Deca­carbonyl­tetra-μ-hydrido-bis­(tri­cyclohexylphosphine)-tetrahedro-tetraruthenium

Lozano Diz, E.; Therrien, B.; Süss-Fink, G.

doi:10.1107/S1600536803010833

Decacarbonyltetra-μ-hydrido-bis(tricyclohexylphosphine)-tetrahedro-tetraruthenium

E. Lozano Diz, B. Therrien and G. Süss-Fink

The title cluster, [Ru₄H₄(C₁₈H₃₃P)₂(CO)₁₀], which contains two tricyclohexylphosphine ligands, has been synthesized and characterized both spectroscopically and crystallographically. The molecular structure is very similar to that of the known triphenylphosphine derivative [H₄Ru₄(CO)₁₀(PPh₃)₂].

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803010833/cv6193sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536803010833/cv6193Isup2.hkl Contains datablock I

CCDC reference: 217362

checkCIF report

Key indicators

Single-crystal X-ray study
T = 153 K
Mean (C-C) = 0.007 Å
R factor = 0.027
wR factor = 0.045
Data-to-parameter ratio = 17.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



PLAT_601  Alert B Structure Contains Solvent Accessible VOIDS of     166.00 A   3


 Alert Level C:



ABSTM_02  Alert C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
          Tmin and Tmax reported:      0.641     0.895
          Tmin' and Tmax expected:      0.693     0.867
          RR' =      0.896
          Please check that your absorption correction is appropriate.

GOODF_01  Alert C The least squares goodness of fit parameter lies
          outside the range 0.80 <> 2.00
          Goodness of fit given =      0.745

REFLT_03
         From the CIF: _diffrn_reflns_theta_max           25.91
         From the CIF: _reflns_number_total              10053
         TEST2: Reflns within _diffrn_reflns_theta_max
         Count of symmetry unique reflns        10703
         Completeness (_total/calc)             93.93%
          Alert C: < 95% complete

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     99
                   O2  -C41 -RU1 -C40  -159.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    100
                   O2  -C41 -RU1 -P1    -66.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    101
                   O2  -C41 -RU1 -RU4    79.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    102
                   O2  -C41 -RU1 -RU3    44.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    103
                   O2  -C41 -RU1 -RU2   104.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    104
                   O1  -C40 -RU1 -C41  -146.00  4.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    105
                   O1  -C40 -RU1 -P1    127.00  4.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    106
                   O1  -C40 -RU1 -RU4    13.00  4.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    107
                   O1  -C40 -RU1 -RU3    -9.00  5.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    108
                   O1  -C40 -RU1 -RU2   -43.00  4.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    124
                   O4  -C43 -RU2 -C42   -99.00  9.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    125
                   O4  -C43 -RU2 -P2     -3.00  9.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    126
                   O4  -C43 -RU2 -RU4   175.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    127
                   O4  -C43 -RU2 -RU3   116.00  9.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    128
                   O4  -C43 -RU2 -RU1   143.00  9.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    129
                   O3  -C42 -RU2 -C43  -179.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    130
                   O3  -C42 -RU2 -P2     90.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    131
                   O3  -C42 -RU2 -RU4   -79.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    132
                   O3  -C42 -RU2 -RU3   -65.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    133
                   O3  -C42 -RU2 -RU1   -18.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    172
                   O5  -C44 -RU3 -C45    95.00  8.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    173
                   O5  -C44 -RU3 -C46    -5.00  8.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    174
                   O5  -C44 -RU3 -RU4   176.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    175
                   O5  -C44 -RU3 -RU2  -126.00  8.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    176
                   O5  -C44 -RU3 -RU1  -155.00  8.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    177
                   O6  -C45 -RU3 -C44   -73.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    178
                   O6  -C45 -RU3 -C46    22.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    179
                   O6  -C45 -RU3 -RU4  -167.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    180
                   O6  -C45 -RU3 -RU2  -173.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    181
                   O6  -C45 -RU3 -RU1   133.00  7.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    182
                   O7  -C46 -RU3 -C44    92.00  5.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    183
                   O7  -C46 -RU3 -C45    -1.00  5.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    184
                   O7  -C46 -RU3 -RU4   -94.00  5.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    185
                   O7  -C46 -RU3 -RU2  -169.00  5.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    186
                   O7  -C46 -RU3 -RU1  -102.00  5.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    233
                   O8  -C47 -RU4 -C49    70.00  6.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    234
                   O8  -C47 -RU4 -C48   -23.00  6.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    235
                   O8  -C47 -RU4 -RU3  -129.00  6.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    236
                   O8  -C47 -RU4 -RU2   167.00  6.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    237
                   O8  -C47 -RU4 -RU1  -170.00  6.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    238
                   O10 -C49 -RU4 -C47   -43.00  6.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    239
                   O10 -C49 -RU4 -C48    52.00  6.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    240
                   O10 -C49 -RU4 -RU3  -146.00  5.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    241
                   O10 -C49 -RU4 -RU2  -126.00  6.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    242
                   O10 -C49 -RU4 -RU1   170.00  6.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    243
                   O9  -C48 -RU4 -C47    58.00  3.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    244
                   O9  -C48 -RU4 -C49   -37.00  3.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    245
                   O9  -C48 -RU4 -RU3   149.00  3.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    246
                   O9  -C48 -RU4 -RU2   131.00  3.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    247
                   O9  -C48 -RU4 -RU1  -143.00  3.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    250
                   C46 -RU3 -RU4 -C47  -163.10  0.80   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    255
                   C46 -RU3 -RU4 -C49   -59.30  0.80   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    260
                   C46 -RU3 -RU4 -C48   102.60  0.80   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    265
                   C46 -RU3 -RU4 -RU2   -81.00  0.70   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #    269
                   C46 -RU3 -RU4 -RU1    -9.30  0.70   1.555   1.555   1.555   1.555

General Notes



REFLT_03
         From the CIF: _diffrn_reflns_theta_max           25.91
         From the CIF: _reflns_number_total              10053
         From the CIF: _diffrn_reflns_limit_ max hkl   15.   29.   20.
         From the CIF: _diffrn_reflns_limit_ min hkl  -14.  -29.  -20.
         TEST1: Expected hkl limits for theta max
         Calculated maximum hkl   15.   29.   22.
         Calculated minimum hkl  -15.  -29.  -22.
          ALERT: Expected hkl max differ from CIF values


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 58 Alert Level C = Please check

Comment top

It has been shown by Bruce and co-workers that the hydrogenation of Ru₃(CO)₁₂ in the presence of tertiary phosphines [L = P(OMe)₃, PMe₃, PPh₃ or PPh(OMe)₂)] gives a mixture of tetranuclear complexes [H₄Ru₄(CO)_12-n(L)_n] (n = 1–3) (Bruce et al., 1986). From a different starting material, [H₂Ru₃(CO)₆(PCy₃)₃] (Süss-Fink et al., 1998), but also by hydrogenation in an autoclave, we have obtained the analogous compound [H₄Ru₄(CO)₁₀(PCy₃)₂], (I), containing two tricyclohexylphospine (PCy₃) ligands. The ¹H NMR spectrum displays four non-equivalent hydrides, as opposed to the parent cluster [H₄Ru₄(CO)₁₀{P(OCH₃)₃}₂], which shows only one hydride resonance (Knox & Kaesz, 1971). The hydride ligands adopt a similar arrangement as that observed for [H₄Ru₄(CO)₁₀(PH₂PCH₂CH₂PPh₂)] (Shapley & Richter, 1977).

