[μ-1,6-Bis(diphenyphosphan­yl)hexane-1:2κ2P:P′]deca­carbonyl-1κ3C,2κ3C,3κ4C-triangulo-triruthenium(0)

Shawkataly, O. bin; Sirat, S.S.; Quah, C.K.; Fun, H.-K.

doi:10.1107/S1600536812014614

metal-organic compounds

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ISSN: 2056-9890

Volume 68| Part 5| May 2012| Pages m629-m630

doi:10.1107/S1600536812014614

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[μ-1,6-Bis(diphenyphosphanyl)hexane-1:2κ²P:P′]decacarbonyl-1κ³C,2κ³C,3κ⁴C-triangulo-triruthenium(0)

Omar bin Shawkataly,^a ^*‡ Siti Syaida Sirat,^a § Ching Kheng Quah ^b ¶ and Hoong-Kun Fun ^b ‡‡

^aChemical Sciences Programme, School of Distance Education, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia, and ^bX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
^*Correspondence e-mail: omarsa@usm.my

(Received 28 March 2012; accepted 4 April 2012; online 18 April 2012)

The title triangulo-triruthenium(0) compound, [Ru₃(C₃₀H₃₂P₂)(CO)₁₀], contains a triangle of singly bonded Ru atoms. The phosphane-bridged Ru—Ru distance [2.9531 (2) Å] is significantly longer than the non-bridged Ru—Ru distances [2.8842 (2) and 2.8876 (2) Å] . The bis(diphenylphosphanyl)hexane ligand bridges the Ru—Ru bond. Each phosphane-substituted Ru atom bears one equatorial and two axial terminal carbonyl ligands, whereas the unsubstituted Ru atom bears two equatorial and two axial terminal carbonyl ligands. The dihedral angles between the benzene rings attached to each P atom are 72.75 (7) and 82.02 (7)°. The molecular structure is stabilized by an intramolecular C—H⋯O hydrogen bond involving a methylene group of the phosphane ligand and an axial carbonyl O atom, which generates an S(6) ring motif. In the crystal, molecules are linked via C—H⋯O hydrogen bonds into layers parallel to (100).

Related literature

For general background to triangulo-triruthenium clusters with structures of the general type Ru₃(CO)₁₀L (where L is a group 15 bidentate ligand), see: Bruce et al. (1982 ); Coleman et al. (1984 ); Teoh et al. (1990 ); Diz et al. (2001 ); Shawkataly et al. (2006 , 2011 ); Churchill et al. (1977 ). For the preparation of the title compound, see: Bruce et al. (1983 ). For hydrogen-bond motifs, see: Bernstein et al. (1995 ). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ).

Experimental

Crystal data

[Ru₃(C₃₀H₃₂P₂)(CO)₁₀]
M_r = 1037.81
Monoclinic, P 2₁ /c
a = 13.4836 (6) Å
b = 21.270 (1) Å
c = 16.1025 (6) Å
β = 122.295 (3)°
V = 3903.7 (3) Å³
Z = 4
Mo Kα radiation
μ = 1.29 mm⁻¹
T = 100 K
0.51 × 0.26 × 0.11 mm

Data collection

Bruker APEXII DUO CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2009 ) T_min = 0.562, T_max = 0.869
53262 measured reflections
14125 independent reflections
12773 reflections with I > 2σ(I)
R_int = 0.023

Refinement

R[F² > 2σ(F²)] = 0.019
wR(F²) = 0.046
S = 1.04
14125 reflections
496 parameters
H-atom parameters constrained
Δρ_max = 0.54 e Å⁻³
Δρ_min = −0.58 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C9—H9A⋯O3ⁱ	0.93	2.48	3.3421 (17)	154
C14—H14A⋯O6	0.97	2.58	3.2007 (19)	122
C20—H20A⋯O6ⁱ	0.93	2.59	3.495 (2)	164
C21—H21A⋯O9ⁱⁱ	0.93	2.51	3.329 (2)	147
Symmetry codes: (i) $[-x, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) $[x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536812014614/sj5228sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536812014614/sj5228Isup2.hkl

checkCIF report

Comment top

Synthesis and structural reports on substitutued triangulo-triruthenium clusters with group 15 ligands are of interest because of the observed structural variations and their potential catalytic activity. There are several reports of substituted derivatives, of the type Ru₃(CO)₁₀(L)[where L= bidentate phosphine ligand] (Coleman et al., 1984; Bruce et al., 1982; Teoh et al., 1990; Diz et al., 2001; Shawkataly et al., 2006, 2011).

The title triangulo-triruthenium(0) compound, [Ru₃(CO)₁₀(Ph₂P(CH₂)₆PPh₂)], contains triangle of singly bonded Ru atoms. These type of structures are derived from that of [Ru₃(CO)₁₂] (Churchill et al., 1977) by replacement of an equatorial carbonyl group on each of two Ru atoms by the Ph₂P groups of the diphosphane ligands. The phosphane bridged Ru-Ru distance [Ru2—Ru3 = 2.9531 (2) Å ] is significantly longer than the non-bridged Ru-Ru distances [Ru1 —Ru2 = 2.8842 (2) Å and Ru1 — Ru3 = 2.8876 (2) Å]. The bis(diphenylphosphanyl) hexane ligand bridges the Ru2– Ru3 bond. These Ru-Ru distances 2.8842 (2), 2.8876 (2) and 2.9531 (2) Å agree well with those observed in Ru₃(CO)₁₀Ph₂P(CH₂)₂PPh₂ (2.847 (1), 2.855 (1) and 2.856 (1) Å) (Bruce et al., 1982) andRu₃(CO)₁₀(F-dppe) [where F-dppe = bis(perfluoro-diphenylphosphanyl)ethane] (2.842 (4), 2.849 (4) and 2.868 (4) Å) (Diz et al., 2001) whereby the longest Ru-Ru bond is bridged by the bidentate phosphane ligand. The Ru1 atom carries two equatorial and two axial terminal carbonyl ligands whereas the Ru2 and Ru3 atoms each carries one equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings (C1–C6/C7–C12 and C19–C24/C25–C30) are 72.75 (7) and 82.02 (7)°, respectively. The molecular structure is stabilized by an intramolecular C14–H14A···O6 (Table 1) hydrogen bond, which generates an S(6) ring motif (Fig. 1, Bernstein et al., 1995).

In the crystal structure, Fig. 2, molecules are linked via intermolecular C9–H9A···O3, C20–H20A···O6 and C21–H21A···O9 hydrogen bonds (Table 1) into two-dimensional planes parallel to (100).

