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and In the title triangulo-triruthenium compound, [Ru3(C25H22As2)(C18H33P)(CO)9], the bis­(diphenyl­arsino)methane ligand bridges an Ru-Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. All three cyclo­hexane rings are disordered over two positions with site occupancies of 0.628&(6) and 0.372&(6). The mean planes of these three phosphine-substituted cyclo­hexane rings make dihedral angles of 53.0&(8), 68.3&(6) and 89.9&(7)& (major components), and 46.7&(14), 41.3&(11) and 75.8&(10)& (minor components) with each other. The dihedral angles between the two phenyl rings are 85.0&(2) and 88.1&(2)& for the two diphenyl­arsino groups. Two cyclo­hexane rings adopt a chair conformation whereas the other adopts a slightly twisted chair conformation for
these conformations are similiar for the minor components. Intra­molecular C-HO hydrogen bonds stabilize the mol­ecular structure. In the crystal packing, the mol­ecules are linked together into chains via inter­molecular C-HO hydrogen bonds down the a axis. Weak inter­molecular C-H inter­actions further stabilize the crystal structure.Crystallographic Information File (CIF)
Contains datablocks global, IStructure factor file (CIF format)
Contains datablock I
Key indicators
Single-crystal X-ray study
Mean (C-C) = 0.007 &A
Disorder in main residue
R factor = 0.046
wR factor = 0.099
Data-to-parameter ratio =
checkCIF/PLATON results
No syntax errors found
Alert level C
Large Non-Solvent
Ueq(max)/Ueq(min) ...
3.87 Ratio
Large Non-Solvent
Ueq(max)/Ueq(min) ...
3.41 Ratio
Hirshfeld Test Diff (M-X)
Check High
Ueq as Compared to Neighbors for
Check High
Ueq as Compared to Neighbors for
Ueq as Compared to Neighbors for
Ueq as Compared to Neighbors for
Short Inter X...Y Contact
Short Inter X...Y Contact
Structure Contains Solvent Accessible VOIDS of .
32.00 A&&&3
Missing # of FCF Reflections Below Th(Min) .....
Missing # of Very Strong Reflections in FCF ....
Alert level G
Note: Main Residue
Disorder ...................
18.00 Perc.
Note: Number of Least-Squares Restraints .......
Number of Intensities with I .LT. - 2*sig(I) ..
No ADDSYM Analysis: Too Many Excluded Atoms ....
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
12 ALERT level C = Check and explain
4 ALERT level G = G check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
9 ALERT type 2 Indicator that the structure model may be wrong or deficient
6 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
1 ALERT type 5 Informative message, check
Tri-angulotriruthenium clusters are known for their interesting structural
variations and related catalytic activity. A large number of substituted
derivatives, Ru3(CO)12-nLn (L = group 15 ligand) have been
reported (Bruce et al., a,b).
As part of our study on the substitution of transition metal-carbonyl
clusters with mixed-ligand complexes, we have published several structures of
tri-angulotriruthenium-carbonyl clusters containing mixed P/As and P/Sb
ligands (Shawkataly et al., ,
2009a,b). Herein we
report the synthesis and structure of
Ru3(C18H33P)(C25H22As2)(CO)9.The bond lengths and angles of title compound (Fig. 1 & 2) are comparable to
those in related structures (Shawkataly et al.,
2009a,b). The
bis(diphenylarsino)methane ligand bridges the Ru1—Ru2 bond and the
monodentate phosphine ligand bonds to the Ru3 atom. Both the phosphine and
arsine ligands are equatorial with respect to the Ru3 triangle.
Additionally, each Ru atom carries one equatorial and two axial terminal
carbonyl ligands. All three cyclohexane rings are disordered over two
positions with site occupancies of 0.628 (6) and 0.372 (6). Only the C41, C42
and C43 atoms in the C38-C43 ring are disordered. The mean planes of these
three phosphine-substituted cyclohexane rings make dihedral angles
(C26&#–C37, C26&#–C43 and C32&#–C43) of 53.0 (8), 68.3
(6) and 89.9 (7)° with each other respectively for the major components and
46.7 (14), 41.3 (11) and 75.8 (10)° for the minor components. The dihedral
angles between the two phenyl rings (C1&#–C12 and C14&#–C25)
are 85.0 (2) and 88.1 (2)° for the two diphenylarsino groups respectively.
Four cyclohexane rings adopt a chair conformation with puckering amplitude Q =
0.555 (17) Å,
= 0.0 (18)°,
= 191 (176)° for C26A–C32A ring, Q =
0.572 (18) Å,
= 180.0 (18)°,
= 235 (45)° for C32A–C37A ring,
Q = 0.52 (3) Å,
= 10 (3)°,
= 120 (26)° for C26B–C31B
ring and Q = 0.58 (3) Å,
= 177 (3)°,
= 90 (166)° for C32B–C37B ring.
The other two cyclohexane rings (C38–C43A and C38–C43B) adopt a slightly
twisted chair conformation with Q = 0.545 (8) Å,
= 159.3 (8)°,
137 (2)° and Q = 0.465 (12) Å,
= 27.0 (14)°,
= 307 (3)°, respectively (Cremer & Pople,
1975).In the crystal packing (Fig. 3), intramolecular C31—H31B···O8 and
C32—H32A···O9 hydrogen bonds stabilize the molecular structure and the
molecules are linked together into chains via intermolecular
C43—H43B···O9 hydrogen bonds down a axis. Weak intermolecular
C—H··· interactions further stabilize the crystal structure (Table 1).
For general background to triangulo-triruthenium derivatives, see: Bruce
et al. (a,b); Shawkataly
et al. (1998,
a,b). For related structures,
see: Shawkataly et
al. (2009a,b). For the synthesis of
bis(diphenylphosphino)methane, see: Bruce et al. (1983). For
conformations, see: Cremer & Pople (1975). For the stability of the
temperature controller used for the data collection, see: Cosier & Glazer
(1986). Cg1, Cg2 and Cg3 are the centroids of the
C7–C12, C20–C25 and C1–C6 phenyl rings, respectively.
The reactions were conducted under an atmosphere of nitrogen using standard
Schlenk techniques and hexane-dried over sodium metal. Tricyclohexylphosphine
(Strem Chemicals) used as received and bis(diphenylarsino)methane (Bruce et
al., 1983) was prepared by the reported procedure. The title
compound was
obtained by refluxing equimolar quantities of
Ru3(CO)10(µ-Ph2AsCH2AsPh2) (105.5 mg, 0.1 mmol) and
tricyclohexylphosphine (27.8 mg, 0.1 mmol) in hexane
under nitrogen atmosphere. Crystals suitable for X-ray diffraction were grown
by slow solvent / solvent diffusion of CH3OH into CHCl3.