The molecular structure of (I) (Fig. 1) was confirmed by single-crystal X-ray analysis. The geometry of (I) consists of an asymmetric Ru₄ tetrahedral core, with four long metal–metal distances and two shorter ones. The four hydrido ligands bridged the long Ru—Ru bonds, as suggested for [H₄Ru₄(CO)₁₀(PPh₃)₂] (Wilson et al., 1978; Sasvári et al., 1979). The metal–metal distances (long Ru—Ru, average 3.01 Å; short 2.79 Å) are slightly longer from those in [H₄Ru₄(CO)₁₀(PPh₃)₂] (long 2.97 Å; short 2.77 Å) and in [H₄Ru₄(CO)₁₀{P(OMe)₃}₂] (long 2.973 Å; short 2.792 Å) (Aime et al. 1995). The phosphine ligands are coordinated to Ru1 and Ru2 with Ru—P distances of 2.389 (1) and 2.382 (1) Å, respectively. The P1—Ru1—Ru2—P2 torsion angle is 143.6 (1)°. All the carbonyl groups adopt a staggered conformation with respect to the metal edges. The carbonyl groups opposite to the unbridged Ru—Ru bonds (C46 and C48) show longer Ru—C distances (average 1.913 Å) than those opposite to bridged Ru—Ru bonds (average 1.878 Å). Otherwise no significant difference was observed in the carbonyl envelopes of the three analogous clusters.

Experimental top

A solution of [H₂Ru₃(CO)₆(PCy₃)₃] (Süss-Fink et al., 1998) (127 mg, 0.1 mmol) in degassed cyclohexane (40 ml) is placed in a stainless-steel autoclave. After purging with hydrogen, the autoclave is pressurized with hydrogen (30 bar) and heated to 373 K. After 18 h, the autoclave is placed in an ice-bath and the pressure released. The solution is evaporated to dryness and the brown residue dissolved in dichloromethane (3 ml), before being chromatographed on a silica gel (100 GF254, Merck) column, using a mixture of hexane–CH₂Cl₂ (4:1) as eluant. The major red fraction gives [H₄Ru₄(CO)₁₀(PCy₃)₂] in 30% yield. ¹H NMR (200 MHz, CDCl₃): δ −19.6 (s, 1H), −18.0 (s, 1H), −17.1 (s, 1H), −15.7 (s, 1H), 1.25 − 2.10 (m, 66H); ³¹P NMR (200 MHz, CDCl₃): δ 57.3 (s, 1P), 53.2 (s, 1P). IR (cyclohexane, cm⁻¹, CO): 2069 (w), 2062 (sh), 2022 (versus), 2003 (w), 1993 (s), 1982 (m), 1971 (w), 1966 (w). MS (ESI, m/z): 1248.0 Analysis calculated for C₄₆H₇₀O₁₀P₂Ru₄: C 44.23, H 5.65%; found: C 43.66, H 5.62%. Red crystals of compound (I) were obtained at room temperature by slow evaporation of a CH₃OH–CH₂Cl₂ (3:7) solution.

Computing details top

Data collection: EXPOSE in IPDS Software (Stoe & Cie, 2000); cell refinement: CELL in IPDS Software; data reduction: INTEGRATE in IPDS Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Figures top

Fig. 1. The molecular structure of (I) with the 50% probability displacement ellipsoids. The cyclohexyl groups and H atoms have been omitted for clarity.

decacarbonyltetrahydrobis(tricyclopentylphosphine)-tetrahedro-tetraruthenium top

Crystal data top

[Ru₄H₄(C₁₈H₃₃P)₂(CO)₁₀]	F(000) = 2528
M_r = 1249.24	D_x = 1.510 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
a = 12.461 (5) Å	Cell parameters from 7997 reflections
b = 23.934 (5) Å	θ = 2.0–25.9°
c = 18.541 (5) Å	µ = 1.19 mm⁻¹
β = 96.545 (5)°	T = 153 K
V = 5494 (3) Å³	Block, red
Z = 4	0.30 × 0.30 × 0.12 mm

Data collection top

Stoe & Cie IPDS diffractometer	10053 independent reflections
Radiation source: fine-focus sealed tube	6046 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.057
Detector resolution: 0 pixels mm^-1	θ_max = 25.9°, θ_min = 2.0°
ϕ oscillation scans	h = −14→15
Absorption correction: empirical (using intensity measurements) (Walker & Stuart, 1983)	k = −29→29
T_min = 0.641, T_max = 0.895	l = −20→20
38794 measured reflections

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)] = 0.027	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.045	H-atom parameters constrained
S = 0.75	w = 1/[σ²(F_o²) + (0.0085P)²] where P = (F_o² + 2F_c²)/3
10053 reflections	(Δ/σ)_max = 0.002
586 parameters	Δρ_max = 0.48 e Å⁻³
0 restraints	Δρ_min = −0.49 e Å⁻³

Crystal data top

[Ru₄H₄(C₁₈H₃₃P)₂(CO)₁₀]	V = 5494 (3) Å³
M_r = 1249.24	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 12.461 (5) Å	µ = 1.19 mm⁻¹
b = 23.934 (5) Å	T = 153 K
c = 18.541 (5) Å	0.30 × 0.30 × 0.12 mm
β = 96.545 (5)°

Data collection top

Stoe & Cie IPDS diffractometer	10053 independent reflections
Absorption correction: empirical (using intensity measurements) (Walker & Stuart, 1983)	6046 reflections with I > 2σ(I)
T_min = 0.641, T_max = 0.895	R_int = 0.057
38794 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.027	0 restraints
wR(F²) = 0.045	H-atom parameters constrained
S = 0.75	Δρ_max = 0.48 e Å⁻³
10053 reflections	Δρ_min = −0.49 e Å⁻³
586 parameters

