#------------------------------------------------------------------------------
#$Date: 2017-02-15 13:40:45 +0200 (Wed, 15 Feb 2017) $
#$Revision: 192157 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/24/4062456.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_4062456
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            'C34 H22 O16 P2 Ru4'
_chemical_formula_weight         1152.74
_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                94.9460(10)
_cell_angle_beta                 97.2530(10)
_cell_angle_gamma                107.2810(10)
_cell_formula_units_Z            2
_cell_length_a                   9.3836(6)
_cell_length_b                   14.6876(10)
_cell_length_c                   15.6481(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2025.3(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.890
_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               4062456
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 0.9884(4) 0.8926(2) 0.92630(19) 0.0549(7) Uani 1 1 d . . .
C2 C 0.6780(4) 0.8197(2) 0.9539(2) 0.0603(8) Uani 1 1 d . . .
C3 C 0.8817(4) 0.7090(2) 0.9672(2) 0.0610(8) Uani 1 1 d . . .
C4 C 0.4444(4) 0.6607(2) 0.7572(3) 0.0694(10) Uani 1 1 d . . .
C5 C 0.5668(5) 0.6185(2) 0.6158(2) 0.0702(10) Uani 1 1 d . . .
C6 C 1.0069(4) 0.6277(3) 0.8190(2) 0.0593(8) Uani 1 1 d . . .
C7 C 1.0285(4) 0.6876(2) 0.6530(2) 0.0586(7) Uani 1 1 d . . .
C8 C 1.1525(3) 0.8136(3) 0.8092(2) 0.0592(8) Uani 1 1 d . . .
C9 C 0.7452(4) 0.8143(2) 0.58824(19) 0.0525(7) Uani 1 1 d . . .
C10 C 0.5604(3) 0.8491(2) 0.69471(19) 0.0479(6) Uani 1 1 d . . .
C11 C 0.3566(3) 0.4233(2) 0.7246(2) 0.0530(7) Uani 1 1 d . . .
C12 C 0.1183(5) 0.3989(4) 0.7307(5) 0.124(2) Uani 1 1 d . . .
H12 H 0.0302 0.4041 0.7491 0.148 Uiso 1 1 calc R . .
C13 C 0.1208(5) 0.3458(4) 0.6641(5) 0.124(2) Uani 1 1 d . . .
H13 H 0.0377 0.3056 0.6257 0.149 Uiso 1 1 calc R . .
C14 C 0.2746(5) 0.3591(4) 0.6588(3) 0.0986(15) Uani 1 1 d . . .
H14 H 0.3115 0.3281 0.6164 0.118 Uiso 1 1 calc R . .
C15 C 0.5905(4) 0.4470(2) 0.8594(2) 0.0571(7) Uani 1 1 d . . .
C16 C 0.7365(9) 0.4422(5) 0.9767(4) 0.155(3) Uani 1 1 d . . .
H16 H 0.8237 0.4534 1.0169 0.186 Uiso 1 1 calc R . .
C17 C 0.6083(10) 0.3968(4) 0.9883(3) 0.130(3) Uani 1 1 d . . .
H17 H 0.5830 0.3676 1.0371 0.156 Uiso 1 1 calc R . .
C18 C 0.5059(7) 0.3976(4) 0.9123(3) 0.1084(17) Uani 1 1 d . . .
H18 H 0.4015 0.3693 0.9021 0.130 Uiso 1 1 calc R . .
C19 C 0.6284(3) 0.4087(2) 0.6864(2) 0.0518(6) Uani 1 1 d . . .
C20 C 0.6524(7) 0.2733(4) 0.6345(4) 0.1114(18) Uani 1 1 d . . .
H20 H 0.6444 0.2084 0.6257 0.134 Uiso 1 1 calc R . .
C21 C 0.7236(5) 0.3362(4) 0.5903(3) 0.0879(13) Uani 1 1 d . . .
H21 H 0.7733 0.3250 0.5447 0.105 Uiso 1 1 calc R . .
C22 C 0.7123(4) 0.4284(3) 0.6248(2) 0.0683(9) Uani 1 1 d . . .
H22 H 0.7549 0.4881 0.6074 0.082 Uiso 1 1 calc R . .