Related literature top

For general background to triangulo-triruthenium clusters with structures of the general type Ru₃(CO)₁₀L (where L is a group 15 bidentate ligand), see: Bruce et al. (1982); Coleman et al. (1984); Teoh et al. (1990); Diz et al. (2001); Shawkataly et al. (2006, 2011); Churchill et al. (1977). For the preparation of the title compound, see: Bruce et al. (1983). For hydrogen-bond motifs, see: Bernstein et al. (1995). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986).

Experimental top

All manipulations were performed under a dry, oxygen-free nitrogen atmosphere using standard Schlenk techniques. Tetrahydrofuran was dried over sodium and distilled from sodium benzophenone ketyl under nitrogen. The Ru₃(CO)₁₂ (Aldrich) and Ph₂P(CH₂)₆PPh₂ (Strem Chemicals) were used as received. Ru₃(CO)₁₀(Ph₂P(CH₂)₆PPh₂) was prepared by a reported procedure (Bruce et al., 1983). The title compound was obtained by reacting equimolar quantities of Ru₃(CO)₁₂ with Ph₂P(CH₂)₆PPh₂ in 25 ml THF. Crystals suitable for X-ray diffraction were grown by slow solvent/solvent diffusion of CH₃OH into CH₂Cl₂.

Computing details top

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT (Bruker, 2009); 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).

Figures top

	Fig. 1. The molecular structure of the title compound showing 40% probability displacement ellipsoids for non-H atoms. Intramolecular hydrogen bond is shown as dash line.
	Fig. 2. The crystal structure of the title compound, viewed along the c axis. H atoms not involved in hydrogen bonds (dashed lines) have been omitted for clarity.

[µ-1,6-Bis(diphenyphosphanyl)hexane-1:2κ²P:P']decacarbonyl- 1κ³C,2κ³C,3κ⁴C-triangulo-triruthenium(0) top

Crystal data top

[Ru₃(C₃₀H₃₂P₂)(CO)₁₀]	F(000) = 2056
M_r = 1037.81	D_x = 1.766 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 9965 reflections
a = 13.4836 (6) Å	θ = 3.1–32.6°
b = 21.270 (1) Å	µ = 1.29 mm⁻¹
c = 16.1025 (6) Å	T = 100 K
β = 122.295 (3)°	Block, brown
V = 3903.7 (3) Å³	0.51 × 0.26 × 0.11 mm
Z = 4

Data collection top

Bruker APEXII DUO CCD area-detector diffractometer	14125 independent reflections
Radiation source: fine-focus sealed tube	12773 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.023
ϕ and ω scans	θ_max = 32.7°, θ_min = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2009)	h = −20→20
T_min = 0.562, T_max = 0.869	k = −15→32
53262 measured reflections	l = −24→24

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.019	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.046	H-atom parameters constrained
S = 1.04	w = 1/[σ²(F_o²) + (0.0182P)² + 1.6109P] where P = (F_o² + 2F_c²)/3
14125 reflections	(Δ/σ)_max = 0.004
496 parameters	Δρ_max = 0.54 e Å⁻³
0 restraints	Δρ_min = −0.58 e Å⁻³

Crystal data top

[Ru₃(C₃₀H₃₂P₂)(CO)₁₀]	V = 3903.7 (3) Å³
M_r = 1037.81	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 13.4836 (6) Å	µ = 1.29 mm⁻¹
b = 21.270 (1) Å	T = 100 K
c = 16.1025 (6) Å	0.51 × 0.26 × 0.11 mm
β = 122.295 (3)°

Data collection top

Bruker APEXII DUO CCD area-detector diffractometer	14125 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2009)	12773 reflections with I > 2σ(I)
T_min = 0.562, T_max = 0.869	R_int = 0.023
53262 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.019	0 restraints
wR(F²) = 0.046	H-atom parameters constrained
S = 1.04	Δρ_max = 0.54 e Å⁻³
14125 reflections	Δρ_min = −0.58 e Å⁻³
496 parameters

Special details top

Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K.