All three cyclohexane rings are disordered over two positions. The refined site
occupancies are about the same and in the final refinement these site
occupancies are made to be the same and refined to 0.628 (6) and 0.372 (6). The
same Uij parameters is used for the atom pair C26A/C26B and C32A/C32B. The
C26A–C37B atoms were subjected to rigid bond and similarity restraints. All
hydrogen atoms were positioned geometrically and refined using a riding model
with C—H = 0.93&# Å and Uiso(H) = 1.2 Ueq(C).
Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).
The molecular structure of the title compound with 30% probability
ellipsoids for non-H atoms. Only the major components are shown.
The molecular structure of the title compound with 30% probability
ellipsoids for non-H atoms. Only the minor components are shown.
The crystal packing of the title compound, viewed down the c
axis, showing the molecules linked down a axis. Hydrogen atoms that not
involved in the hydrogen-bonding (dashed lines) have been omitted for clarity.
Only the major components are shown.
[Ru3(C25H22As2)(C18H33P)(CO)9]F(000) = 5216Mr = 1307.98Dx = 1.693 Mg m3Orthorhombic, PbcaMo K radiation,
= 0.71073 ÅHall symbol:
-P 2ac 2abCell parameters from 9061 reflectionsa = 15.6489 (2) Å = 2.3&#°b = 20.9223 (3) ŵ = 2.24 mm1c = 31.3447 (5) ÅT = 100 KV = )
Å3Plate, redZ = 80.30 × 0.14 × 0.04 mm
Bruker SMART APEXII CCD area-detector diffractometer11768 independent reflectionsRadiation source: fine-focus sealed tube8148 reflections with I > 2(I)Graphite monochromatorRint = 0.092 and
scansmax = 27.5°, min = 2.1°Absorption correction: multi-scan (SADABS; Bruker, 2005)h = 1720Tmin = 0.555, Tmax = 0.922k = 272762224 measured reflectionsl = 3440
Refinement on F2Primary atom site location: structure-invariant direct methodsLeast-squares matrix: fullSecondary atom site location: difference Fourier mapR[F2 > 2(F2)] = 0.046Hydrogen site location: inferred from neighbouring siteswR(F2) = 0.099H-atom parameters constrainedS = 1.01
w = 1/[2(Fo2) + (0.0381P)2]
where P = (Fo2 + 2Fc2)/311768 reflections(Δ/)max = 0.001728 parametersΔmax = 0.84 e Å3379 restraintsΔmin = 0.61 e Å3
[Ru3(C25H22As2)(C18H33P)(CO)9]V = )
Å3Mr = 1307.98Z = 8Orthorhombic, PbcaMo K radiationa = 15.6489 (2) ŵ = 2.24 mm1b = 20.9223 (3) ÅT = 100 Kc = 31.3447 (5) Å0.30 × 0.14 × 0.04 mm
Bruker SMART APEXII CCD area-detector diffractometer11768 independent reflectionsAbsorption correction: multi-scan (SADABS; Bruker, 2005)8148 reflections with I > 2(I)Tmin = 0.555, Tmax = 0.922Rint = 0.09262224 measured reflections
R[F2 > 2(F2)] = 0.046379 restraintswR(F2) = 0.099H-atom parameters constrainedS = 1.01Δmax = 0.84 e Å311768 reflectionsΔmin = 0.61 e Å3728 parameters
Experimental. The crystal was placed in the cold stream of an Oxford Cyrosystems Cobra
open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K.
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F2, conventional
R-factors R are based on F, with F set to zero for
negative F2. The threshold expression of F2 >
(F2) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F2 are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
xyzUiso*/UeqOcc. (&1)Ru10.78575 (2)0.)0.)0.01745 (9)Ru20.76356 (2)0.)0.)0.01658 (9)Ru30.86145 (2)0.)0.)0.02083 (10)As10.70760 (3)0.25391 (2)0.)0.01608 (11)As20.65368 (3)0.40103 (2)0.)0.01603 (11)P10.95236 (9)0.26464 (7)0.03344 (4)0.0311 (3)O10.9585 (2)0.28141 (15)0.19389 (12)0.0305 (8)O20.8418 (2)0.11900 (15)0.14390 (12)0.0379 (9)O30.6058 (2)0.24373 (17)0.11196 (12)0.0403 (10)O40.9075 (2)0.41492 (15)0.20650 (12)0.0336 (9)O50.7950 (2)0.52994 (15)0.11409 (11)0.0335 (9)O60.6264 (2)0.37817 (17)0.07316 (12)0.0396 (10)O71.0200 (3)0.3757 (2)0.12621 (13)0.0594 (13)O80.8284 (3)0.44135 (18)0.02666 (14)0.0682 (15)O90.7173 (3)0.2515 (2)0.03533 (14)0.0651 (14)C10.7736 (3)0.25922 (19)0.26884 (14)0.0165 (10)C20.7567 (4)0.3011 (2)0.30151 (18)0.0402 (14)H2A0.71060.32900.29940.048*C30.8079 (4)0.3022 (3)0.33755 (19)0.0574 (19)H3A0.79580.33090.35940.069*C40.8763 (4)0.2614 (3)0.34129 (17)0.0386 (14)H4A0.91090.26270.36540.046*C50.8932 (3)0.2191 (2)0.30948 (17)0.0300 (12)H5A0.93890.19090.31210.036*C60.8426 (3)0.2176 (2)0.27293 (16)0.0261 (11)H6A0.85490.18870.25120.031*C70.6337 (3)0.17998 (19)0.22765 (15)0.0199 (10)C80.5879 (3)0.1771 (2)0.26535 (16)0.0229 (11)H8A0.59380.20900.28580.027*C90.5333 (3)0.1262 (2)0.27232 (17)0.0276 (12)H9A0.50250.12410.29760.033*C100.5239 (3)0.0788 (2)0.24239 (18)0.0304 (13)H10A0.48710.04480.24750.036*C110.5692 (3)0.0816 (2)0.20470 (17)0.0282 (12)H11A0.56280.04950.18440.034*C120.6248 (3)0.1325 (2)0.19694 (16)0.0216 (10)H12A0.65550.13460.17160.026*C130.6179 (3)0.31912 (18)0.22109 (15)0.0180 (10)H13A0.56730.30430.20620.022*H13B0.60310.32510.25090.022*C140.5457 (3)0.4367 (2)0.17684 (15)0.0204 (10)C150.4676 (3)0.4199 (2)0.19500 (16)0.0272 (12)H15A0.46530.38880.21620.033*C160.3936 (3)0.4497 (2)0.18139 (18)0.0372 (14)H16A0.34150.43910.19380.045*C170.3970 (3)0.4950 (2)0.14949 (17)0.0333 (13)H17A0.34700.51460.14020.040*C180.4738 (3)0.5115 (2)0.13144 (16)0.0281 (12)H18A0.47580.54180.10980.034*C190.5482 (3)0.4830 (2)0.14539 (15)0.0237 (11)H19A0.60030.49490.13360.028*C200.6707 (3)0.45555 (19)0.24663 (15)0.0181 (10)C210.7242 (3)0.5090 (2)0.24203 (16)0.0235 (11)H21A0.75430.51540.21680.028*C220.7318 (3)0.5521 (2)0.27545 (16)0.0268 (12)H22A0.76710.58760.27250.032*C230.6874 (3)0.5430 (2)0.31291 (16)0.0260 (11)H23A0.69280.57230.33500.031*C240.6351 (3)0.4907 (2)0.31771 (16)0.0274 (11)H24A0.60590.48440.34320.033*C250.6257 (3)0.4470 (2)0.28446 (15)0.0212 (10)H25A0.58940.41210.28760.025*C26A0.9933 (11)0.3072 (5)0.0121 (6)0.024 (2)0.628 (6)H26A1.02980.27780.02830.029*0.628 (6)C27A1.0489 (7)0.3655 (5)0.0017 (4)0.031 (3)0.628 (6)H27A1.01560.39300.02020.037*0.628 (6)H27B1.09790.35040.01770.037*0.628 (6)C28A1.0789 (8)0.4027 (5)0.0358 (4)0.036 (3)0.628 (6)H28A1.11740.37630.05240.043*0.628 (6)H28B1.11100.43940.02580.043*0.628 (6)C29A1.0077 (13)0.4257 (6)0.0644 (6)0.034 (4)0.628 (6)H29A1.03160.44710.08910.041*0.628 (6)H29B0.97230.45620.04910.041*0.628 (6)C30A0.9523 (14)0.3681 (9)0.0790 (5)0.022 (3)0.628 (6)H30A0.90420.38360.09550.026*0.628 (6)H30B0.98620.34060.09720.026*0.628 (6)C31A0.9203 (10)0.3305 (8)0.0423 (5)0.018 (3)0.628 (6)H31A0.88920.29370.05290.022*0.628 (6)H31B0.88070.35660.02610.022*0.628 (6)C32A0.8926 (8)0.1935 (6)0.0039 (5)0.025 (2)0.628 (6)H32A0.83960.21230.00710.029*0.628 (6)C33A0.9359 (8)0.1631 (6)0.0349 (4)0.033 (3)0.628 (6)H33A0.95160.19620.05520.040*0.628 (6)H33B0.98780.14150.02600.040*0.628 (6)C34A0.8764 (8)0.1152 (7)0.0565 (4)0.046 (3)0.628 (6)H34A0.90560.09610.08060.055*0.628 (6)H34B0.82650.13750.06720.055*0.628 (6)C35A0.8476 (11)0.0620 (7)0.0259 (6)0.054 (4)0.628 (6)H35A0.80680.03430.04000.065*0.628 (6)H35B0.89640.03640.01730.065*0.628 (6)C36A0.8073 (14)0.0918 (9)0.0125 (6)0.041 (3)0.628 (6)H36A0.79260.05840.03260.050*0.628 (6)H36B0.75460.11270.00390.050*0.628 (6)C37A0.8636 (17)0.1400 (10)0.0345 (5)0.040 (4)0.628 (6)H37A0.91350.11850.04600.048*0.628 (6)H37B0.83260.15880.05820.048*0.628 (6)C26B0.996 (2)0.3247 (10)0.0109 (10)0.024 (2)0.372 (6)H26B1.04530.30270.02350.029*0.372 (6)C27B1.0324 (13)0.3903 (8)0.0049 (7)0.037 (4)0.372 (6)H27C0.98760.41390.01940.044*0.372 (6)H27D1.07820.38280.02510.044*0.372 (6)C28B1.0648 (13)0.4284 (7)0.0310 (8)0.042 (5)0.372 (6)H28C1.11220.40570.04390.051*0.372 (6)H28D1.08700.46840.01980.051*0.372 (6)C29B1.000 (2)0.4435 (13)0.0653 (10)0.042 (5)0.372 (6)H29C1.02760.46710.08820.051*0.372 (6)H29D0.95480.46960.05360.051*0.372 (6)C30B0.963 (3)0.3795 (17)0.0826 (9)0.029 (5)0.372 (6)H30C0.91580.38890.10150.034*0.372 (6)H30D1.00700.35810.09930.034*0.372 (6)C31B0.9339 (19)0.3363 (17)0.0491 (10)0.033 (6)0.372 (6)H31C0.92130.29530.06210.040*0.372 (6)H31D0.88080.35300.03780.040*0.372 (6)C32B0.9148 (16)0.2027 (11)0.0066 (9)0.025 (2)0.372 (6)H32B0.86310.21970.00690.029*0.372 (6)C33B0.9658 (12)0.1758 (11)0.0309 (8)0.031 (4)0.372 (6)H33C1.01650.15440.02020.037*0.372 (6)H33D0.98420.21070.04910.037*0.372 (6)C34B0.9128 (13)0.1285 (10)0.0572 (7)0.036 (4)0.372 (6)H34C0.94790.11150.08000.043*0.372 (6)H34D0.86520.15100.07010.043*0.372 (6)C35B0.8781 (18)0.0727 (10)0.0304 (9)0.042 (5)0.372 (6)H35C0.84130.04590.04770.050*0.372 (6)H35D0.92490.04680.01980.050*0.372 (6)C36B0.828 (2)0.1003 (15)0.0064 (10)0.039 (5)0.372 (6)H36C0.80800.06580.02440.047*0.372 (6)H36D0.77870.12290.00460.047*0.372 (6)C37B0.881 (3)0.1458 (16)0.0329 (8)0.033 (5)0.372 (6)H37C0.92930.12280.04490.040*0.372 (6)H37D0.84680.16170.05630.040*0.372 (6)C381.0504 (3)0.2320 (2)0.05776 (16)0.0305 (12)H38A1.08610.26810.06400.037*0.628 (6)H38B1.06740.19880.03840.037*0.372 (6)C391.0385 (3)0.1962 (2)0.09990 (16)0.0276 (12)H39A1.01050.22400.12030.033*H39B1.00180.15940.09530.033*C401.1217 (4)0.1743 (3)0.1179 (2)0.063 (2)H40A1.10880.14370.13970.075*0.628 (6)H40B1.14690.21050.13190.075*0.628 (6)H40C1.12730.13100.10800.075*0.372 (6)H40D1.11170.17120.14800.075*0.372 (6)C41A1.1863 (5)0.1466 (5)0.0918 (3)0.041 (3)0.628 (6)H41A1.17370.10160.08760.050*0.628 (6)H41B1.24090.14970.10630.050*0.628 (6)C42A1.1928 (6)0.1786 (5)0.0491 (3)0.050 (3)0.628 (6)H42A1.22710.15250.03060.060*0.628 (6)H42B1.22050.21920.05220.060*0.628 (6)C43A1.1051 (5)0.1885 (4)0.0290 (3)0.040 (2)0.628 (6)H43A1.07690.14760.02540.048*0.628 (6)H43B1.11150.20800.00110.048*0.628 (6)C41B1.1983 (9)0.1995 (7)0.1156 (4)0.033 (4)0.372 (6)H41C1.24040.16560.11750.039*0.372 (6)H41D1.20660.22770.13970.039*0.372 (6)C42B1.2129 (7)0.2360 (6)0.0756 (4)0.024 (3)0.372 (6)H42C1.22670.20610.05300.029*0.372 (6)H42D1.26200.26370.07960.029*0.372 (6)C43B1.1385 (8)0.2757 (7)0.0619 (5)0.034 (4)0.372 (6)H43C1.15100.29530.03450.041*0.372 (6)H43D1.12930.30960.08250.041*0.372 (6)C440.8940 (3)0.2757 (2)0.17588 (16)0.0222 (11)C450.8187 (3)0.1704 (2)0.14532 (16)0.0249 (11)C460.6750 (3)0.2500 (2)0.12381 (16)0.0273 (12)C470.8544 (3)0.4026 (2)0.18272 (16)0.0235 (11)C480.7813 (3)0.4784 (2)0.12459 (15)0.0227 (11)C490.6777 (3)0.3804 (2)0.09840 (17)0.0233 (11)C500.9581 (4)0.3564 (3)0.11070 (17)0.0384 (14)C510.8451 (4)0.3972 (2)0.04620 (18)0.0370 (14)C520.7685 (3)0.2794 (3)0.05461 (19)0.0397 (14)
U11U22U33U12U13U23Ru10.01512 (19)0.01609 (18)0.0211 (2)0.00056 (15)0.00138 (16)0.00159 (15)Ru20.01401 (19)0.01614 (18)0.0196 (2)0.00059 (14)0.00078 (15)0.00070 (15)Ru30.0191 (2)0.02256 (19)0.0208 (2)0.00073 (16)0.00432 (17)0.00093 (17)As10.0128 (2)0.0144 (2)0.0210 (3)0.00013 (18)0.00052 (19)0.00006 (19)As20.0130 (2)0.0145 (2)0.0206 (3)0.00054 (18)0.00109 (19)0.00064 (19)P10.0264 (8)0.0408 (8)0.0260 (8)0.0088 (6)0.0061 (6)0.0046 (6)O10.0181 (19)0.0258 (18)0.048 (2)0.0005 (15)0.0017 (17)0.0056 (17)O20.036 (2)0.0181 (18)0.060 (3)0.0037 (16)0.0032 (19)0.0062 (18)O30.029 (2)0.048 (2)0.044 (3)0.0117 (18)0.0124 (18)0.0036 (19)O40.028 (2)0.0334 (19)0.039 (2)0.0038 (16)0.0118 (18)0.0064 (17)O50.036 (2)0.0230 (18)0.041 (2)0.0002 (16)0.0156 (17)0.0072 (17)O60.033 (2)0.047 (2)0.039 (2)0.0095 (18)0.0193 (19)0.0144 (19)O70.035 (3)0.109 (4)0.034 (2)0.032 (3)0.002 (2)0.005 (2)O80.128 (4)0.027 (2)0.050 (3)0.024 (3)0.029 (3)0.011 (2)O90.043 (3)0.105 (4)0.048 (3)0.031 (3)0.013 (2)0.044 (3)C10.019 (2)0.015 (2)0.015 (2)0.0028 (18)0.0008 (19)0.0027 (18)C20.050 (4)0.035 (3)0.036 (3)0.021 (3)0.016 (3)0.008 (3)C30.089 (5)0.049 (4)0.034 (4)0.032 (4)0.024 (4)0.021 (3)C40.045 (4)0.043 (3)0.028 (3)0.001 (3)0.019 (3)0.002 (3)C50.020 (3)0.031 (3)0.038 (3)0.001 (2)0.010 (2)0.007 (2)C60.021 (3)0.028 (3)0.029 (3)0.001 (2)0.001 (2)0.003 (2)C70.012 (2)0.015 (2)0.033 (3)0.0018 (18)0.004 (2)0.004 (2)C80.021 (3)0.017 (2)0.030 (3)0.001 (2)0.006 (2)0.003 (2)C90.021 (3)0.024 (3)0.038 (3)0.001 (2)0.006 (2)0.010 (2)C100.022 (3)0.019 (2)0.050 (4)0.006 (2)0.001 (3)0.006 (2)C110.021 (3)0.021 (2)0.043 (3)0.002 (2)0.006 (2)0.006 (2)C120.015 (2)0.021 (2)0.029 (3)0.0001 (19)0.002 (2)0.002 (2)C130.014 (2)0.016 (2)0.024 (3)0.0005 (18)0.0002 (19)0.0007 (19)C140.019 (3)0.015 (2)0.027 (3)0.0021 (19)0.001 (2)0.003 (2)C150.021 (3)0.029 (3)0.032 (3)0.002 (2)0.004 (2)0.007 (2)C160.013 (3)0.045 (3)0.054 (4)0.002 (2)0.006 (3)0.009 (3)C170.027 (3)0.031 (3)0.042 (4)0.008 (2)0.010 (3)0.001 (3)C180.031 (3)0.025 (3)0.029 (3)0.002 (2)0.002 (2)0.006 (2)C190.022 (3)0.016 (2)0.033 (3)0.001 (2)0.001 (2)0.004 (2)C200.015 (2)0.015 (2)0.025 (3)0.0032 (18)0.003 (2)0.0009 (19)C210.019 (3)0.024 (2)0.028 (3)0.001 (2)0.002 (2)0.001 (2)C220.020 (3)0.023 (2)0.037 (3)0.005 (2)0.002 (2)0.004 (2)C230.022 (3)0.029 (3)0.027 (3)0.001 (2)0.000 (2)0.013 (2)C240.021 (3)0.034 (3)0.027 (3)0.007 (2)0.007 (2)0.002 (2)C250.017 (2)0.016 (2)0.030 (3)0.0016 (19)0.002 (2)0.001 (2)C26A0.019 (3)0.024 (6)0.030 (3)0.001 (5)0.012 (2)0.009 (5)C27A0.018 (5)0.043 (7)0.032 (5)0.008 (5)0.002 (4)0.006 (5)C28A0.034 (6)0.032 (6)0.042 (6)0.014 (5)0.007 (4)0.017 (6)C29A0.036 (7)0.025 (6)0.041 (6)0.004 (5)0.006 (5)0.013 (5)C30A0.022 (8)0.022 (7)0.021 (5)0.006 (5)0.002 (5)0.001 (5)C31A0.011 (5)0.025 (5)0.019 (5)0.004 (4)0.010 (4)0.007 (4)C32A0.010 (7)0.034 (5)0.029 (4)0.001 (4)0.005 (5)0.007 (3)C33A0.031 (8)0.038 (7)0.031 (6)0.005 (5)0.005 (6)0.006 (5)C34A0.052 (9)0.046 (8)0.040 (6)0.002 (6)0.006 (6)0.016 (5)C35A0.055 (10)0.051 (7)0.056 (8)0.006 (6)0.000 (7)0.013 (6)C36A0.040 (10)0.042 (7)0.042 (7)0.006 (5)0.004 (6)0.004 (5)C37A0.042 (11)0.043 (7)0.034 (6)0.003 (6)0.002 (6)0.008 (5)C26B0.019 (3)0.024 (6)0.030 (3)0.001 (5)0.012 (2)0.009 (5)C27B0.024 (9)0.037 (9)0.049 (8)0.013 (7)0.004 (7)0.019 (7)C28B0.033 (9)0.018 (8)0.076 (10)0.012 (8)0.001 (7)0.005 (9)C29B0.025 (10)0.056 (14)0.046 (11)0.012 (11)0.016 (8)0.011 (9)C30B0.018 (10)0.030 (12)0.038 (9)0.001 (8)0.008 (7)0.016 (7)C31B0.022 (11)0.039 (11)0.039 (11)0.006 (8)0.010 (9)0.009 (8)C32B0.010 (7)0.034 (5)0.029 (4)0.001 (4)0.005 (5)0.007 (3)C33B0.017 (10)0.033 (9)0.043 (9)0.000 (7)0.009 (7)0.012 (7)C34B0.035 (12)0.025 (9)0.047 (9)0.009 (8)0.002 (9)0.016 (6)C35B0.069 (16)0.020 (8)0.036 (10)0.008 (8)0.004 (11)0.010 (7)C36B0.032 (14)0.042 (10)0.044 (11)0.009 (8)0.001 (8)0.013 (9)C37B0.032 (13)0.032 (10)0.036 (10)0.005 (8)0.007 (8)0.011 (7)C380.025 (3)0.039 (3)0.027 (3)0.006 (2)0.001 (2)0.002 (2)C390.020 (3)0.037 (3)0.026 (3)0.004 (2)0.004 (2)0.003 (2)C400.042 (4)0.096 (5)0.050 (4)0.007 (4)0.005 (3)0.042 (4)C41A0.022 (5)0.059 (6)0.043 (6)0.011 (4)0.001 (4)0.025 (5)C42A0.037 (6)0.060 (7)0.052 (7)0.004 (5)0.001 (5)0.008 (5)C43A0.027 (5)0.059 (6)0.034 (5)0.012 (4)0.004 (4)0.007 (5)C41B0.037 (9)0.046 (9)0.015 (7)0.015 (7)0.001 (6)0.000 (7)C42B0.009 (6)0.025 (7)0.039 (9)0.005 (5)0.007 (6)0.000 (6)C43B0.023 (8)0.042 (8)0.037 (9)0.010 (6)0.015 (7)0.014 (7)C440.015 (3)0.021 (2)0.031 (3)0.0038 (19)0.000 (2)0.001 (2)C450.016 (3)0.029 (3)0.030 (3)0.005 (2)0.001 (2)0.002 (2)C460.026 (3)0.025 (3)0.031 (3)0.007 (2)0.007 (2)0.004 (2)C470.023 (3)0.018 (2)0.029 (3)0.004 (2)0.004 (2)0.004 (2)C480.020 (3)0.022 (2)0.025 (3)0.007 (2)0.005 (2)0.003 (2)C490.017 (3)0.019 (2)0.034 (3)0.003 (2)0.001 (2)0.006 (2)C500.031 (3)0.063 (4)0.021 (3)0.010 (3)0.010 (3)0.003 (3)C510.050 (4)0.027 (3)0.034 (3)0.007 (3)0.010 (3)0.004 (3)C520.025 (3)0.053 (4)0.042 (4)0.006 (3)0.017 (3)0.019 (3)
