1 1 calc R . .
C48 C 0.7475(8) 0.3110(7) 0.5079(4) 0.081(3) Uani 1 1 d . . .
H48A H 0.7709 0.3390 0.5485 0.097 Uiso 1 1 calc R . .
C49 C 0.6348(7) 0.2586(7) 0.4814(3) 0.076(3) Uani 1 1 d . . .
H49A H 0.5707 0.2455 0.5008 0.091 Uiso 1 1 calc R . .
C50 C 0.6650(10) 0.6200(13) 0.0890(5) 0.216(7) Uiso 1 1 d D . .
H50A H 0.5991 0.5702 0.0904 0.323 Uiso 1 1 calc R . .
H50B H 0.6997 0.5995 0.0539 0.323 Uiso 1 1 calc R . .
H50C H 0.6370 0.6952 0.0856 0.323 Uiso 1 1 calc R . .
C51 C 0.7537(10) 0.6127(9) 0.1445(5) 0.182(6) Uiso 1 1 d D . .
H51A H 0.7819 0.5368 0.1482 0.218 Uiso 1 1 calc R . .
H51B H 0.7186 0.6322 0.1801 0.218 Uiso 1 1 calc R . .
C52 C 0.8614(9) 0.6943(10) 0.1428(7) 0.320(12) Uiso 1 1 d D . .
H52A H 0.9363 0.6641 0.1637 0.384 Uiso 1 1 calc R . .
H52B H 0.8673 0.7091 0.1006 0.384 Uiso 1 1 calc R . .
C53 C 0.8293(9) 0.8020(8) 0.1777(5) 0.135(4) Uiso 1 1 d D . .
H53A H 0.8782 0.8659 0.1720 0.162 Uiso 1 1 calc R . .
H53B H 0.8348 0.7915 0.2215 0.162 Uiso 1 1 calc R . .
C54 C 0.6891(11) 0.8120(15) 0.1408(8) 0.297(10) Uiso 1 1 d D . .
H54A H 0.6543 0.8772 0.1564 0.445 Uiso 1 1 calc R . .
H54B H 0.6442 0.7468 0.1472 0.445 Uiso 1 1 calc R . .
H54C H 0.6874 0.8180 0.0974 0.445 Uiso 1 1 calc R . .
H1 H 0.991(3) 0.882(3) 0.4298(16) 0.000(11) Uiso 1 1 d . . .
H2 H 1.042(3) 0.935(3) 0.5088(17) 0.000(11) Uiso 1 1 d . . .
O1 O 0.2842(5) 0.2082(5) 0.0180(2) 0.085(2) Uani 1 1 d . . .
O2 O 0.5890(5) 0.0779(6) 0.1317(3) 0.097(2) Uani 1 1 d . . .
O3 O 0.2554(6) 0.5396(5) 0.0676(3) 0.111(3) Uani 1 1 d . . .
O4 O 0.5311(5) 0.6327(5) 0.2384(3) 0.088(2) Uani 1 1 d . . .
O5 O 0.5926(5) 0.3622(6) 0.0963(3) 0.106(2) Uani 1 1 d . . .
O6 O 0.1209(5) 0.6129(4) 0.2050(3) 0.087(2) Uani 1 1 d . . .
O7 O 0.4035(5) 0.6106(4) 0.3642(2) 0.0692(17) Uani 1 1 d . . .
O8 O 0.7206(4) 0.2594(5) 0.2269(2) 0.081(2) Uani 1 1 d . . .
O9 O 0.6271(4) 0.4819(4) 0.3539(2) 0.0691(18) Uani 1 1 d . . .
O10 O 0.0855(5) 0.3184(5) 0.0678(2) 0.091(2) Uani 1 1 d . . .
O11 O 0.3422(6) -0.0491(5) 0.0482(3) 0.098(2) Uani 1 1 d . . .
O12 O 0.0339(5) 0.0901(6) 0.1383(3) 0.105(2) Uani 1 1 d . . .
O13 O 0.3754(5) -0.0753(5) 0.2534(3) 0.084(2) Uani 1 1 d . . .
O14 O -0.0135(4) 0.2360(4) 0.3618(2) 0.0734(18) Uani 1 1 d . . .
O15 O 0.0650(4) 0.6035(4) 0.3478(3) 0.0757(18) Uani 1 1 d . . .
O16 O 0.1338(5) 0.3937(5) 0.4563(2) 0.0794(19) Uani 1 1 d . . .
O17 O 0.4417(5) 0.0700(5) 0.4429(2) 0.091(2) Uani 1 1 d . . .
O18 O 0.7493(4) 0.2654(4) 0.4117(2) 0.0653(17) Uani 1 1 d . . .
O19 O 0.6568(6) -0.0164(5) 0.3906(3) 0.106(2) Uani 1 1 d . . .
O20 O 0.9889(9) 0.9092(8) 0.4718(4) 0.180(4) Uiso 1 1 d . . .
P1 P 0.23046(16) 0.31875(15) 0.18183(8) 0.0418(5) Uani 1 1 d . . .