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

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 > 2sigma(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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Ru1	0.234282 (8)	0.486493 (4)	0.439613 (7)	0.01568 (2)
Ru2	0.007592 (7)	0.536230 (4)	0.293260 (7)	0.01454 (2)
Ru3	0.221591 (7)	0.613182 (4)	0.370118 (6)	0.01222 (2)
P1	−0.17243 (2)	0.578706 (14)	0.16853 (2)	0.01642 (5)
P2	0.21229 (2)	0.713604 (13)	0.30678 (2)	0.01351 (5)
O1	0.16758 (11)	0.35305 (5)	0.46383 (10)	0.0385 (3)
O2	0.49388 (9)	0.47616 (6)	0.59809 (8)	0.0305 (2)
O3	0.28204 (10)	0.43668 (5)	0.28450 (8)	0.0287 (2)
O4	0.19513 (9)	0.54598 (5)	0.59416 (7)	0.0278 (2)
O5	−0.08834 (9)	0.40860 (5)	0.29939 (8)	0.0266 (2)
O6	0.05342 (9)	0.48931 (5)	0.13661 (7)	0.02588 (19)
O7	−0.05743 (9)	0.58536 (5)	0.43750 (7)	0.0266 (2)
O8	0.47322 (8)	0.62400 (5)	0.54079 (7)	0.02603 (19)
O9	0.27197 (8)	0.56475 (4)	0.21625 (7)	0.02217 (17)
O10	0.13472 (8)	0.67573 (4)	0.49164 (7)	0.02337 (18)
C1	−0.33183 (12)	0.47903 (7)	0.12075 (11)	0.0274 (3)
H1A	−0.2955	0.4605	0.0915	0.033*
C2	−0.42138 (13)	0.44728 (7)	0.12156 (12)	0.0338 (3)
H2A	−0.4448	0.4078	0.0926	0.041*
C3	−0.47589 (12)	0.47432 (8)	0.16546 (12)	0.0327 (3)
H3A	−0.5356	0.4529	0.1661	0.039*
C4	−0.44125 (12)	0.53312 (8)	0.20821 (11)	0.0293 (3)
H4A	−0.4780	0.5514	0.2373	0.035*
C5	−0.35137 (11)	0.56491 (7)	0.20765 (10)	0.0237 (2)
H5A	−0.3279	0.6043	0.2371	0.028*
C6	−0.29594 (10)	0.53843 (6)	0.16344 (9)	0.0198 (2)
C7	−0.32163 (10)	0.68222 (6)	0.08869 (9)	0.0218 (2)
H7A	−0.3698	0.6547	0.0379	0.026*
C8	−0.35592 (11)	0.74400 (6)	0.08411 (10)	0.0229 (2)
H8A	−0.4253	0.7583	0.0293	0.027*
C9	−0.28679 (11)	0.78458 (6)	0.16140 (10)	0.0224 (2)
H9A	−0.3105	0.8260	0.1590	0.027*
C10	−0.18240 (11)	0.76352 (6)	0.24221 (9)	0.0215 (2)
H10A	−0.1366	0.7907	0.2942	0.026*
C11	−0.14562 (10)	0.70156 (6)	0.24601 (9)	0.0177 (2)
H11A	−0.0748	0.6879	0.3000	0.021*
C12	−0.21474 (9)	0.66040 (5)	0.16923 (8)	0.01632 (19)
C13	−0.20318 (11)	0.56961 (6)	0.04288 (9)	0.0227 (2)
H13A	−0.2003	0.5252	0.0304	0.027*
H13B	−0.2823	0.5842	−0.0034	0.027*
C14	−0.11829 (13)	0.60517 (7)	0.02351 (11)	0.0276 (3)
H14A	−0.0394	0.5994	0.0801	0.033*
H14B	−0.1212	0.5856	−0.0322	0.033*
C15	−0.13912 (11)	0.67564 (7)	0.00301 (9)	0.0232 (2)
H15A	−0.1500	0.6949	0.0522	0.028*
H15B	−0.2105	0.6820	−0.0607	0.028*
C16	−0.03673 (11)	0.70793 (7)	0.00415 (9)	0.0231 (2)
H16A	−0.0293	0.6900	−0.0476	0.028*
H16B	−0.0552	0.7522	−0.0106	0.028*
C17	0.08159 (10)	0.70214 (6)	0.10166 (9)	0.0194 (2)
H17A	0.1005	0.6580	0.1169	0.023*
H17B	0.1421	0.7209	0.0944	0.023*
C18	0.08221 (10)	0.73398 (6)	0.18724 (8)	0.0172 (2)
H18A	0.0124	0.7215	0.1864	0.021*
H18B	0.0795	0.7792	0.1785	0.021*
C19	0.12991 (12)	0.81696 (6)	0.36458 (10)	0.0215 (2)
H19A	0.0584	0.8121	0.3055	0.026*
C20	0.14418 (14)	0.86478 (6)	0.42961 (11)	0.0289 (3)
H20A	0.0820	0.8917	0.4135	0.035*
C21	0.24985 (16)	0.87246 (7)	0.51764 (11)	0.0324 (3)
H21A	0.2591	0.9048	0.5601	0.039*
C22	0.34173 (15)	0.83192 (7)	0.54228 (11)	0.0326 (3)
H22A	0.4129	0.8368	0.6017	0.039*
C23	0.32780 (12)	0.78409 (7)	0.47855 (10)	0.0263 (3)
H23A	0.3895	0.7565	0.4962	0.032*
C24	0.22258 (10)	0.77667 (5)	0.38820 (9)	0.0170 (2)
C25	0.32775 (12)	0.79391 (6)	0.24798 (10)	0.0244 (2)
H25A	0.2639	0.8203	0.2284	0.029*
C26	0.41702 (13)	0.81267 (7)	0.23448 (11)	0.0294 (3)
H26A	0.4117	0.8510	0.2045	0.035*
C27	0.51388 (13)	0.77433 (8)	0.26570 (11)	0.0299 (3)
H27A	0.5740	0.7872	0.2575	0.036*
C28	0.52104 (11)	0.71679 (7)	0.30923 (10)	0.0267 (3)
H28A	0.5864	0.6913	0.3307	0.032*
C29	0.43030 (10)	0.69707 (6)	0.32084 (9)	0.0203 (2)
H29A	0.4347	0.6581	0.3487	0.024*
C30	0.33307 (10)	0.73567 (6)	0.29084 (9)	0.0172 (2)
C31	0.18777 (12)	0.40334 (6)	0.45353 (11)	0.0252 (3)
C32	0.39740 (11)	0.48128 (6)	0.53746 (10)	0.0212 (2)
C33	0.26107 (11)	0.45749 (6)	0.33856 (10)	0.0217 (2)
C34	0.20400 (11)	0.52583 (6)	0.53304 (10)	0.0208 (2)
C35	−0.05373 (11)	0.45692 (6)	0.29581 (9)	0.0201 (2)
C36	0.04399 (10)	0.50930 (6)	0.19821 (10)	0.0203 (2)
C37	−0.02635 (10)	0.56878 (6)	0.38771 (9)	0.0189 (2)
C38	0.37863 (10)	0.61975 (5)	0.47485 (9)	0.0177 (2)