C23 C 0.8005(3) 1.07402(19) 0.78881(19) 0.0475(6) Uani 1 1 d . . .
C24 C 0.7676(6) 1.2056(4) 0.8462(4) 0.1018(16) Uani 1 1 d . . .
H24 H 0.7727 1.2697 0.8576 0.122 Uiso 1 1 calc R . .
C25 C 0.6966(6) 1.1380(5) 0.8865(3) 0.0961(15) Uani 1 1 d . . .
H25 H 0.6422 1.1450 0.9310 0.115 Uiso 1 1 calc R . .
C26 C 0.7163(5) 1.0491(3) 0.8506(2) 0.0716(9) Uani 1 1 d . . .
H26 H 0.6786 0.9883 0.8670 0.086 Uiso 1 1 calc R . .
C27 C 0.8401(3) 1.04715(19) 0.61483(18) 0.0486(6) Uani 1 1 d . . .
C28 C 0.7019(6) 1.0627(3) 0.4977(3) 0.0906(13) Uani 1 1 d . . .
H28 H 0.6184 1.0598 0.4573 0.109 Uiso 1 1 calc R . .
C29 C 0.8415(6) 1.1001(3) 0.4871(3) 0.0869(13) Uani 1 1 d . . .
H29 H 0.8747 1.1278 0.4390 0.104 Uiso 1 1 calc R . .
C30 C 0.9334(5) 1.0906(3) 0.5629(2) 0.0703(9) Uani 1 1 d . . .
H30 H 1.0385 1.1109 0.5741 0.084 Uiso 1 1 calc R . .
C31 C 1.0701(3) 1.0536(2) 0.7446(2) 0.0494(6) Uani 1 1 d . . .
C32 C 1.3035(4) 1.0579(3) 0.7428(4) 0.0957(15) Uani 1 1 d . . .
H32 H 1.3869 1.0395 0.7320 0.115 Uiso 1 1 calc R . .
C33 C 1.3106(4) 1.1394(3) 0.7841(3) 0.0854(12) Uani 1 1 d . . .
H33 H 1.3978 1.1898 0.8067 0.103 Uiso 1 1 calc R . .
C34 C 1.1594(4) 1.1374(3) 0.7883(3) 0.0847(12) Uani 1 1 d . . .
H34 H 1.1286 1.1852 0.8161 0.102 Uiso 1 1 calc R . .
H1 H 0.938(4) 0.826(2) 0.713(2) 0.056(9) Uiso 1 1 d . . .
H2 H 0.757(4) 0.857(2) 0.820(2) 0.065(10) Uiso 1 1 d . . .
H3 H 0.679(4) 0.668(3) 0.852(2) 0.076(11) Uiso 1 1 d . . .
H4 H 0.800(4) 0.629(3) 0.712(2) 0.069(10) Uiso 1 1 d . . .
O1 O 1.0911(3) 0.95756(19) 0.94909(18) 0.0836(8) Uani 1 1 d . . .
O2 O 0.5988(4) 0.8438(3) 0.9919(2) 0.1043(11) Uani 1 1 d . . .
O3 O 0.9206(4) 0.6678(2) 1.01863(19) 0.0995(10) Uani 1 1 d . . .
O4 O 0.3341(3) 0.6696(2) 0.7729(3) 0.1301(16) Uani 1 1 d . . .
O5 O 0.5280(5) 0.6005(2) 0.54296(19) 0.1303(16) Uani 1 1 d . . .
O6 O 1.0364(4) 0.5697(2) 0.8536(2) 0.0986(10) Uani 1 1 d . . .
O7 O 1.0673(4) 0.6641(3) 0.5923(2) 0.1098(11) Uani 1 1 d . . .
O8 O 1.2682(3) 0.8629(2) 0.8403(2) 0.0917(9) Uani 1 1 d . . .
O9 O 0.7431(4) 0.8049(2) 0.51513(15) 0.0901(9) Uani 1 1 d . . .
O10 O 0.4439(3) 0.8589(2) 0.68202(19) 0.0765(7) Uani 1 1 d . . .