P2 P 0.26214(19) 0.01685(16) 0.15044(9) 0.0519(6) Uani 1 1 d . . .
P3 P 0.14226(16) 0.39233(16) 0.33405(8) 0.0444(5) Uani 1 1 d . . .
P4 P 0.54062(16) 0.17231(16) 0.35540(8) 0.0436(5) Uani 1 1 d . . .
Ru1 Ru 0.36014(5) 0.18602(5) 0.15530(2) 0.04209(17) Uani 1 1 d D . .
Ru2 Ru 0.40546(5) 0.42216(5) 0.17320(2) 0.04267(17) Uani 1 1 d D . .
Ru3 Ru 0.27338(5) 0.43326(5) 0.27087(2) 0.03887(16) Uani 1 1 d D . .
Ru4 Ru 0.49326(5) 0.29281(5) 0.27516(2) 0.03800(16) Uani 1 1 d D . .
H3 H 0.37463 0.33965 0.31254 0.17(4) Uiso 1 1 d . . .
H4 H 0.43509 0.16742 0.23186 0.19(4) Uiso 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 O1 1.159(8) . ?
C1 Ru1 1.855(7) . ?
C2 O2 1.118(9) . ?
C2 Ru1 1.930(8) . ?
C3 O3 1.171(9) . ?
C3 Ru2 1.851(8) . ?
C4 O4 1.126(8) . ?
C4 Ru2 1.925(8) . ?
C5 O5 1.163(9) . ?
C5 Ru2 1.887(8) . ?
C6 O6 1.106(8) . ?
C6 Ru3 1.917(7) . ?
C7 O7 1.140(7) . ?
C7 Ru3 1.916(6) . ?
C8 O8 1.094(8) . ?
C8 Ru4 1.919(8) . ?
C9 O9 1.147(8) . ?
C9 Ru4 1.862(7) . ?
C10 C13 1.328(10) . ?
C10 O10 1.374(8) . ?
C10 P1 1.807(7) . ?
C11 C12 1.322(13) . ?
C11 O10 1.359(10) . ?
C12 C13 1.446(11) . ?
C14 C17 1.324(12) . ?
C14 O11 1.346(9) . ?
C14 P2 1.793(8) . ?
C15 C16 1.255(13) . ?
C15 O11 1.392(11) . ?
C16 C17 1.422(14) . ?
C18 C21 1.309(11) . ?
C18 O12 1.369(10) . ?
C18 P2 1.796(8) . ?
C19 C20 1.237(14) . ?
C19 O12 1.331(10) . ?
C20 C21 1.422(15) . ?
C22 C25 1.338(10) . ?
C22 O13 1.362(8) . ?
C22 P2 1.766(8) . ?
C23 C24 1.300(12) . ?
C23 O13 1.368(10) . ?
C24 C25 1.439(11) . ?
C26 C29 1.342(9) . ?
C26 O14 1.384(9) . ?
C26 P3 1.778(7) . ?
C27 C28 1.286(12) . ?
C27 O14 1.396(9) . ?
C28 C29 1.427(11) . ?
C30 C33 1.353(9) . ?
C30 O15 1.362(8) . ?
C30 P3 1.824(7) . ?
C31 C32 1.304(11) . ?
C31 O15 1.389(9) . ?
C32 C33 1.403(11) . ?
C34 C37 1.325(9) . ?
C34 O16 1.365(8) . ?
C34 P3 1.780(7) . ?
C35 C36 1.346(13) . ?
C35 O16 1.371(9) . ?
C36 C37 1.403(10) . ?
C38 C41 1.323(9) . ?
C38 O17 1.366(8) . ?
C38 P4 1.763(8) . ?
C39 C40 1.287(11) . ?
C39 O17 1.384(10) . ?
C40 C41 1.394(11) . ?
C42 C45 1.329(10) . ?
C42 O19 1.364(8) . ?
C42 P4 1.810(7) . ?
C43 C44 1.295(14) . ?
C43 O19 1.393(12) . ?
C44 C45 1.430(12) . ?
C46 C49 1.340(9) . ?
C46 O18 1.354(8) . ?
C46 P4 1.809(6) . ?
C47 C48 1.318(11) . ?
C47 O18 1.341(8) . ?
C48 C49 1.430(11) . ?
C50 C51 1.436(12) . ?
C51 C52 1.568(13) . ?
C52 C53 1.558(13) . ?
C53 C54 1.655(12) . ?
P1 Ru1 2.315(2) . ?
P1 Ru3 2.3177(18) . ?
P1 Ru2 2.379(2) . ?
P2 Ru1 2.292(2) . ?
P3 Ru3 2.295(2) . ?
P4 Ru4 2.3195(19) . ?
Ru1 Ru2 2.8675(9) . ?
Ru1 Ru4 3.0099(8) . ?
Ru2 Ru4 2.8159(8) . ?
Ru2 Ru3 2.8581(9) . ?
Ru3 Ru4 3.0207(9) . ?