C39	0.24923 (10)	0.57992 (5)	0.27257 (9)	0.0168 (2)
C40	0.16108 (10)	0.64892 (5)	0.44471 (9)	0.0170 (2)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ru1	0.01584 (4)	0.01339 (4)	0.02068 (4)	0.00335 (3)	0.01167 (3)	0.00438 (3)
Ru2	0.01199 (4)	0.01355 (4)	0.01822 (4)	−0.00056 (3)	0.00816 (3)	−0.00232 (3)
Ru3	0.01112 (4)	0.01189 (4)	0.01314 (4)	0.00063 (3)	0.00614 (3)	0.00121 (3)
P1	0.01275 (11)	0.01649 (12)	0.01796 (13)	−0.00106 (9)	0.00683 (10)	−0.00405 (10)
P2	0.01276 (11)	0.01292 (11)	0.01512 (12)	0.00080 (9)	0.00762 (10)	0.00159 (9)
O1	0.0567 (7)	0.0181 (4)	0.0655 (8)	0.0020 (5)	0.0492 (7)	0.0052 (5)
O2	0.0213 (4)	0.0415 (6)	0.0276 (5)	0.0099 (4)	0.0124 (4)	0.0101 (4)
O3	0.0399 (5)	0.0225 (4)	0.0327 (5)	0.0099 (4)	0.0254 (5)	0.0058 (4)
O4	0.0331 (5)	0.0297 (5)	0.0264 (5)	0.0078 (4)	0.0197 (4)	0.0051 (4)
O5	0.0330 (5)	0.0193 (4)	0.0354 (5)	−0.0065 (4)	0.0235 (4)	−0.0062 (4)
O6	0.0247 (4)	0.0281 (5)	0.0280 (5)	−0.0006 (4)	0.0163 (4)	−0.0075 (4)
O7	0.0257 (4)	0.0307 (5)	0.0302 (5)	−0.0051 (4)	0.0195 (4)	−0.0077 (4)
O8	0.0165 (4)	0.0280 (5)	0.0237 (4)	−0.0011 (3)	0.0041 (3)	0.0029 (4)
O9	0.0284 (4)	0.0205 (4)	0.0219 (4)	0.0029 (3)	0.0162 (4)	0.0022 (3)
O10	0.0276 (4)	0.0204 (4)	0.0293 (5)	−0.0031 (3)	0.0200 (4)	−0.0045 (4)
C1	0.0203 (5)	0.0245 (6)	0.0328 (7)	−0.0057 (5)	0.0110 (5)	−0.0068 (5)
C2	0.0249 (6)	0.0293 (7)	0.0364 (8)	−0.0113 (5)	0.0091 (6)	−0.0031 (6)
C3	0.0169 (5)	0.0404 (8)	0.0320 (7)	−0.0055 (5)	0.0071 (5)	0.0094 (6)
C4	0.0207 (6)	0.0371 (7)	0.0312 (7)	0.0030 (5)	0.0146 (5)	0.0097 (6)
C5	0.0203 (5)	0.0249 (6)	0.0263 (6)	0.0009 (4)	0.0127 (5)	0.0021 (5)
C6	0.0129 (4)	0.0204 (5)	0.0225 (5)	−0.0009 (4)	0.0071 (4)	−0.0007 (4)
C7	0.0151 (5)	0.0237 (5)	0.0205 (5)	0.0001 (4)	0.0054 (4)	−0.0020 (5)
C8	0.0159 (5)	0.0252 (6)	0.0238 (6)	0.0045 (4)	0.0082 (4)	0.0051 (5)
C9	0.0219 (5)	0.0189 (5)	0.0283 (6)	0.0035 (4)	0.0147 (5)	0.0033 (5)
C10	0.0228 (5)	0.0183 (5)	0.0223 (5)	−0.0006 (4)	0.0112 (5)	−0.0032 (4)
C11	0.0157 (5)	0.0187 (5)	0.0167 (5)	0.0003 (4)	0.0073 (4)	−0.0011 (4)
C12	0.0138 (4)	0.0169 (5)	0.0174 (5)	0.0004 (4)	0.0077 (4)	−0.0015 (4)
C13	0.0215 (5)	0.0253 (6)	0.0201 (5)	−0.0037 (4)	0.0102 (5)	−0.0075 (5)
C14	0.0314 (7)	0.0268 (6)	0.0312 (7)	−0.0001 (5)	0.0212 (6)	−0.0033 (5)
C15	0.0183 (5)	0.0305 (6)	0.0167 (5)	0.0021 (5)	0.0067 (4)	0.0030 (5)
C16	0.0210 (5)	0.0313 (6)	0.0147 (5)	0.0041 (5)	0.0080 (4)	0.0049 (5)
C17	0.0177 (5)	0.0247 (5)	0.0158 (5)	0.0024 (4)	0.0089 (4)	0.0019 (4)
C18	0.0160 (5)	0.0188 (5)	0.0162 (5)	0.0028 (4)	0.0082 (4)	0.0026 (4)
C19	0.0272 (6)	0.0168 (5)	0.0267 (6)	0.0036 (4)	0.0186 (5)	0.0034 (4)
C20	0.0468 (8)	0.0183 (5)	0.0377 (7)	0.0062 (5)	0.0333 (7)	0.0035 (5)
C21	0.0619 (10)	0.0191 (6)	0.0292 (7)	−0.0046 (6)	0.0331 (7)	−0.0038 (5)
C22	0.0443 (8)	0.0274 (7)	0.0223 (6)	−0.0061 (6)	0.0152 (6)	−0.0059 (5)
C23	0.0269 (6)	0.0243 (6)	0.0217 (6)	0.0002 (5)	0.0090 (5)	−0.0031 (5)
C24	0.0208 (5)	0.0140 (4)	0.0189 (5)	−0.0004 (4)	0.0123 (4)	0.0007 (4)
C25	0.0263 (6)	0.0203 (5)	0.0320 (7)	−0.0015 (4)	0.0192 (5)	0.0029 (5)
C26	0.0352 (7)	0.0259 (6)	0.0363 (7)	−0.0090 (5)	0.0252 (6)	0.0001 (6)
C27	0.0265 (6)	0.0389 (8)	0.0334 (7)	−0.0117 (6)	0.0221 (6)	−0.0068 (6)
C28	0.0179 (5)	0.0369 (7)	0.0292 (6)	−0.0018 (5)	0.0151 (5)	−0.0036 (6)
C29	0.0164 (5)	0.0248 (5)	0.0213 (5)	−0.0001 (4)	0.0111 (4)	0.0004 (4)
C30	0.0170 (5)	0.0178 (5)	0.0188 (5)	−0.0024 (4)	0.0110 (4)	−0.0008 (4)
C31	0.0302 (6)	0.0196 (5)	0.0371 (7)	0.0043 (5)	0.0255 (6)	0.0035 (5)
C32	0.0226 (5)	0.0222 (5)	0.0243 (6)	0.0064 (4)	0.0162 (5)	0.0071 (5)
C33	0.0240 (5)	0.0163 (5)	0.0269 (6)	0.0053 (4)	0.0150 (5)	0.0062 (4)
C34	0.0193 (5)	0.0190 (5)	0.0256 (6)	0.0045 (4)	0.0129 (5)	0.0066 (4)
C35	0.0198 (5)	0.0186 (5)	0.0246 (6)	−0.0009 (4)	0.0138 (5)	−0.0048 (4)
C36	0.0159 (5)	0.0198 (5)	0.0251 (6)	−0.0004 (4)	0.0109 (4)	−0.0025 (4)
C37	0.0147 (4)	0.0186 (5)	0.0221 (5)	−0.0024 (4)	0.0089 (4)	−0.0025 (4)
C38	0.0174 (5)	0.0168 (5)	0.0191 (5)	0.0006 (4)	0.0099 (4)	0.0023 (4)
C39	0.0173 (5)	0.0140 (4)	0.0177 (5)	0.0013 (4)	0.0085 (4)	0.0030 (4)
C40	0.0159 (4)	0.0155 (5)	0.0196 (5)	−0.0012 (4)	0.0095 (4)	0.0018 (4)