Special details top

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 and torsion 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. 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 > σ(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	Occ. (<1)
C1	0.3539 (3)	−0.05251 (16)	0.4053 (2)	0.0275 (10)
H1A	0.4320	−0.0425	0.4158	0.033*
C2	0.3270 (3)	−0.09186 (18)	0.4669 (3)	0.0385 (12)
H2A	0.2500	−0.1029	0.4588	0.046*
H2B	0.3714	−0.1262	0.4669	0.046*
C3	0.3497 (4)	−0.0623 (2)	0.5401 (3)	0.0514 (14)
H3A	0.3318	−0.0876	0.5791	0.062*
H3B	0.4277	−0.0533	0.5492	0.062*
C4	0.2846 (4)	−0.0090 (2)	0.5422 (3)	0.0592 (17)
H4A	0.3033	0.0098	0.5895	0.071*
H4B	0.2067	−0.0183	0.5375	0.071*
C5	0.3067 (3)	0.0303 (2)	0.4815 (3)	0.0530 (15)
H5A	0.3821	0.0438	0.4904	0.064*
H5B	0.2583	0.0631	0.4816	0.064*
C6	0.2894 (3)	0.00213 (18)	0.4067 (3)	0.0413 (13)
H6A	0.3121	0.0280	0.3696	0.050*
H6B	0.2116	−0.0059	0.3941	0.050*
C7	0.4479 (3)	−0.13859 (15)	0.3188 (2)	0.0253 (10)
H7	0.4690	−0.1404	0.2684	0.030*
C8	0.5515 (3)	−0.12331 (16)	0.3679 (3)	0.0314 (10)
H8A	0.5735	−0.0849	0.3565	0.038*
H8B	0.5366	−0.1240	0.4192	0.038*
C9	0.6441 (3)	−0.16358 (17)	0.3582 (3)	0.0414 (13)
H9A	0.6643	−0.1598	0.3083	0.050*
H9B	0.7078	−0.1534	0.3925	0.050*
C10	0.6139 (3)	−0.22383 (17)	0.3711 (3)	0.0420 (12)
H10A	0.6059	−0.2292	0.4232	0.050*
H10B	0.6726	−0.2487	0.3587	0.050*
C11	0.5081 (3)	−0.23995 (17)	0.3253 (3)	0.0416 (12)
H11A	0.5190	−0.2398	0.2733	0.050*
H11B	0.4870	−0.2782	0.3383	0.050*
C12	0.4178 (3)	−0.19897 (16)	0.3382 (2)	0.0327 (10)
H12A	0.4044	−0.2006	0.3897	0.039*
H12B	0.3504	−0.2100	0.3080	0.039*
C13	0.3763 (3)	−0.03047 (15)	0.2528 (2)	0.0255 (10)
H13	0.3166	−0.0023	0.2493	0.031*
C14	0.4803 (3)	0.00215 (17)	0.2789 (3)	0.0409 (12)
H14A	0.4758	0.0168	0.3284	0.049*
H14B	0.5433	−0.0232	0.2808	0.049*
C15	0.4950 (4)	0.05082 (19)	0.2270 (3)	0.0598 (17)
H15A	0.4346	0.0775	0.2282	0.072*
H15B	0.5630	0.0707	0.2435	0.072*
C16	0.4985 (4)	0.0308 (2)	0.1500 (3)	0.0615 (16)
H16A	0.5631	0.0070	0.1477	0.074*
H16B	0.5043	0.0633	0.1177	0.074*
C17	0.3977 (4)	−0.00232 (19)	0.1240 (3)	0.0496 (13)
H17A	0.4035	−0.0170	0.0747	0.059*
H17B	0.3339	0.0226	0.1213	0.059*
C18	0.3826 (3)	−0.05074 (17)	0.1753 (3)	0.0390 (11)
H18A	0.4438	−0.0771	0.1750	0.047*
H18B	0.3155	−0.0711	0.1579	0.047*
C19	−0.0732 (3)	−0.20077 (15)	0.0399 (2)	0.0235 (9)
H19	−0.0904	−0.2351	0.0099	0.028*
C20	−0.1569 (3)	−0.15594 (15)	0.0126 (2)	0.0318 (11)
H20A	−0.2300	−0.1690	0.0206	0.038*
H20B	−0.1417	−0.1212	0.0408	0.038*
C21	−0.1541 (4)	−0.14372 (18)	−0.0676 (3)	0.0424 (12)
H21A	−0.1762	−0.1775	−0.0963	0.051*
H21B	−0.2062	−0.1136	−0.0828	0.051*
C22	−0.0425 (4)	−0.12622 (17)	−0.0829 (3)	0.0424 (12)
H22A	−0.0251	−0.0894	−0.0602	0.051*
H22B	−0.0416	−0.1222	−0.1360	0.051*
C23	0.0426 (4)	−0.16811 (17)	−0.0541 (3)	0.0401 (12)
H23A	0.1147	−0.1532	−0.0610	0.048*
H23B	0.0318	−0.2031	−0.0825	0.048*
C24	0.0398 (3)	−0.18142 (15)	0.0256 (2)	0.0303 (10)
H24A	0.0602	−0.1478	0.0551	0.036*
H24B	0.0930	−0.2112	0.0405	0.036*
C25	0.0337 (3)	−0.26976 (14)	0.1555 (2)	0.0218 (9)
H25	0.0999	−0.2467	0.1523	0.026*
C26	0.0406 (3)	−0.31716 (14)	0.1003 (2)	0.0275 (10)
H26A	−0.0192	−0.3439	0.1039	0.033*
H26B	0.0325	−0.3015	0.0505	0.033*
C27	0.1485 (3)	−0.34773 (17)	0.1143 (3)	0.0368 (11)
H27A	0.2077	−0.3217	0.1061	0.044*
H27B	0.1497	−0.3790	0.0794	0.044*
C28	0.1679 (3)	−0.37062 (16)	0.1917 (3)	0.0385 (12)
H28A	0.1148	−0.4005	0.1980	0.046*
H28B	0.2411	−0.3871	0.2001	0.046*
C29	0.1570 (3)	−0.32422 (16)	0.2470 (3)	0.0372 (12)
H29A	0.2160	−0.2968	0.2448	0.045*
H29B	0.1643	−0.3404	0.2964	0.045*
C30	0.0478 (3)	−0.29433 (16)	0.2324 (2)	0.0303 (10)
H30A	−0.0113	−0.3211	0.2379	0.036*
H30B	0.0438	−0.2640	0.2684	0.036*
C31	−0.2034 (3)	−0.26581 (17)	0.1314 (3)	0.0324 (11)
H31	−0.2583	−0.2355	0.1213	0.039*
C32	−0.2355 (4)	−0.28320 (18)	0.2041 (3)	0.0472 (14)
H32A	−0.1732	−0.3023	0.2314	0.057*
H32B	−0.2502	−0.2490	0.2314	0.057*
C33	−0.3312 (4)	−0.3206 (2)	0.2023 (3)	0.0674 (17)
H33A	−0.3136	−0.3502	0.2390	0.081*
H33B	−0.3911	−0.2984	0.2184	0.081*
C34A	−0.3719 (10)	−0.3478 (5)	0.1343 (7)	0.065 (4)	0.50
H34A	−0.4510	−0.3520	0.1336	0.078*	0.50
H34B	−0.3408	−0.3859	0.1350	0.078*	0.50
C35A	−0.3507 (13)	−0.3205 (8)	0.0644 (13)	0.050 (5)	0.50
H35A	−0.4018	−0.2891	0.0539	0.060*	0.50
H35B	−0.3641	−0.3479	0.0244	0.060*	0.50
C36A	−0.2339 (7)	−0.2982 (4)	0.0666 (5)	0.039 (2)	0.50
H36A	−0.1836	−0.3301	0.0650	0.047*	0.50
H36B	−0.2280	−0.2747	0.0234	0.047*	0.50
C34B	−0.4192 (7)	−0.3131 (4)	0.1472 (6)	0.038 (3)	0.50
H34C	−0.4626	−0.2807	0.1600	0.046*	0.50
H34D	−0.4661	−0.3466	0.1457	0.046*	0.50
C35B	−0.3852 (14)	−0.3040 (8)	0.0746 (12)	0.041 (4)	0.50
H35C	−0.4488	−0.2941	0.0400	0.049*	0.50
H35D	−0.3538	−0.3389	0.0574	0.049*	0.50
C36B	−0.3002 (6)	−0.2564 (3)	0.0768 (5)	0.031 (2)	0.50
H36C	−0.2757	−0.2526	0.0281	0.037*	0.50
H36D	−0.3350	−0.2208	0.0883	0.037*	0.50
C40	0.1695 (3)	−0.17735 (16)	0.3496 (2)	0.0249 (10)
C41	0.2344 (3)	−0.16567 (15)	0.2079 (3)	0.0272 (10)
C42	−0.1007 (3)	−0.18782 (14)	0.2999 (2)	0.0212 (10)
C43	−0.2172 (3)	−0.12699 (15)	0.1911 (2)	0.0263 (10)
C44	−0.0992 (3)	−0.00139 (15)	0.1524 (2)	0.0267 (10)
C45	0.0923 (3)	0.02532 (16)	0.2302 (2)	0.0271 (10)
C46	0.0872 (3)	−0.03179 (16)	0.0907 (3)	0.0293 (10)
C47	−0.1643 (3)	−0.03734 (15)	0.2930 (2)	0.0236 (9)
C48	0.0140 (3)	0.00681 (16)	0.3762 (2)	0.0269 (10)
C49	−0.0560 (3)	−0.09850 (15)	0.4045 (2)	0.0250 (10)
O1	0.1662 (2)	−0.20829 (12)	0.39683 (18)	0.0405 (8)
O2	0.2791 (2)	−0.18935 (12)	0.16547 (18)	0.0415 (8)