O11 O 0.6935(3) 1.0279(2) 0.57623(16) 0.0748(7) Uani 1 1 d . . .
O12 O 0.8347(4) 1.17046(18) 0.7841(2) 0.0915(9) Uani 1 1 d . . .
O13 O 1.1567(3) 1.00253(19) 0.7172(2) 0.0912(9) Uani 1 1 d . . .
O14 O 0.2621(3) 0.4487(2) 0.7734(3) 0.1071(11) Uani 1 1 d . . .
O15 O 0.5898(4) 0.31275(19) 0.6958(2) 0.1004(10) Uani 1 1 d . . .
O16 O 0.7339(4) 0.4741(3) 0.8969(3) 0.1440(18) Uani 1 1 d . . .
P1 P 0.55567(8) 0.48438(5) 0.75423(4) 0.04094(14) Uani 1 1 d . . .
P2 P 0.86850(7) 1.00038(5) 0.71646(4) 0.03894(14) Uani 1 1 d . . .
Ru1 Ru 0.81551(2) 0.782779(14) 0.886477(12) 0.03835(6) Uani 1 1 d . . .
Ru2 Ru 0.62851(2) 0.646177(13) 0.736027(12) 0.03509(6) Uani 1 1 d . . .
Ru3 Ru 0.96232(2) 0.724371(14) 0.758146(13) 0.03776(6) Uani 1 1 d . . .
Ru4 Ru 0.75473(2) 0.835948(13) 0.709171(12) 0.03339(6) 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 O1 1.129(4) . ?
C1 Ru1 1.907(3) . ?
C2 O2 1.124(4) . ?
C2 Ru1 1.932(3) . ?
C3 O3 1.135(4) . ?
C3 Ru1 1.895(3) . ?
C4 O4 1.134(4) . ?
C4 Ru2 1.869(3) . ?
C5 O5 1.135(4) . ?
C5 Ru2 1.869(3) . ?
C6 O6 1.131(4) . ?
C6 Ru3 1.893(3) . ?
C7 O7 1.123(4) . ?
C7 Ru3 1.921(3) . ?
C8 O8 1.131(4) . ?
C8 Ru3 1.900(3) . ?
C9 O9 1.137(4) . ?
C9 Ru4 1.878(3) . ?
C10 O10 1.139(3) . ?
C10 Ru4 1.878(3) . ?
C11 C14 1.321(5) . ?
C11 O14 1.351(4) . ?
C11 P1 1.795(3) . ?
C12 C13 1.253(8) . ?
C12 O14 1.380(6) . ?
C13 C14 1.412(6) . ?
C15 O16 1.325(5) . ?
C15 C18 1.330(5) . ?
C15 P1 1.801(3) . ?
C16 C17 1.235(10) . ?
C16 O16 1.370(6) . ?
C17 C18 1.434(8) . ?
C19 C22 1.318(5) . ?
C19 O15 1.373(4) . ?
C19 P1 1.805(3) . ?
C20 C21 1.280(7) . ?
C20 O15 1.360(6) . ?
C21 C22 1.452(6) . ?
C23 C26 1.332(4) . ?
C23 O12 1.367(4) . ?
C23 P2 1.800(3) . ?
C24 C25 1.284(7) . ?
C24 O12 1.366(6) . ?
C25 C26 1.449(6) . ?
C27 C30 1.331(4) . ?
C27 O11 1.367(4) . ?
C27 P2 1.806(3) . ?
C28 C29 1.299(7) . ?
C28 O11 1.374(4) . ?
C29 C30 1.418(6) . ?
C31 C34 1.335(5) . ?
C31 O13 1.342(4) . ?
C31 P2 1.798(3) . ?
C32 C33 1.289(6) . ?
C32 O13 1.363(4) . ?
C33 C34 1.420(5) . ?
P1 Ru2 2.3231(7) . ?
P2 Ru4 2.3184(7) . ?
Ru1 Ru3 2.7875(3) . ?
Ru1 Ru2 2.9492(3) . ?
Ru1 Ru4 2.9785(3) . ?
Ru2 Ru4 2.7775(3) . ?
Ru2 Ru3 2.9616(3) . ?
Ru3 Ru4 2.9671(3) . ?