Geometric parameters (Å, º) top

Ru1—C32	1.9050 (13)	C8—H8A	0.9300
Ru1—C31	1.9293 (14)	C9—C10	1.3849 (18)
Ru1—C34	1.9459 (13)	C9—H9A	0.9300
Ru1—C33	1.9461 (14)	C10—C11	1.3980 (17)
Ru1—Ru2	2.8842 (2)	C10—H10A	0.9300
Ru1—Ru3	2.8876 (2)	C11—C12	1.3899 (16)
Ru2—C35	1.8887 (13)	C11—H11A	0.9300
Ru2—C36	1.9271 (13)	C13—C14	1.5366 (19)
Ru2—C37	1.9354 (13)	C13—H13A	0.9700
Ru2—P1	2.3522 (3)	C13—H13B	0.9700
Ru2—Ru3	2.9531 (2)	C14—C15	1.528 (2)
Ru3—C38	1.8792 (12)	C14—H14A	0.9700
Ru3—C39	1.9319 (12)	C14—H14B	0.9700
Ru3—C40	1.9322 (12)	C15—C16	1.5333 (19)
Ru3—P2	2.3413 (3)	C15—H15A	0.9700
P1—C12	1.8308 (12)	C15—H15B	0.9700
P1—C6	1.8353 (12)	C16—C17	1.5326 (17)
P1—C13	1.8458 (13)	C16—H16A	0.9700
P2—C24	1.8285 (12)	C16—H16B	0.9700
P2—C18	1.8334 (11)	C17—C18	1.5315 (17)
P2—C30	1.8399 (12)	C17—H17A	0.9700
O1—C31	1.1376 (17)	C17—H17B	0.9700
O2—C32	1.1402 (16)	C18—H18A	0.9700
O3—C33	1.1387 (16)	C18—H18B	0.9700
O4—C34	1.1368 (16)	C19—C24	1.3902 (17)
O5—C35	1.1429 (15)	C19—C20	1.3974 (19)
O6—C36	1.1472 (16)	C19—H19A	0.9300
O7—C37	1.1409 (16)	C20—C21	1.381 (2)
O8—C38	1.1468 (15)	C20—H20A	0.9300
O9—C39	1.1480 (15)	C21—C22	1.382 (2)
O10—C40	1.1445 (15)	C21—H21A	0.9300
C1—C2	1.390 (2)	C22—C23	1.385 (2)
C1—C6	1.3954 (18)	C22—H22A	0.9300
C1—H1A	0.9300	C23—C24	1.3959 (17)
C2—C3	1.388 (2)	C23—H23A	0.9300
C2—H2A	0.9300	C25—C26	1.3910 (19)
C3—C4	1.383 (2)	C25—C30	1.4012 (17)
C3—H3A	0.9300	C25—H25A	0.9300
C4—C5	1.3920 (19)	C26—C27	1.386 (2)
C4—H4A	0.9300	C26—H26A	0.9300
C5—C6	1.3969 (18)	C27—C28	1.388 (2)
C5—H5A	0.9300	C27—H27A	0.9300
C7—C8	1.3818 (18)	C28—C29	1.3973 (17)
C7—C12	1.4061 (16)	C28—H28A	0.9300
C7—H7A	0.9300	C29—C30	1.3961 (17)
C8—C9	1.3869 (19)	C29—H29A	0.9300