O3	−0.11331 (19)	−0.21484 (10)	0.34985 (16)	0.0290 (7)
O4	−0.3081 (2)	−0.11754 (11)	0.17100 (18)	0.0395 (8)
O5	−0.1780 (2)	0.02217 (12)	0.13156 (19)	0.0489 (9)
O6	0.1299 (2)	0.06531 (11)	0.25645 (17)	0.0418 (8)
O7	0.1238 (2)	−0.02429 (12)	0.03795 (19)	0.0444 (8)
O8	−0.2517 (2)	−0.02185 (11)	0.27832 (16)	0.0359 (8)
O9	0.0279 (2)	0.04545 (11)	0.41251 (19)	0.0467 (9)
O10	−0.0807 (2)	−0.12001 (12)	0.45612 (18)	0.0424 (8)
P1	0.33681 (7)	−0.08586 (4)	0.31556 (6)	0.0216 (2)
P2	−0.08097 (8)	−0.22030 (4)	0.13623 (6)	0.0209 (2)
Ru1	0.16393 (2)	−0.124402 (12)	0.273894 (19)	0.01823 (8)
Ru2	−0.07325 (2)	−0.144501 (11)	0.219955 (19)	0.01766 (8)
Ru3	0.03107 (2)	−0.038972 (11)	0.182365 (19)	0.02026 (8)
Ru4	−0.02180 (2)	−0.059575 (11)	0.321727 (19)	0.01791 (8)
H1	0.1196	−0.0768	0.3379	0.050*
H2	0.1532	−0.0700	0.2065	0.050*
H3	−0.0315	−0.1012	0.1480	0.050*
H4	0.0594	−0.1663	0.2369	0.050*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0134 (19)	0.041 (2)	0.028 (3)	−0.0036 (16)	−0.0002 (17)	−0.0109 (19)
C2	0.026 (2)	0.060 (3)	0.031 (3)	−0.014 (2)	0.012 (2)	−0.013 (2)
C3	0.043 (3)	0.091 (4)	0.023 (3)	−0.030 (3)	0.014 (2)	−0.017 (3)
C4	0.042 (3)	0.095 (4)	0.046 (4)	−0.032 (3)	0.027 (3)	−0.047 (3)
C5	0.032 (3)	0.068 (3)	0.062 (4)	−0.011 (2)	0.014 (2)	−0.042 (3)
C6	0.026 (2)	0.054 (3)	0.045 (4)	0.001 (2)	0.005 (2)	−0.029 (2)
C7	0.019 (2)	0.033 (2)	0.024 (3)	0.0075 (16)	0.0022 (17)	−0.0007 (19)
C8	0.018 (2)	0.041 (2)	0.034 (3)	0.0026 (18)	−0.0010 (18)	0.004 (2)
C9	0.019 (2)	0.059 (3)	0.046 (4)	0.0065 (19)	0.000 (2)	0.006 (2)
C10	0.035 (3)	0.048 (3)	0.042 (4)	0.017 (2)	0.000 (2)	0.000 (2)
C11	0.037 (3)	0.038 (2)	0.048 (4)	0.0157 (19)	−0.002 (2)	−0.007 (2)
C12	0.022 (2)	0.035 (2)	0.040 (3)	0.0059 (18)	−0.0022 (18)	0.003 (2)
C13	0.016 (2)	0.029 (2)	0.033 (3)	−0.0012 (16)	0.0050 (17)	0.0008 (19)
C14	0.030 (2)	0.039 (3)	0.053 (4)	−0.0142 (19)	−0.001 (2)	0.011 (2)
C15	0.047 (3)	0.047 (3)	0.083 (6)	−0.024 (2)	−0.006 (3)	0.019 (3)
C16	0.051 (3)	0.064 (3)	0.072 (5)	−0.009 (3)	0.015 (3)	0.030 (3)
C17	0.053 (3)	0.057 (3)	0.042 (4)	−0.006 (2)	0.018 (3)	0.013 (3)
C18	0.040 (3)	0.044 (3)	0.036 (4)	−0.004 (2)	0.014 (2)	0.003 (2)
C19	0.028 (2)	0.0198 (18)	0.021 (3)	0.0016 (17)	−0.0021 (17)	−0.0044 (18)
C20	0.036 (2)	0.028 (2)	0.029 (3)	0.0061 (18)	−0.006 (2)	−0.0006 (19)
C21	0.063 (3)	0.035 (2)	0.026 (3)	0.008 (2)	−0.010 (2)	0.002 (2)
C22	0.070 (3)	0.033 (2)	0.023 (3)	0.000 (2)	0.002 (2)	0.004 (2)
C23	0.052 (3)	0.043 (3)	0.027 (4)	−0.001 (2)	0.012 (2)	0.005 (2)
C24	0.038 (2)	0.029 (2)	0.023 (3)	0.0043 (17)	0.0023 (19)	0.0013 (18)
C25	0.020 (2)	0.0200 (19)	0.026 (3)	0.0029 (15)	0.0021 (17)	−0.0020 (17)
C26	0.034 (2)	0.021 (2)	0.026 (3)	0.0030 (16)	−0.0016 (19)	−0.0075 (17)
C27	0.037 (2)	0.031 (2)	0.042 (4)	0.0079 (19)	0.002 (2)	−0.007 (2)
C28	0.035 (2)	0.032 (2)	0.047 (4)	0.0144 (19)	−0.002 (2)	−0.004 (2)
C29	0.044 (3)	0.035 (2)	0.031 (3)	0.0124 (19)	−0.005 (2)	−0.001 (2)
C30	0.041 (2)	0.024 (2)	0.026 (3)	0.0057 (19)	0.0024 (19)	−0.004 (2)
C31	0.024 (2)	0.044 (3)	0.028 (3)	−0.0064 (18)	0.0015 (19)	−0.008 (2)
C32	0.055 (3)	0.046 (3)	0.039 (4)	−0.024 (2)	−0.001 (2)	0.000 (2)
C33	0.057 (4)	0.086 (4)	0.062 (5)	−0.036 (3)	0.018 (3)	−0.021 (3)
C34A	0.083 (9)	0.065 (8)	0.049 (9)	−0.057 (7)	0.020 (7)	−0.024 (7)
C35A	0.047 (11)	0.064 (11)	0.037 (11)	−0.028 (8)	−0.007 (9)	−0.008 (8)
C36A	0.054 (6)	0.044 (5)	0.020 (6)	−0.015 (5)	0.011 (4)	−0.012 (5)
C34B	0.028 (5)	0.041 (6)	0.045 (8)	−0.003 (4)	0.002 (5)	−0.015 (5)
C35B	0.024 (7)	0.059 (10)	0.038 (10)	−0.011 (6)	0.001 (6)	−0.021 (7)
C36B	0.030 (5)	0.049 (5)	0.013 (6)	−0.012 (4)	−0.006 (4)	−0.009 (4)
C40	0.020 (2)	0.031 (2)	0.023 (3)	−0.0005 (17)	−0.0019 (18)	−0.002 (2)
C41	0.025 (2)	0.026 (2)	0.030 (3)	−0.0044 (17)	0.001 (2)	−0.0078 (19)
C42	0.015 (2)	0.017 (2)	0.031 (3)	0.0017 (15)	0.0017 (18)	−0.0046 (18)
C43	0.029 (2)	0.029 (2)	0.021 (3)	0.0004 (18)	−0.0002 (19)	−0.0065 (18)
C44	0.033 (2)	0.028 (2)	0.019 (3)	−0.0028 (18)	0.0041 (19)	0.0060 (18)
C45	0.034 (2)	0.028 (2)	0.019 (3)	0.0051 (18)	−0.0006 (19)	0.0078 (18)
C46	0.033 (2)	0.027 (2)	0.028 (3)	−0.0020 (18)	0.003 (2)	0.001 (2)
C47	0.025 (2)	0.026 (2)	0.021 (3)	0.0013 (18)	0.0108 (18)	−0.0055 (18)
C48	0.022 (2)	0.026 (2)	0.032 (3)	0.0034 (17)	−0.0017 (18)	0.002 (2)
C49	0.036 (2)	0.023 (2)	0.016 (3)	0.0042 (17)	0.0004 (19)	−0.0043 (18)
O1	0.0414 (18)	0.0408 (19)	0.038 (2)	−0.0036 (14)	−0.0034 (15)	0.0148 (16)
O2	0.0332 (17)	0.051 (2)	0.042 (2)	−0.0029 (14)	0.0123 (15)	−0.0221 (16)
O3	0.0312 (16)	0.0286 (16)	0.028 (2)	0.0010 (11)	0.0059 (13)	0.0054 (13)
O4	0.0272 (17)	0.0428 (18)	0.046 (2)	0.0054 (13)	−0.0073 (15)	−0.0031 (15)
O5	0.0357 (18)	0.057 (2)	0.054 (3)	0.0181 (15)	0.0059 (16)	0.0183 (17)
O6	0.059 (2)	0.0237 (16)	0.039 (2)	−0.0117 (14)	−0.0120 (15)	−0.0042 (14)
O7	0.053 (2)	0.052 (2)	0.031 (3)	−0.0084 (15)	0.0138 (17)	−0.0005 (16)
O8	0.0227 (15)	0.0529 (19)	0.032 (2)	0.0098 (13)	0.0019 (13)	−0.0054 (14)
O9	0.0462 (18)	0.0287 (17)	0.061 (3)	0.0046 (13)	−0.0118 (16)	−0.0281 (16)
O10	0.063 (2)	0.0420 (18)	0.023 (2)	−0.0037 (15)	0.0087 (16)	0.0049 (15)
P1	0.0174 (5)	0.0262 (5)	0.0212 (7)	−0.0002 (4)	0.0025 (4)	−0.0035 (4)
P2	0.0229 (5)	0.0178 (5)	0.0215 (7)	0.0016 (4)	−0.0002 (4)	−0.0028 (4)
Ru1	0.01571 (15)	0.01998 (15)	0.0189 (2)	0.00108 (12)	0.00152 (13)	−0.00231 (14)
Ru2	0.01794 (16)	0.01648 (15)	0.0181 (2)	0.00068 (12)	0.00008 (13)	−0.00206 (13)
Ru3	0.02359 (17)	0.01853 (15)	0.0184 (2)	−0.00035 (13)	0.00140 (13)	0.00086 (14)
Ru4	0.01733 (16)	0.01826 (15)	0.0180 (2)	0.00146 (13)	0.00153 (13)	−0.00295 (14)