Ru1—C451.897 (5)C29A—H29B0.9700Ru1—C441.912 (5)C30A—C31A1.480 (10)Ru1—C461.930 (5)C30A—H30A0.9700Ru1—As12.4138 (6)C30A—H30B0.9700Ru1—Ru22.8699 (5)C31A—H31A0.9700Ru1—Ru32.8769 (5)C31A—H31B0.9700Ru2—C481.890 (5)C32A—C33A1.532 (10)Ru2—C471.920 (5)C32A—C37A1.543 (11)Ru2—C491.935 (5)C32A—H32A0.9800Ru2—As22.4369 (6)C33A—C34A1.526 (12)Ru2—Ru32.8621 (5)C33A—H33A0.9700Ru3—C511.866 (6)C33A—H33B0.9700Ru3—C521.906 (6)C34A—C35A1.536 (13)Ru3—C501.914 (6)C34A—H34A0.9700Ru3—P12.3905 (14)C34A—H34B0.9700As1—C11.936 (4)C35A—C36A1.495 (12)As1—C71.961 (4)C35A—H35A0.9700As1—C131.962 (4)C35A—H35B0.9700As2—C201.950 (4)C36A—C37A1.507 (11)As2—C141.951 (4)C36A—H36A0.9700As2—C131.956 (4)C36A—H36B0.9700P1—C32B1.653 (19)C37A—H37A0.9700P1—C26A1.801 (16)C37A—H37B0.9700P1—C381.844 (5)C26B—C31B1.561 (15)P1—C32A1.988 (10)C26B—C27B1.566 (15)P1—C26B2.00 (3)C26B—H26B0.9800O1—C441.163 (5)C27B—C28B1.468 (15)O2—C451.135 (5)C27B—H27C0.9700O3—C461.151 (5)C27B—H27D0.9700O4—C471.146 (5)C28B—C29B1.508 (15)O5—C481.148 (5)C28B—H28C0.9700O6—C491.128 (5)C28B—H28D0.9700O7—C501.157 (6)C29B—C30B1.557 (16)O8—C511.138 (6)C29B—H29C0.9700O9—C521.161 (6)C29B—H29D0.9700C1—C21.374 (7)C30B—C31B1.461 (15)C1—C61.393 (6)C30B—H30C0.9700C2—C31.385 (8)C30B—H30D0.9700C2—H2A0.9300C31B—H31C0.9700C3—C41.375 (7)C31B—H31D0.9700C3—H3A0.9300C32B—C33B1.530 (15)C4—C51.359 (7)C32B—C37B1.541 (15)C4—H4A0.9300C32B—H32B0.9800C5—C61.393 (7)C33B—C34B1.531 (15)C5—H5A0.9300C33B—H33C0.9700C6—H6A0.9300C33B—H33D0.9700C7—C81.383 (6)C34B—C35B1.537 (15)C7—C121.390 (6)C34B—H34C0.9700C8—C91.382 (6)C34B—H34D0.9700C8—H8A0.9300C35B—C36B1.508 (15)C9—C101.374 (7)C35B—H35C0.9700C9—H9A0.9300C35B—H35D0.9700C10—C111.379 (7)C36B—C37B1.511 (15)C10—H10A0.9300C36B—H36C0.9700C11—C121.396 (6)C36B—H36D0.9700C11—H11A0.9300C37B—H37C0.9700C12—H12A0.9300C37B—H37D0.9700C13—H13A0.9700C38—C391.530 (7)C13—H13B0.9700C38—C43A1.540 (10)C14—C191.383 (6)C38—C43B1.660 (13)C14—C151.393 (6)C38—H38A0.9599C15—C161.382 (6)C38—H38B0.9599C15—H15A0.9300C39—C401.491 (7)C16—C171.379 (7)C39—H39A0.9700C16—H16A0.9300C39—H39B0.9700C17—C181.373 (7)C40—C41B1.311 (15)C17—H17A0.9300C40—C41A1.424 (11)C18—C191.379 (6)C40—H40A0.9601C18—H18A0.9300C40—H40B0.9601C19—H19A0.9300C40—H40C0.9599C20—C251.390 (6)C40—H40D0.9601C20—C211.404 (6)C41A—C42A1.501 (12)C21—C221.388 (6)C41A—H40C1.1027C21—H21A0.9300C41A—H41A0.9700C22—C231.378 (7)C41A—H41B0.9700C22—H22A0.9300C42A—C43A1.523 (12)C23—C241.374 (6)C42A—H42A0.9601C23—H23A0.9300C42A—H42B0.9600C24—C251.394 (6)C43A—H38B0.6930C24—H24A0.9300C43A—H43A0.9700C25—H25A0.9300C43A—H43B0.9700C26A—C27A1.559 (10)C41B—C42B1.485 (18)C26A—C31A1.561 (11)C41B—H40B0.9794C26A—H26A0.9800C41B—H41C0.9700C27A—C28A1.486 (10)C41B—H41D0.9700C27A—H27A0.9700C42B—C43B1.494 (17)C27A—H27B0.9700C42B—H42B0.8214C28A—C29A1.509 (11)C42B—H42C0.9700C28A—H28A0.9700C42B—H42D0.9700C28A—H28B0.9700C43B—H38A0.8380C29A—C30A1.554 (10)C43B—H43C0.9700C29A—H29A0.9700C43B—H43D0.9700C45—Ru1—C4489.21 (19)C33A—C34A—C35A112.2 (9)C45—Ru1—C4697.6 (2)C33A—C34A—H34A109.2C44—Ru1—C46172.98 (19)C35A—C34A—H34A109.2C45—Ru1—As1100.47 (15)C33A—C34A—H34B109.2C44—Ru1—As195.42 (15)C35A—C34A—H34B109.2C46—Ru1—As185.09 (15)H34A—C34A—H34B107.9C45—Ru1—Ru2166.63 (15)C36A—C35A—C34A108.9 (9)C44—Ru1—Ru286.96 (13)C36A—C35A—H35A109.9C46—Ru1—Ru286.03 (14)C34A—C35A—H35A109.9As1—Ru1—Ru292.653 (17)C36A—C35A—H35B109.9C45—Ru1—Ru3107.03 (15)C34A—C35A—H35B109.9C44—Ru1—Ru381.86 (14)H35A—C35A—H35B108.3C46—Ru1—Ru394.42 (15)C35A—C36A—C37A113.7 (11)As1—Ru1—Ru3152.304 (19)C35A—C36A—H36A108.8Ru2—Ru1—Ru359.741 (12)C37A—C36A—H36A108.8C48—Ru2—C4789.1 (2)C35A—C36A—H36B108.8C48—Ru2—C4991.4 (2)C37A—C36A—H36B108.8C47—Ru2—C49176.01 (19)H36A—C36A—H36B107.7C48—Ru2—As2103.99 (14)C36A—C37A—C32A111.8 (9)C47—Ru2—As292.68 (14)C36A—C37A—H37A109.3C49—Ru2—As291.05 (14)C32A—C37A—H37A109.3C48—Ru2—Ru3101.32 (14)C36A—C37A—H37B109.3C47—Ru2—Ru396.26 (13)C32A—C37A—H37B109.3C49—Ru2—Ru379.76 (13)H37A—C37A—H37B107.9As2—Ru2—Ru3153.251 (19)C31B—C26B—C27B109.4 (15)C48—Ru2—Ru1160.66 (13)C31B—C26B—P1114.7 (17)C47—Ru2—Ru187.40 (13)C27B—C26B—P1117.1 (18)C49—Ru2—Ru190.85 (13)C31B—C26B—H26B104.7As2—Ru2—Ru195.171 (17)C27B—C26B—H26B104.7Ru3—Ru2—Ru160.251 (13)P1—C26B—H26B104.7C51—Ru3—C5293.7 (3)C28B—C27B—C26B111.1 (14)C51—Ru3—C5096.4 (2)C28B—C27B—H27C109.4C52—Ru3—C50169.9 (3)C26B—C27B—H27C109.4C51—Ru3—P199.51 (16)C28B—C27B—H27D109.4C52—Ru3—P186.64 (16)C26B—C27B—H27D109.4C50—Ru3—P191.13 (17)H27C—C27B—H27D108.0C51—Ru3—Ru284.57 (16)C27B—C28B—C29B115.3 (15)C52—Ru3—Ru297.00 (15)C27B—C28B—H28C108.4C50—Ru3—Ru284.55 (16)C29B—C28B—H28C108.4P1—Ru3—Ru2174.39 (4)C27B—C28B—H28D108.4C51—Ru3—Ru1140.89 (16)C29B—C28B—H28D108.4C52—Ru3—Ru176.23 (18)H28C—C28B—H28D107.5C50—Ru3—Ru196.13 (16)C28B—C29B—C30B108.6 (16)P1—Ru3—Ru1117.11 (4)C28B—C29B—H29C110.0Ru2—Ru3—Ru160.008 (12)C30B—C29B—H29C110.0C1—As1—C7102.29 (18)C28B—C29B—H29D110.0C1—As1—C13106.47 (19)C30B—C29B—H29D110.0C7—As1—C1396.59 (17)H29C—C29B—H29D108.4C1—As1—Ru1117.05 (13)C31B—C30B—C29B113.5 (18)C7—As1—Ru1118.18 (14)C31B—C30B—H30C108.9C13—As1—Ru1113.68 (13)C29B—C30B—H30C108.9C20—As2—C1498.75 (18)C31B—C30B—H30D108.9C20—As2—C13103.96 (18)C29B—C30B—H30D108.9C14—As2—C13102.23 (18)H30C—C30B—H30D107.7C20—As2—Ru2120.55 (13)C30B—C31B—C26B116.8 (16)C14—As2—Ru2114.26 (14)C30B—C31B—H31C108.1C13—As2—Ru2114.48 (13)C26B—C31B—H31C108.1C32BC26A96.3 (11)C30B—C31B—H31D108.1C32BC38102.5 (11)C26B—C31B—H31D108.1C26AC38102.4 (6)H31C—C31B—H31D107.3C26AC32A99.7 (6)C33B—C32B—C37B107.7 (15)C38C32A107.9 (5)C33B—C32B—P1119.6 (14)C32BC26B105.1 (12)C37B—C32B—P1117.1 (18)C38C26B103.7 (10)C33B—C32B—H32B103.3C32AC26B107.9 (9)C37B—C32B—H32B103.3C32BRu3120.6 (8)P1—C32B—H32B103.3C26ARu3115.8 (5)C32B—C33B—C34B111.6 (13)C38Ru3115.98 (18)C32B—C33B—H33C109.3C32ARu3113.4 (4)C34B—C33B—H33C109.3C26BRu3107.3 (10)C32B—C33B—H33D109.3C2C6118.7 (4)C34B—C33B—H33D109.3C2As1124.2 (4)H33C—C33B—H33D108.0C6As1117.1 (3)C33B—C34B—C35B112.9 (13)C1C3120.5 (5)C33B—C34B—H34C109.0C1H2A119.8C35B—C34B—H34C109.0C3H2A119.8C33B—C34B—H34D109.0C4C2120.6 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(16)C45—Ru1—Ru3—P13.37 (16)Ru3C32A—C33A164.0 (9)C44—Ru1—Ru3—P183.29 (14)C32BC32A—C37A106 (12)C46—Ru1—Ru3—P1102.70 (15)C26AC32A—C37A169.2 (13)As1—Ru1—Ru3—P1169.44 (5)C38C32A—C37A62.7 (12)Ru2—Ru1—Ru3—P1174.52 (4)C26BC32A—C37A174.1 (16)C45—Ru1—Ru3—Ru2177.88 (15)Ru3C32A—C37A67.1 (12)C44—Ru1—Ru3—Ru291.23 (13)C37A—C32A—C33A—C34A56.0 (14)C46—Ru1—Ru3—Ru282.79 (15)P1—C32A—C33A—C34A173.2 (10)As1—Ru1—Ru3—Ru25.08 (4)C32A—C33A—C34A—C35A58.0 (14)C45—Ru1—As1—C183.3 (2)C33A—C34A—C35A—C36A55.6 (15)C44—Ru1—As1—C16.90 (19)C34A—C35A—C36A—C37A54.7 (18)C46—Ru1—As1—C1179.88 (19)C35A—C36A—C37A—C32A56 (2)Ru2—Ru1—As1—C194.10 (14)C33A—C32A—C37A—C36A55.0 (17)Ru3—Ru1—As1—C189.71 (14)P1—C32A—C37A—C36A171.4 (13)C45—Ru1—As1—C739.7 (2)C32BC26B—C31B47 (3)C44—Ru1—As1—C7129.91 (19)C26AC26B—C31B70 (8)C46—Ru1—As1—C757.1 (2)C38C26B—C31B154 (2)Ru2—Ru1—As1—C7142.90 (14)C32AC26B—C31B40 (2)Ru3—Ru1—As1—C7147.29 (14)Ru3C26B—C31B83 (2)C45—Ru1—As1—C13151.9 (2)C32BC26B—C27B177 (2)C44—Ru1—As1—C13117.94 (19)C26AC26B—C27B159 (10)C46—Ru1—As1—C1355.03 (19)C38C26B—C27B76 (2)Ru2—Ru1—As1—C1330.75 (14)C32AC26B—C27B170.2 (17)Ru3—Ru1—As1—C1335.14 (14)Ru3C26B—C27B48 (2)C48—Ru2—As2—C2056.2 (2)C31B—C26B—C27B—C28B49 (3)C47—Ru2—As2—C2033.48 (19)P1—C26B—C27B—C28B178.0 (17)C49—Ru2—As2—C20147.95 (19)C26B—C27B—C28B—C29B59 (2)Ru3—Ru2—As2—C20143.07 (14)C27B—C28B—C29B—C30B57 (3)Ru1—Ru2—As2—C20121.11 (14)C28B—C29B—C30B—C31B50 (4)C48—Ru2—As2—C1461.1 (2)C29B—C30B—C31B—C26B48 (4)C47—Ru2—As2—C14150.85 (19)C27B—C26B—C31B—C30B47 (4)C49—Ru2—As2—C1430.57 (19)P1—C26B—C31B—C30B180 (3)Ru3—Ru2—As2—C1499.56 (14)C26AC32B—C33B39 (2)Ru1—Ru2—As2—C14121.52 (14)C38C32B—C33B65 (2)C48—Ru2—As2—C13178.6 (2)C32AC32B—C33B157 (14)C47—Ru2—As2—C1391.73 (19)C26BC32B—C33B43 (2)C49—Ru2—As2—C1386.8 (2)Ru3C32B—C33B164.3 (16)Ru3—Ru2—As2—C1317.87 (16)C26AC32B—C37B172 (2)Ru1—Ru2—As2—C134.10 (15)C38C32B—C37B68 (2)C51—Ru3C32B104.8 (13)C32AC32B—C37B70 (12)C52—Ru3C32B11.6 (13)C26BC32B—C37B176 (2)C50—Ru3C32B158.5 (13)Ru3C32B—C37B62 (2)Ru1—Ru3C32B61.0 (13)C37B—C32B—C33B—C34B55 (2)C51—Ru3C26A10.5 (5)P1—C32B—C33B—C34B168 (2)C52—Ru3C26A103.7 (5)C32B—C33B—C34B—C35B57 (2)C50—Ru3C26A86.1 (5)C33B—C34B—C35B—C36B55 (2)Ru1—Ru3C26A176.4 (5)C34B—C35B—C36B—C37B56 (3)C51—Ru3C38130.6 (3)C35B—C36B—C37B—C32B60 (3)C52—Ru3C38136.2 (3)C33B—C32B—C37B—C36B57 (3)C50—Ru3C3833.9 (3)P1—C32B—C37B—C36B165 (2)Ru1—Ru3C3863.6 (2)C32BC38—C3984.6 (10)C51—Ru3C32A103.8 (6)C26AC38—C39175.9 (6)C52—Ru3C32A10.6 (6)C32AC38—C3979.5 (6)C50—Ru3C32A159.5 (6)C26BC38—C39166.2 (9)Ru1—Ru3C32A62.1 (5)Ru3C38—C3948.8 (4)C51—Ru3C26B15.3 (8)C32BC38—C43A41.5 (10)C52—Ru3C26B108.5 (8)C26AC38—C43A58.0 (7)C50—Ru3C26B81.4 (8)C32AC38—C43A46.6 (7)Ru1—Ru3C26B178.8 (8)C26BC38—C43A67.7 (10)C7—As1C2100.0 (4)Ru3C38—C43A174.9 (4)C13—As1C20.8 (5)C32BC38—C43B141.7 (11)Ru1—As1C2129.2 (4)C26AC38—C43B42.3 (8)C7—As1C680.1 (4)C32AC38—C43B146.8 (8)C13—As1C6179.1 (3)C26BC38—C43B32.6 (11)Ru1—As1C650.7 (4)Ru3C38—C43B84.8 (7)C6C2—C30.6 (8)C43AC39—C4051.8 (7)As1C2—C3179.3 (5)C43BC39—C4037.9 (8)C1C3—C40.1 (10)P1C39—C40177.4 (4)C2C4—C50.8 (10)C38C40—C41B31.7 (13)C3C5—C61.1 (8)C38C40—C41A42.8 (9)C2C6—C50.3 (7)C41BC41A—C42A83.1 (10)As1C6—C5179.6 (4)C39C41A—C42A38.5 (12)C4C6—C10.5 (7)C40—C41A—C42A—C43A46.1 (12)C1—As1C850.2 (4)C41A—C42A—C43A—C3861.2 (10)C13—As1C858.3 (4)C39C43A—C42A63.0 (8)Ru1—As1C8179.6 (3)C43BC43A—C42A44.0 (8)C1—As1C12132.6 (4)P1C43A—C42A166.3 (6)C13—As1C12118.9 (4)C41AC41B—C42B76.7 (11)Ru1—As1C122.4 (4)C39C41B—C42B30.4 (18)C12C8—C90.3 (7)C40—C41B—C42B—C43B40.9 (17)As1C8—C9177.5 (3)C41B—C42B—C43B—C3854.4 (15)C7C9—C100.1 (7)C39C43B—C42B52.8 (12)C8C10—C110.2 (7)C43AC43B—C42B52.9 (11)C9C11—C120.2 (7)P1C43B—C42B170.3 (8)C8C12—C110.3 (7)
D—H···AD—HH···AD···AD—H···AC31A—H31B···O80.972.563.481 (17)159C32A—H32A···O90.982.473.157 (14)127C43A—H43B···O9i0.972.182.954 (10)135C5—H5A···Cg1ii0.932.943.728 (5)144C10—H10A···Cg2iii0.932.903.651 (5)139C16—H16A···Cg2iv0.932.963.718 (5)140C22—H22A···Cg1v0.932.823.608 (5)143C41B—H41D···Cg3ii0.972.623.420 (14)140Symmetry codes:
(i) x+1/2, y+1/2, z; (ii) x1/2, y, z1/2; (iii) x+3/2, y1/2, z; (iv) x3/2, y, z1/2; (v) x+1, y1/2, z1/2.
Crystal dataChemical formula[Ru3(C25H22As2)(C18H33P)(CO)9]Mr1307.98Crystal system, space groupOrthorhombic, PbcaTemperature (K)100a, b, c (Å)15.6489 (2), 20.9223 (3), 31.3447 (5)V (Å3))Z8Radiation typeMo Kµ (mm1)2.24Crystal size (mm)0.30 × 0.14 × 0.04 Data collectionDiffractometerBruker SMART APEXII CCD area-detector diffractometerAbsorption correctionMulti-scan (SADABS; Bruker, 2005)
Tmin, Tmax0.555, 0.922No. of measured, independent and observed [I > 2(I)] reflections6, 8148
Rint0.092(sin /)max (Å1)0.650 RefinementR[F2 > 2(F2)], wR(F2), S 0.046,
1.01No. of reflections11768No. of parameters728No. of restraints379H-atom treatmentH-atom parameters constrainedΔmax, Δmin (e Å3)0.84, 0.61
-->Hydrogen-bond geometry (Å, º)
D—H···AD—HH···AD···AD—H···AC31A—H31B···O80.97002.56003.481 (17)159.00C32A—H32A···O90.98002.47003.157 (14)127.00C43A—H43B···O9i0.97002.18002.954 (10)135.00C5—H5A···Cg1ii0.93002.943.728 (5)144C10—H10A···Cg2iii0.93002.903.651 (5)139C16—H16A···Cg2iv0.93002.963.718 (5)140C22—H22A···Cg1v0.93002.823.608 (5)143C41B—H41D···Cg3ii0.97002.623.420 (14)140Symmetry codes:
(i) x+1/2, y+1/2, z; (ii) x1/2, y, z1/2; (iii) x+3/2, y1/2, z; (iv) x3/2, y, z1/2; (v) x+1, y1/2, z1/2.
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