C32—Ru1—C31	98.85 (6)	C12—C11—H11A	120.0
C32—Ru1—C34	90.69 (5)	C10—C11—H11A	120.0
C31—Ru1—C34	95.10 (6)	C11—C12—C7	118.84 (11)
C32—Ru1—C33	91.44 (5)	C11—C12—P1	122.69 (9)
C31—Ru1—C33	91.35 (6)	C7—C12—P1	118.47 (9)
C34—Ru1—C33	172.82 (5)	C14—C13—P1	114.55 (9)
C32—Ru1—Ru2	161.50 (4)	C14—C13—H13A	108.6
C31—Ru1—Ru2	99.37 (4)	P1—C13—H13A	108.6
C34—Ru1—Ru2	84.58 (4)	C14—C13—H13B	108.6
C33—Ru1—Ru2	91.27 (4)	P1—C13—H13B	108.6
C32—Ru1—Ru3	100.25 (4)	H13A—C13—H13B	107.6
C31—Ru1—Ru3	160.89 (4)	C15—C14—C13	117.11 (11)
C34—Ru1—Ru3	84.54 (4)	C15—C14—H14A	108.0
C33—Ru1—Ru3	88.33 (4)	C13—C14—H14A	108.0
Ru2—Ru1—Ru3	61.547 (3)	C15—C14—H14B	108.0
C35—Ru2—C36	92.98 (5)	C13—C14—H14B	108.0
C35—Ru2—C37	90.71 (5)	H14A—C14—H14B	107.3
C36—Ru2—C37	176.27 (5)	C14—C15—C16	112.10 (11)
C35—Ru2—P1	95.60 (4)	C14—C15—H15A	109.2
C36—Ru2—P1	91.18 (4)	C16—C15—H15A	109.2
C37—Ru2—P1	87.95 (4)	C14—C15—H15B	109.2
C35—Ru2—Ru1	86.55 (4)	C16—C15—H15B	109.2
C36—Ru2—Ru1	86.07 (4)	H15A—C15—H15B	107.9
C37—Ru2—Ru1	94.67 (4)	C17—C16—C15	114.47 (10)
P1—Ru2—Ru1	176.602 (9)	C17—C16—H16A	108.6
C35—Ru2—Ru3	145.79 (4)	C15—C16—H16A	108.6
C36—Ru2—Ru3	83.75 (4)	C17—C16—H16B	108.6
C37—Ru2—Ru3	93.48 (3)	C15—C16—H16B	108.6
P1—Ru2—Ru3	118.456 (9)	H16A—C16—H16B	107.6
Ru1—Ru2—Ru3	59.283 (4)	C18—C17—C16	112.87 (10)
C38—Ru3—C39	98.20 (5)	C18—C17—H17A	109.0
C38—Ru3—C40	93.46 (5)	C16—C17—H17A	109.0
C39—Ru3—C40	168.09 (5)	C18—C17—H17B	109.0
C38—Ru3—P2	95.48 (4)	C16—C17—H17B	109.0
C39—Ru3—P2	88.20 (3)	H17A—C17—H17B	107.8
C40—Ru3—P2	88.26 (3)	C17—C18—P2	112.48 (8)
C38—Ru3—Ru1	85.21 (4)	C17—C18—H18A	109.1
C39—Ru3—Ru1	88.63 (3)	P2—C18—H18A	109.1
C40—Ru3—Ru1	94.79 (3)	C17—C18—H18B	109.1
P2—Ru3—Ru1	176.823 (8)	P2—C18—H18B	109.1
C38—Ru3—Ru2	142.89 (4)	H18A—C18—H18B	107.8
C39—Ru3—Ru2	91.49 (3)	C24—C19—C20	119.99 (13)
C40—Ru3—Ru2	80.56 (3)	C24—C19—H19A	120.0
P2—Ru3—Ru2	120.673 (8)	C20—C19—H19A	120.0
Ru1—Ru3—Ru2	59.170 (4)	C21—C20—C19	120.57 (13)
C12—P1—C6	99.50 (5)	C21—C20—H20A	119.7
C12—P1—C13	102.59 (6)	C19—C20—H20A	119.7
C6—P1—C13	103.60 (6)	C20—C21—C22	119.71 (13)
C12—P1—Ru2	122.83 (4)	C20—C21—H21A	120.1
C6—P1—Ru2	110.90 (4)	C22—C21—H21A	120.1
C13—P1—Ru2	114.87 (4)	C21—C22—C23	119.98 (14)
C24—P2—C18	104.06 (5)	C21—C22—H22A	120.0
C24—P2—C30	100.32 (5)	C23—C22—H22A	120.0
C18—P2—C30	102.40 (5)	C22—C23—C24	121.02 (13)
C24—P2—Ru3	113.02 (4)	C22—C23—H23A	119.5
C18—P2—Ru3	118.14 (4)	C24—C23—H23A	119.5
C30—P2—Ru3	116.62 (4)	C19—C24—C23	118.68 (12)
C2—C1—C6	120.65 (14)	C19—C24—P2	122.90 (9)
C2—C1—H1A	119.7	C23—C24—P2	118.41 (9)
C6—C1—H1A	119.7	C26—C25—C30	120.65 (13)
C3—C2—C1	120.18 (14)	C26—C25—H25A	119.7
C3—C2—H2A	119.9	C30—C25—H25A	119.7
C1—C2—H2A	119.9	C27—C26—C25	120.05 (13)
C4—C3—C2	119.89 (13)	C27—C26—H26A	120.0
C4—C3—H3A	120.1	C25—C26—H26A	120.0
C2—C3—H3A	120.1	C26—C27—C28	119.99 (12)
C3—C4—C5	119.99 (14)	C26—C27—H27A	120.0
C3—C4—H4A	120.0	C28—C27—H27A	120.0
C5—C4—H4A	120.0	C27—C28—C29	120.18 (13)
C4—C5—C6	120.80 (13)	C27—C28—H28A	119.9
C4—C5—H5A	119.6	C29—C28—H28A	119.9
C6—C5—H5A	119.6	C30—C29—C28	120.31 (12)
C1—C6—C5	118.49 (12)	C30—C29—H29A	119.8
C1—C6—P1	120.81 (10)	C28—C29—H29A	119.8
C5—C6—P1	120.58 (10)	C29—C30—C25	118.81 (11)
C8—C7—C12	120.79 (11)	C29—C30—P2	122.63 (9)
C8—C7—H7A	119.6	C25—C30—P2	118.56 (9)
C12—C7—H7A	119.6	O1—C31—Ru1	175.53 (12)
C7—C8—C9	119.91 (11)	O2—C32—Ru1	176.94 (12)
C7—C8—H8A	120.0	O3—C33—Ru1	174.44 (11)
C9—C8—H8A	120.0	O4—C34—Ru1	173.73 (11)
C10—C9—C8	120.02 (12)	O5—C35—Ru2	178.36 (13)
C10—C9—H9A	120.0	O6—C36—Ru2	171.84 (11)
C8—C9—H9A	120.0	O7—C37—Ru2	173.03 (10)
C9—C10—C11	120.31 (12)	O8—C38—Ru3	177.79 (11)
C9—C10—H10A	119.8	O9—C39—Ru3	173.87 (10)
C11—C10—H10A	119.8	O10—C40—Ru3	171.83 (10)
C12—C11—C10	120.08 (11)