Geometric parameters (Å, º) top

C1—C6	1.536 (5)	C26—H26A	0.9900
C1—C2	1.546 (6)	C26—H26B	0.9900
C1—P1	1.836 (4)	C27—C28	1.528 (6)
C1—H1A	1.0000	C27—H27A	0.9900
C2—C3	1.528 (6)	C27—H27B	0.9900
C2—H2A	0.9900	C28—C29	1.528 (6)
C2—H2B	0.9900	C28—H28A	0.9900
C3—C4	1.514 (7)	C28—H28B	0.9900
C3—H3A	0.9900	C29—C30	1.534 (5)
C3—H3B	0.9900	C29—H29A	0.9900
C4—C5	1.516 (7)	C29—H29B	0.9900
C4—H4A	0.9900	C30—H30A	0.9900
C4—H4B	0.9900	C30—H30B	0.9900
C5—C6	1.534 (6)	C31—C36A	1.444 (9)
C5—H5A	0.9900	C31—C36B	1.500 (9)
C5—H5B	0.9900	C31—C32	1.507 (6)
C6—H6A	0.9900	C31—P2	1.868 (4)
C6—H6B	0.9900	C31—H31	1.0000
C7—C8	1.535 (5)	C32—C33	1.488 (6)
C7—C12	1.546 (5)	C32—H32A	0.9900
C7—P1	1.869 (3)	C32—H32B	0.9900
C7—H7	1.0000	C33—C34B	1.421 (11)
C8—C9	1.530 (5)	C33—C34A	1.457 (11)
C8—H8A	0.9900	C33—H33A	0.9900
C8—H8B	0.9900	C33—H33B	0.9900
C9—C10	1.516 (6)	C34A—C35A	1.50 (3)
C9—H9A	0.9900	C34A—H34A	0.9900
C9—H9B	0.9900	C34A—H34B	0.9900
C10—C11	1.533 (6)	C35A—C36A	1.55 (2)
C10—H10A	0.9900	C35A—H35A	0.9900
C10—H10B	0.9900	C35A—H35B	0.9900
C11—C12	1.532 (5)	C36A—H36A	0.9900
C11—H11A	0.9900	C36A—H36B	0.9900
C11—H11B	0.9900	C34B—C35B	1.47 (3)
C12—H12A	0.9900	C34B—H34C	0.9900
C12—H12B	0.9900	C34B—H34D	0.9900
C13—C18	1.527 (6)	C35B—C36B	1.55 (2)
C13—C14	1.542 (5)	C35B—H35C	0.9900
C13—P1	1.866 (4)	C35B—H35D	0.9900
C13—H13	1.0000	C36B—H36C	0.9900
C14—C15	1.536 (6)	C36B—H36D	0.9900
C14—H14A	0.9900	C40—O1	1.151 (5)
C14—H14B	0.9900	C40—Ru1	1.887 (4)
C15—C16	1.511 (7)	C41—O2	1.162 (5)
C15—H15A	0.9900	C41—Ru1	1.867 (4)
C15—H15B	0.9900	C42—O3	1.154 (4)
C16—C17	1.516 (6)	C42—Ru2	1.873 (4)
C16—H16A	0.9900	C43—O4	1.173 (4)
C16—H16B	0.9900	C43—Ru2	1.861 (4)
C17—C18	1.524 (6)	C44—O5	1.159 (4)
C17—H17A	0.9900	C44—Ru3	1.884 (4)
C17—H17B	0.9900	C45—O6	1.149 (4)
C18—H18A	0.9900	C45—Ru3	1.892 (4)
C18—H18B	0.9900	C46—O7	1.140 (5)
C19—C24	1.534 (5)	C46—Ru3	1.918 (5)
C19—C20	1.540 (5)	C47—O8	1.152 (4)
C19—P2	1.860 (4)	C47—Ru4	1.873 (4)
C19—H19	1.0000	C48—O9	1.146 (4)
C20—C21	1.520 (6)	C48—Ru4	1.908 (4)
C20—H20A	0.9900	C49—O10	1.159 (5)
C20—H20B	0.9900	C49—Ru4	1.885 (5)
C21—C22	1.509 (6)	P1—Ru1	2.3894 (12)
C21—H21A	0.9900	P2—Ru2	2.3824 (11)
C21—H21B	0.9900	Ru1—Ru4	3.0031 (9)
C22—C23	1.512 (6)	Ru1—Ru3	3.0267 (7)
C22—H22A	0.9900	Ru1—Ru2	3.0484 (12)
C22—H22B	0.9900	Ru1—H1	1.7783
C23—C24	1.516 (6)	Ru1—H2	1.7988
C23—H23A	0.9900	Ru1—H4	1.7228
C23—H23B	0.9900	Ru2—Ru4	2.7977 (6)
C24—H24A	0.9900	Ru2—Ru3	2.9600 (7)
C24—H24B	0.9900	Ru2—H3	1.8110
C25—C30	1.535 (6)	Ru2—H4	1.7271
C25—C26	1.536 (5)	Ru3—Ru4	2.7824 (8)
C25—P2	1.859 (3)	Ru3—H2	1.7063
C25—H25	1.0000	Ru3—H3	1.7670
C26—C27	1.527 (5)	Ru4—H1	1.8006