C32—Ru1—Ru2—C35	−170.75 (13)	C12—P1—C6—C1	152.39 (11)
C31—Ru1—Ru2—C35	−0.70 (6)	C13—P1—C6—C1	46.84 (12)
C34—Ru1—Ru2—C35	−94.99 (5)	Ru2—P1—C6—C1	−76.90 (12)
C33—Ru1—Ru2—C35	90.88 (5)	C12—P1—C6—C5	−31.60 (11)
Ru3—Ru1—Ru2—C35	178.29 (4)	C13—P1—C6—C5	−137.14 (11)
C32—Ru1—Ru2—C36	96.01 (13)	Ru2—P1—C6—C5	99.11 (10)
C31—Ru1—Ru2—C36	−93.93 (6)	C12—C7—C8—C9	−2.6 (2)
C34—Ru1—Ru2—C36	171.78 (5)	C7—C8—C9—C10	1.2 (2)
C33—Ru1—Ru2—C36	−2.35 (5)	C8—C9—C10—C11	0.6 (2)
Ru3—Ru1—Ru2—C36	85.06 (4)	C9—C10—C11—C12	−1.06 (19)
C32—Ru1—Ru2—C37	−80.33 (13)	C10—C11—C12—C7	−0.26 (18)
C31—Ru1—Ru2—C37	89.73 (6)	C10—C11—C12—P1	179.77 (9)
C34—Ru1—Ru2—C37	−4.56 (5)	C8—C7—C12—C11	2.09 (19)
C33—Ru1—Ru2—C37	−178.69 (5)	C8—C7—C12—P1	−177.93 (10)
Ru3—Ru1—Ru2—C37	−91.28 (4)	C6—P1—C12—C11	119.28 (11)
C32—Ru1—Ru2—P1	59.97 (19)	C13—P1—C12—C11	−134.37 (10)
C31—Ru1—Ru2—P1	−129.98 (15)	Ru2—P1—C12—C11	−3.29 (12)
C34—Ru1—Ru2—P1	135.73 (15)	C6—P1—C12—C7	−60.70 (11)
C33—Ru1—Ru2—P1	−38.40 (15)	C13—P1—C12—C7	45.66 (11)
Ru3—Ru1—Ru2—P1	49.01 (14)	Ru2—P1—C12—C7	176.73 (8)
C32—Ru1—Ru2—Ru3	10.95 (12)	C12—P1—C13—C14	71.06 (11)
C31—Ru1—Ru2—Ru3	−178.99 (4)	C6—P1—C13—C14	174.24 (10)
C34—Ru1—Ru2—Ru3	86.72 (4)	Ru2—P1—C13—C14	−64.66 (11)
C33—Ru1—Ru2—Ru3	−87.41 (4)	P1—C13—C14—C15	−79.49 (14)
C32—Ru1—Ru3—C38	−7.39 (5)	C13—C14—C15—C16	169.24 (11)
C31—Ru1—Ru3—C38	172.15 (13)	C14—C15—C16—C17	−59.62 (15)
C34—Ru1—Ru3—C38	82.32 (5)	C15—C16—C17—C18	−63.05 (15)
C33—Ru1—Ru3—C38	−98.55 (5)	C16—C17—C18—P2	168.47 (9)
Ru2—Ru1—Ru3—C38	169.10 (4)	C24—P2—C18—C17	159.32 (9)
C32—Ru1—Ru3—C39	90.96 (5)	C30—P2—C18—C17	55.19 (10)
C31—Ru1—Ru3—C39	−89.51 (13)	Ru3—P2—C18—C17	−74.45 (9)
C34—Ru1—Ru3—C39	−179.33 (5)	C24—C19—C20—C21	−0.1 (2)
C33—Ru1—Ru3—C39	−0.20 (5)	C19—C20—C21—C22	−1.0 (2)
Ru2—Ru1—Ru3—C39	−92.56 (3)	C20—C21—C22—C23	0.4 (2)
C32—Ru1—Ru3—C40	−100.47 (5)	C21—C22—C23—C24	1.3 (2)
C31—Ru1—Ru3—C40	79.06 (13)	C20—C19—C24—C23	1.69 (18)
C34—Ru1—Ru3—C40	−10.76 (5)	C20—C19—C24—P2	−179.12 (10)
C33—Ru1—Ru3—C40	168.37 (5)	C22—C23—C24—C19	−2.3 (2)
Ru2—Ru1—Ru3—C40	76.02 (3)	C22—C23—C24—P2	178.48 (12)
C32—Ru1—Ru3—P2	95.40 (15)	C18—P2—C24—C19	16.52 (12)
C31—Ru1—Ru3—P2	−85.07 (19)	C30—P2—C24—C19	122.23 (11)
C34—Ru1—Ru3—P2	−174.89 (15)	Ru3—P2—C24—C19	−112.87 (10)
C33—Ru1—Ru3—P2	4.24 (15)	C18—P2—C24—C23	−164.28 (10)
Ru2—Ru1—Ru3—P2	−88.11 (14)	C30—P2—C24—C23	−58.58 (11)
C32—Ru1—Ru3—Ru2	−176.49 (4)	Ru3—P2—C24—C23	66.33 (11)
C31—Ru1—Ru3—Ru2	3.05 (13)	C30—C25—C26—C27	−1.6 (2)
C34—Ru1—Ru3—Ru2	−86.78 (4)	C25—C26—C27—C28	0.9 (2)
C33—Ru1—Ru3—Ru2	92.35 (4)	C26—C27—C28—C29	0.6 (2)
C35—Ru2—Ru3—C38	−21.23 (9)	C27—C28—C29—C30	−1.5 (2)
C36—Ru2—Ru3—C38	−107.34 (7)	C28—C29—C30—C25	0.78 (19)
C37—Ru2—Ru3—C38	75.17 (7)	C28—C29—C30—P2	−178.39 (10)
P1—Ru2—Ru3—C38	164.72 (6)	C26—C25—C30—C29	0.7 (2)
Ru1—Ru2—Ru3—C38	−18.20 (6)	C26—C25—C30—P2	179.95 (11)
C35—Ru2—Ru3—C39	84.48 (8)	C24—P2—C30—C29	118.01 (11)
C36—Ru2—Ru3—C39	−1.62 (5)	C18—P2—C30—C29	−134.96 (10)
C37—Ru2—Ru3—C39	−179.12 (5)	Ru3—P2—C30—C29	−4.39 (12)
P1—Ru2—Ru3—C39	−89.57 (3)	C24—P2—C30—C25	−61.16 (11)
Ru1—Ru2—Ru3—C39	87.51 (3)	C18—P2—C30—C25	45.87 (11)
C35—Ru2—Ru3—C40	−104.44 (8)	Ru3—P2—C30—C25	176.43 (9)
C36—Ru2—Ru3—C40	169.45 (5)	C32—Ru1—C31—O1	−27.5 (18)
C37—Ru2—Ru3—C40	−8.04 (5)	C34—Ru1—C31—O1	−119.0 (18)
P1—Ru2—Ru3—C40	81.51 (4)	C33—Ru1—C31—O1	64.1 (18)
Ru1—Ru2—Ru3—C40	−101.41 (3)	Ru2—Ru1—C31—O1	155.6 (18)
C35—Ru2—Ru3—P2	173.27 (7)	Ru3—Ru1—C31—O1	152.9 (17)
C36—Ru2—Ru3—P2	87.17 (4)	C31—Ru1—C32—O2	−25 (2)
C37—Ru2—Ru3—P2	−90.32 (4)	C34—Ru1—C32—O2	70 (2)
P1—Ru2—Ru3—P2	−0.775 (13)	C33—Ru1—C32—O2	−117 (2)
Ru1—Ru2—Ru3—P2	176.308 (10)	Ru2—Ru1—C32—O2	145 (2)
C35—Ru2—Ru3—Ru1	−3.03 (7)	Ru3—Ru1—C32—O2	155 (2)
C36—Ru2—Ru3—Ru1	−89.14 (4)	C32—Ru1—C33—O3	48.8 (13)
C37—Ru2—Ru3—Ru1	93.37 (4)	C31—Ru1—C33—O3	−50.1 (13)
P1—Ru2—Ru3—Ru1	−177.083 (10)	C34—Ru1—C33—O3	155.9 (11)
C35—Ru2—P1—C12	141.36 (6)	Ru2—Ru1—C33—O3	−149.5 (13)
C36—Ru2—P1—C12	−125.53 (6)	Ru3—Ru1—C33—O3	149.0 (13)
C37—Ru2—P1—C12	50.85 (6)	C32—Ru1—C34—O4	−27.4 (11)
Ru1—Ru2—P1—C12	−89.57 (15)	C31—Ru1—C34—O4	71.6 (11)
Ru3—Ru2—P1—C12	−42.00 (5)	C33—Ru1—C34—O4	−134.6 (10)
C35—Ru2—P1—C6	24.19 (6)	Ru2—Ru1—C34—O4	170.5 (11)
C36—Ru2—P1—C6	117.30 (6)	Ru3—Ru1—C34—O4	−127.6 (11)
C37—Ru2—P1—C6	−66.32 (6)	C36—Ru2—C35—O5	100 (4)
Ru1—Ru2—P1—C6	153.26 (14)	C37—Ru2—C35—O5	−81 (4)
Ru3—Ru2—P1—C6	−159.17 (4)	P1—Ru2—C35—O5	−169 (4)
C35—Ru2—P1—C13	−92.83 (6)	Ru1—Ru2—C35—O5	14 (4)
C36—Ru2—P1—C13	0.28 (6)	Ru3—Ru2—C35—O5	17 (4)
C37—Ru2—P1—C13	176.66 (6)	C35—Ru2—C36—O6	37.9 (8)
Ru1—Ru2—P1—C13	36.24 (16)	C37—Ru2—C36—O6	−134.1 (8)
Ru3—Ru2—P1—C13	83.81 (5)	P1—Ru2—C36—O6	−57.7 (8)
C38—Ru3—P2—C24	−67.34 (6)	Ru1—Ru2—C36—O6	124.3 (8)
C39—Ru3—P2—C24	−165.41 (5)	Ru3—Ru2—C36—O6	−176.2 (8)
C40—Ru3—P2—C24	25.97 (5)	C35—Ru2—C37—O7	−48.1 (10)
Ru1—Ru3—P2—C24	−169.85 (14)	C36—Ru2—C37—O7	123.9 (10)
Ru2—Ru3—P2—C24	103.93 (4)	P1—Ru2—C37—O7	47.4 (10)
C38—Ru3—P2—C18	170.88 (6)	Ru1—Ru2—C37—O7	−134.7 (9)
C39—Ru3—P2—C18	72.82 (6)	Ru3—Ru2—C37—O7	165.8 (9)
C40—Ru3—P2—C18	−95.80 (6)	C39—Ru3—C38—O8	−165 (3)
Ru1—Ru3—P2—C18	68.38 (15)	C40—Ru3—C38—O8	17 (3)
Ru2—Ru3—P2—C18	−17.85 (5)	P2—Ru3—C38—O8	106 (3)
C38—Ru3—P2—C30	48.17 (6)	Ru1—Ru3—C38—O8	−78 (3)
C39—Ru3—P2—C30	−49.90 (5)	Ru2—Ru3—C38—O8	−62 (3)
C40—Ru3—P2—C30	141.48 (5)	C38—Ru3—C39—O9	−55.2 (10)
Ru1—Ru3—P2—C30	−54.34 (16)	C40—Ru3—C39—O9	112.9 (9)
Ru2—Ru3—P2—C30	−140.56 (4)	P2—Ru3—C39—O9	40.1 (10)
C6—C1—C2—C3	−0.3 (2)	Ru1—Ru3—C39—O9	−140.2 (10)
C1—C2—C3—C4	0.2 (2)	Ru2—Ru3—C39—O9	160.7 (10)
C2—C3—C4—C5	−0.4 (2)	C38—Ru3—C40—O10	50.2 (7)
C3—C4—C5—C6	0.6 (2)	C39—Ru3—C40—O10	−118.0 (7)
C2—C1—C6—C5	0.5 (2)	P2—Ru3—C40—O10	−45.2 (7)
C2—C1—C6—P1	176.64 (11)	Ru1—Ru3—C40—O10	135.7 (7)
C4—C5—C6—C1	−0.7 (2)	Ru2—Ru3—C40—O10	−166.7 (7)
C4—C5—C6—P1	−176.80 (10)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C9—H9A···O3ⁱ	0.93	2.48	3.3421 (17)	154
C14—H14A···O6	0.97	2.58	3.2007 (19)	122
C20—H20A···O6ⁱ	0.93	2.59	3.495 (2)	164
C21—H21A···O9ⁱⁱ	0.93	2.51	3.329 (2)	147