C6—C1—C2	110.4 (3)	P2—C31—H31	97.1
C6—C1—P1	112.2 (3)	C33—C32—C31	116.1 (4)
C2—C1—P1	113.1 (3)	C33—C32—H32A	108.3
C6—C1—H1A	106.9	C31—C32—H32A	108.3
C2—C1—H1A	106.9	C33—C32—H32B	108.3
P1—C1—H1A	106.9	C31—C32—H32B	108.3
C3—C2—C1	109.9 (4)	H32A—C32—H32B	107.4
C3—C2—H2A	109.7	C34B—C33—C34A	43.3 (6)
C1—C2—H2A	109.7	C34B—C33—C32	119.5 (6)
C3—C2—H2B	109.7	C34A—C33—C32	119.2 (6)
C1—C2—H2B	109.7	C34B—C33—H33A	132.5
H2A—C2—H2B	108.2	C34A—C33—H33A	107.5
C4—C3—C2	111.6 (4)	C32—C33—H33A	107.5
C4—C3—H3A	109.3	C34B—C33—H33B	66.6
C2—C3—H3A	109.3	C34A—C33—H33B	107.5
C4—C3—H3B	109.3	C32—C33—H33B	107.5
C2—C3—H3B	109.3	H33A—C33—H33B	107.0
H3A—C3—H3B	108.0	C33—C34A—C35A	118.2 (10)
C3—C4—C5	111.1 (4)	C33—C34A—H34A	107.7
C3—C4—H4A	109.4	C35A—C34A—H34A	107.8
C5—C4—H4A	109.4	C33—C34A—H34B	107.7
C3—C4—H4B	109.4	C35A—C34A—H34B	107.7
C5—C4—H4B	109.4	H34A—C34A—H34B	107.1
H4A—C4—H4B	108.0	C34A—C35A—C36A	112.6 (14)
C4—C5—C6	112.4 (4)	C34A—C35A—H35A	109.1
C4—C5—H5A	109.1	C36A—C35A—H35A	109.1
C6—C5—H5A	109.1	C34A—C35A—H35B	109.1
C4—C5—H5B	109.1	C36A—C35A—H35B	109.1
C6—C5—H5B	109.1	H35A—C35A—H35B	107.8
H5A—C5—H5B	107.9	C31—C36A—C35A	111.4 (9)
C5—C6—C1	111.7 (4)	C31—C36A—H36A	109.3
C5—C6—H6A	109.3	C35A—C36A—H36A	109.3
C1—C6—H6A	109.3	C31—C36A—H36B	109.3
C5—C6—H6B	109.3	C35A—C36A—H36B	109.3
C1—C6—H6B	109.3	H36A—C36A—H36B	108.0
H6A—C6—H6B	107.9	C33—C34B—C35B	113.3 (9)
C8—C7—C12	107.2 (3)	C33—C34B—H34C	108.9
C8—C7—P1	115.3 (3)	C35B—C34B—H34C	108.9
C12—C7—P1	116.1 (2)	C33—C34B—H34D	108.9
C8—C7—H7	105.8	C35B—C34B—H34D	108.9
C12—C7—H7	105.8	H34C—C34B—H34D	107.7
P1—C7—H7	105.8	C34B—C35B—C36B	110.5 (13)
C9—C8—C7	112.0 (3)	C34B—C35B—H35C	109.6
C9—C8—H8A	109.2	C36B—C35B—H35C	109.6
C7—C8—H8A	109.2	C34B—C35B—H35D	109.6
C9—C8—H8B	109.2	C36B—C35B—H35D	109.6
C7—C8—H8B	109.2	H35C—C35B—H35D	108.1
H8A—C8—H8B	107.9	C31—C36B—C35B	113.7 (10)
C10—C9—C8	112.1 (3)	C31—C36B—H36C	108.8
C10—C9—H9A	109.2	C35B—C36B—H36C	108.8
C8—C9—H9A	109.2	C31—C36B—H36D	108.8
C10—C9—H9B	109.2	C35B—C36B—H36D	108.8
C8—C9—H9B	109.2	H36C—C36B—H36D	107.7
H9A—C9—H9B	107.9	O1—C40—Ru1	175.3 (3)
C9—C10—C11	111.4 (4)	O2—C41—Ru1	177.2 (4)
C9—C10—H10A	109.4	O3—C42—Ru2	177.3 (3)
C11—C10—H10A	109.4	O4—C43—Ru2	177.4 (4)
C9—C10—H10B	109.4	O5—C44—Ru3	177.5 (4)
C11—C10—H10B	109.4	O6—C45—Ru3	177.2 (4)
H10A—C10—H10B	108.0	O7—C46—Ru3	175.4 (4)
C12—C11—C10	110.7 (3)	O8—C47—Ru4	176.5 (3)
C12—C11—H11A	109.5	O9—C48—Ru4	173.7 (4)
C10—C11—H11A	109.5	O10—C49—Ru4	176.2 (4)
C12—C11—H11B	109.5	C1—P1—C13	104.16 (18)
C10—C11—H11B	109.5	C1—P1—C7	104.77 (18)
H11A—C11—H11B	108.1	C13—P1—C7	104.65 (18)
C11—C12—C7	111.1 (3)	C1—P1—Ru1	117.90 (12)
C11—C12—H12A	109.4	C13—P1—Ru1	111.39 (12)
C7—C12—H12A	109.4	C7—P1—Ru1	112.78 (12)
C11—C12—H12B	109.4	C25—P2—C19	102.79 (17)
C7—C12—H12B	109.4	C25—P2—C31	104.10 (18)
H12A—C12—H12B	108.0	C19—P2—C31	103.43 (19)
C18—C13—C14	108.9 (3)	C25—P2—Ru2	112.76 (12)
C18—C13—P1	114.0 (3)	C19—P2—Ru2	115.59 (12)
C14—C13—P1	115.8 (3)	C31—P2—Ru2	116.56 (14)
C18—C13—H13	105.7	C41—Ru1—C40	98.74 (18)
C14—C13—H13	105.7	C41—Ru1—P1	86.69 (12)
P1—C13—H13	105.7	C40—Ru1—P1	93.62 (11)
C15—C14—C13	110.1 (4)	C41—Ru1—Ru4	154.46 (12)
C15—C14—H14A	109.6	C40—Ru1—Ru4	95.26 (12)
C13—C14—H14A	109.6	P1—Ru1—Ru4	113.69 (3)
C15—C14—H14B	109.6	C41—Ru1—Ru3	104.94 (13)
C13—C14—H14B	109.6	C40—Ru1—Ru3	147.40 (11)
H14A—C14—H14B	108.2	P1—Ru1—Ru3	109.62 (3)
C16—C15—C14	111.7 (4)	Ru4—Ru1—Ru3	54.960 (18)
C16—C15—H15A	109.3	C41—Ru1—Ru2	102.24 (12)
C14—C15—H15A	109.3	C40—Ru1—Ru2	95.19 (11)
C16—C15—H15B	109.3	P1—Ru1—Ru2	166.33 (3)
C14—C15—H15B	109.3	Ru4—Ru1—Ru2	55.07 (2)
H15A—C15—H15B	107.9	Ru3—Ru1—Ru2	58.316 (16)
C15—C16—C17	110.7 (4)	C41—Ru1—H1	168.9
C15—C16—H16A	109.5	C40—Ru1—H1	85.5
C17—C16—H16A	109.5	P1—Ru1—H1	82.8
C15—C16—H16B	109.5	Ru4—Ru1—H1	33.2
C17—C16—H16B	109.5	Ru3—Ru1—H1	75.5
H16A—C16—H16B	108.1	Ru2—Ru1—H1	87.5
C16—C17—C18	110.9 (4)	C41—Ru1—H2	86.1
C16—C17—H17A	109.5	C40—Ru1—H2	175.2
C18—C17—H17A	109.5	P1—Ru1—H2	86.5
C16—C17—H17B	109.5	Ru4—Ru1—H2	80.3
C18—C17—H17B	109.5	Ru3—Ru1—H2	29.4
H17A—C17—H17B	108.1	Ru2—Ru1—H2	83.9
C17—C18—C13	111.6 (4)	H1—Ru1—H2	89.7
C17—C18—H18A	109.3	C41—Ru1—H4	79.7
C13—C18—H18A	109.3	C40—Ru1—H4	82.4
C17—C18—H18B	109.3	P1—Ru1—H4	165.1
C13—C18—H18B	109.3	Ru4—Ru1—H4	81.1
H18A—C18—H18B	108.0	Ru3—Ru1—H4	80.2
C24—C19—C20	109.5 (3)	Ru2—Ru1—H4	28.0
C24—C19—P2	113.0 (3)	H1—Ru1—H4	111.1
C20—C19—P2	112.5 (3)	H2—Ru1—H4	98.7
C24—C19—H19	107.2	C43—Ru2—C42	95.43 (17)
C20—C19—H19	107.2	C43—Ru2—P2	91.06 (12)
P2—C19—H19	107.2	C42—Ru2—P2	95.56 (11)
C21—C20—C19	111.4 (3)	C43—Ru2—Ru4	99.75 (12)
C21—C20—H20A	109.3	C42—Ru2—Ru4	85.22 (11)
C19—C20—H20A	109.3	P2—Ru2—Ru4	169.05 (3)
C21—C20—H20B	109.3	C43—Ru2—Ru3	100.09 (12)
C19—C20—H20B	109.3	C42—Ru2—Ru3	141.60 (11)
H20A—C20—H20B	108.0	P2—Ru2—Ru3	118.85 (3)
C22—C21—C20	111.2 (4)	Ru4—Ru2—Ru3	57.714 (18)
C22—C21—H21A	109.4	C43—Ru2—Ru1	157.79 (11)
C20—C21—H21A	109.4	C42—Ru2—Ru1	94.91 (11)
C22—C21—H21B	109.4	P2—Ru2—Ru1	107.43 (3)
C20—C21—H21B	109.4	Ru4—Ru2—Ru1	61.642 (11)
H21A—C21—H21B	108.0	Ru3—Ru2—Ru1	60.475 (14)
C21—C22—C23	111.9 (4)	C43—Ru2—H3	90.5
C21—C22—H22A	109.2	C42—Ru2—H3	173.5
C23—C22—H22A	109.2	P2—Ru2—H3	87.1
C21—C22—H22B	109.2	Ru4—Ru2—H3	91.1
C23—C22—H22B	109.2	Ru3—Ru2—H3	33.7
H22A—C22—H22B	107.9	Ru1—Ru2—H3	78.6
C22—C23—C24	113.0 (4)	C43—Ru2—H4	172.6
C22—C23—H23A	109.0	C42—Ru2—H4	86.9
C24—C23—H23A	109.0	P2—Ru2—H4	81.7
C22—C23—H23B	109.0	Ru4—Ru2—H4	87.4
C24—C23—H23B	109.0	Ru3—Ru2—H4	82.1
H23A—C23—H23B	107.8	Ru1—Ru2—H4	27.9
C23—C24—C19	110.8 (3)	H3—Ru2—H4	87.6
C23—C24—H24A	109.5	C44—Ru3—C45	92.15 (16)
C19—C24—H24A	109.5	C44—Ru3—C46	94.89 (17)
C23—C24—H24B	109.5	C45—Ru3—C46	100.00 (17)
C19—C24—H24B	109.5	C44—Ru3—Ru4	94.07 (13)
H24A—C24—H24B	108.1	C45—Ru3—Ru4	80.49 (13)
C30—C25—C26	109.1 (3)	C46—Ru3—Ru4	171.00 (12)
C30—C25—P2	115.2 (3)	C44—Ru3—Ru2	95.16 (11)
C26—C25—P2	116.3 (3)	C45—Ru3—Ru2	138.42 (13)
C30—C25—H25	105.0	C46—Ru3—Ru2	119.97 (11)
C26—C25—H25	105.0	Ru4—Ru3—Ru2	58.216 (12)
P2—C25—H25	105.0	C44—Ru3—Ru1	152.36 (12)
C27—C26—C25	110.8 (3)	C45—Ru3—Ru1	96.96 (11)
C27—C26—H26A	109.5	C46—Ru3—Ru1	109.02 (12)
C25—C26—H26A	109.5	Ru4—Ru3—Ru1	62.088 (18)
C27—C26—H26B	109.5	Ru2—Ru3—Ru1	61.21 (2)
C25—C26—H26B	109.5	C44—Ru3—H2	176.4
H26A—C26—H26B	108.1	C45—Ru3—H2	86.0
C26—C27—C28	111.9 (4)	C46—Ru3—H2	82.4
C26—C27—H27A	109.2	Ru4—Ru3—H2	88.7
C28—C27—H27A	109.2	Ru2—Ru3—H2	88.2
C26—C27—H27B	109.2	Ru1—Ru3—H2	31.2
C28—C27—H27B	109.2	C44—Ru3—H3	88.1
H27A—C27—H27B	107.9	C45—Ru3—H3	173.0
C29—C28—C27	110.7 (3)	C46—Ru3—H3	87.0
C29—C28—H28A	109.5	Ru4—Ru3—H3	92.5
C27—C28—H28A	109.5	Ru2—Ru3—H3	34.7
C29—C28—H28B	109.5	Ru1—Ru3—H3	79.8
C27—C28—H28B	109.5	H2—Ru3—H3	94.1
H28A—C28—H28B	108.1	C47—Ru4—C49	94.43 (17)
C28—C29—C30	111.4 (3)	C47—Ru4—C48	94.08 (16)
C28—C29—H29A	109.3	C49—Ru4—C48	92.39 (17)
C30—C29—H29A	109.3	C47—Ru4—Ru3	90.15 (12)
C28—C29—H29B	109.3	C49—Ru4—Ru3	160.56 (12)
C30—C29—H29B	109.3	C48—Ru4—Ru3	106.14 (13)
H29A—C29—H29B	108.0	C47—Ru4—Ru2	82.96 (12)
C25—C30—C29	110.3 (3)	C49—Ru4—Ru2	97.72 (12)
C25—C30—H30A	109.6	C48—Ru4—Ru2	169.65 (13)
C29—C30—H30A	109.6	Ru3—Ru4—Ru2	64.070 (18)
C25—C30—H30B	109.6	C47—Ru4—Ru1	143.19 (12)
C29—C30—H30B	109.6	C49—Ru4—Ru1	103.79 (11)
H30A—C30—H30B	108.1	C48—Ru4—Ru1	116.41 (11)
C36A—C31—C36B	53.4 (5)	Ru3—Ru4—Ru1	62.952 (13)
C36A—C31—C32	121.6 (5)	Ru2—Ru4—Ru1	63.29 (2)
C36B—C31—C32	111.7 (5)	C47—Ru4—H1	172.1
C36A—C31—P2	119.3 (4)	C49—Ru4—H1	93.4
C36B—C31—P2	122.3 (4)	C48—Ru4—H1	86.4
C32—C31—P2	114.7 (3)	Ru3—Ru4—H1	82.2
C36A—C31—H31	97.1	Ru2—Ru4—H1	95.2
C36B—C31—H31	44.3	Ru1—Ru4—H1	32.7
C32—C31—H31	97.1