Symmetry codes: (i) −x, y+1/2, −z+1/2; (ii) x, −y+3/2, z+1/2.

Experimental details

Crystal data
Chemical formula	[Ru₃(C₃₀H₃₂P₂)(CO)₁₀]
M_r	1037.81
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	100
a, b, c (Å)	13.4836 (6), 21.270 (1), 16.1025 (6)
β (°)	122.295 (3)
V (Å³)	3903.7 (3)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.29
Crystal size (mm)	0.51 × 0.26 × 0.11

Data collection
Diffractometer	Bruker APEXII DUO CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2009)
T_min, T_max	0.562, 0.869
No. of measured, independent and observed [I > 2σ(I)] reflections	53262, 14125, 12773
R_int	0.023
(sin θ/λ)_max (Å⁻¹)	0.759

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.019, 0.046, 1.04
No. of reflections	14125
No. of parameters	496
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.54, −0.58

Computer programs: APEX2 (Bruker, 2009), SAINT (Bruker, 2009), SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C9—H9A···O3ⁱ	0.9300	2.4800	3.3421 (17)	154.00
C14—H14A···O6	0.9700	2.5800	3.2007 (19)	122.00
C20—H20A···O6ⁱ	0.9300	2.5900	3.495 (2)	164.00
C21—H21A···O9ⁱⁱ	0.9300	2.5100	3.329 (2)	147.00

Symmetry codes: (i) −x, y+1/2, −z+1/2; (ii) x, −y+3/2, z+1/2.

Footnotes

‡Thomson Reuters ResearcherID: B-6034-2009.

§Thomson Reuters ResearcherID: E-6050-2011.

¶Thomson Reuters ResearcherID: A-5525-2009.

‡‡Thomson Reuters ResearcherID: A-3561-2009.

Acknowledgements

ObS would like to thank Universiti Sains Malaysia (USM) for the Research University Grant No. 1001/PJJAUH/811188. SSS thanks USM for the award of a USM fellowship and for a scholarship under the Postgraduate Research Grant Scheme (PRGS) No. 1001/PJJAUH/834064. HKF thanks USM for the Research University Grant No. 1001/PFIZIK/811160.

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