C6—C1—C2—C3	−56.7 (4)	C41—Ru1—Ru2—P2	13.65 (13)
P1—C1—C2—C3	176.6 (3)	C40—Ru1—Ru2—P2	−86.48 (13)
C1—C2—C3—C4	58.5 (4)	P1—Ru1—Ru2—P2	143.60 (13)
C2—C3—C4—C5	−57.0 (5)	Ru4—Ru1—Ru2—P2	−179.28 (3)
C3—C4—C5—C6	53.8 (5)	Ru3—Ru1—Ru2—P2	113.79 (4)
C4—C5—C6—C1	−53.1 (5)	C41—Ru1—Ru2—Ru4	−167.07 (13)
C2—C1—C6—C5	54.2 (4)	C40—Ru1—Ru2—Ru4	92.80 (13)
P1—C1—C6—C5	−178.6 (3)	P1—Ru1—Ru2—Ru4	−37.12 (13)
C12—C7—C8—C9	58.3 (5)	Ru3—Ru1—Ru2—Ru4	−66.93 (2)
P1—C7—C8—C9	−170.7 (3)	C41—Ru1—Ru2—Ru3	−100.15 (13)
C7—C8—C9—C10	−56.0 (5)	C40—Ru1—Ru2—Ru3	159.73 (12)
C8—C9—C10—C11	52.5 (5)	P1—Ru1—Ru2—Ru3	29.81 (13)
C9—C10—C11—C12	−53.9 (5)	Ru4—Ru1—Ru2—Ru3	66.93 (2)
C10—C11—C12—C7	58.9 (5)	O5—C44—Ru3—C45	95 (8)
C8—C7—C12—C11	−60.1 (5)	O5—C44—Ru3—C46	−5 (8)
P1—C7—C12—C11	169.4 (3)	O5—C44—Ru3—Ru4	176 (100)
C18—C13—C14—C15	57.1 (5)	O5—C44—Ru3—Ru2	−126 (8)
P1—C13—C14—C15	−172.9 (3)	O5—C44—Ru3—Ru1	−155 (8)
C13—C14—C15—C16	−57.4 (5)	O6—C45—Ru3—C44	−73 (7)
C14—C15—C16—C17	56.3 (5)	O6—C45—Ru3—C46	22 (7)
C15—C16—C17—C18	−55.7 (5)	O6—C45—Ru3—Ru4	−167 (7)
C16—C17—C18—C13	57.6 (5)	O6—C45—Ru3—Ru2	−173 (7)
C14—C13—C18—C17	−57.9 (4)	O6—C45—Ru3—Ru1	133 (7)
P1—C13—C18—C17	171.1 (3)	O7—C46—Ru3—C44	92 (5)
C24—C19—C20—C21	57.5 (4)	O7—C46—Ru3—C45	−1 (5)
P2—C19—C20—C21	−176.0 (3)	O7—C46—Ru3—Ru4	−94 (5)
C19—C20—C21—C22	−56.4 (4)	O7—C46—Ru3—Ru2	−169 (5)
C20—C21—C22—C23	53.4 (5)	O7—C46—Ru3—Ru1	−102 (5)
C21—C22—C23—C24	−53.2 (5)	C43—Ru2—Ru3—C44	3.63 (19)
C22—C23—C24—C19	54.6 (5)	C42—Ru2—Ru3—C44	−108.7 (2)
C20—C19—C24—C23	−55.9 (4)	P2—Ru2—Ru3—C44	100.49 (14)
P2—C19—C24—C23	177.9 (3)	Ru4—Ru2—Ru3—C44	−91.59 (13)
C30—C25—C26—C27	−58.4 (4)	Ru1—Ru2—Ru3—C44	−164.86 (13)
P2—C25—C26—C27	169.3 (3)	C43—Ru2—Ru3—C45	102.8 (2)
C25—C26—C27—C28	56.6 (5)	C42—Ru2—Ru3—C45	−9.5 (2)
C26—C27—C28—C29	−54.1 (5)	P2—Ru2—Ru3—C45	−160.38 (17)
C27—C28—C29—C30	54.7 (5)	Ru4—Ru2—Ru3—C45	7.54 (16)
C26—C25—C30—C29	59.0 (4)	Ru1—Ru2—Ru3—C45	−65.73 (16)
P2—C25—C30—C29	−168.1 (3)	C43—Ru2—Ru3—C46	−95.05 (18)
C28—C29—C30—C25	−58.0 (5)	C42—Ru2—Ru3—C46	152.7 (2)
C36A—C31—C32—C33	−22.6 (8)	P2—Ru2—Ru3—C46	1.80 (14)
C36B—C31—C32—C33	36.8 (6)	Ru4—Ru2—Ru3—C46	169.73 (13)
P2—C31—C32—C33	−178.6 (4)	Ru1—Ru2—Ru3—C46	96.45 (13)
C31—C32—C33—C34B	−36.2 (8)	C43—Ru2—Ru3—Ru4	95.22 (13)
C31—C32—C33—C34A	13.8 (10)	C42—Ru2—Ru3—Ru4	−17.07 (16)
C34B—C33—C34A—C35A	77.3 (14)	P2—Ru2—Ru3—Ru4	−167.92 (3)
C32—C33—C34A—C35A	−25.9 (16)	Ru1—Ru2—Ru3—Ru4	−73.271 (17)
C33—C34A—C35A—C36A	43.2 (18)	C43—Ru2—Ru3—Ru1	168.49 (13)
C36B—C31—C36A—C35A	−54.8 (11)	C42—Ru2—Ru3—Ru1	56.20 (16)
C32—C31—C36A—C35A	40.0 (12)	P2—Ru2—Ru3—Ru1	−94.65 (3)
P2—C31—C36A—C35A	−165.1 (10)	Ru4—Ru2—Ru3—Ru1	73.271 (17)
C34A—C35A—C36A—C31	−48.6 (15)	C41—Ru1—Ru3—C44	129.4 (3)
C34A—C33—C34B—C35B	−58.6 (11)	C40—Ru1—Ru3—C44	−5.7 (4)
C32—C33—C34B—C35B	43.9 (13)	P1—Ru1—Ru3—C44	−138.7 (3)
C33—C34B—C35B—C36B	−51.6 (14)	Ru4—Ru1—Ru3—C44	−33.0 (3)
C36A—C31—C36B—C35B	66.6 (9)	Ru2—Ru1—Ru3—C44	34.1 (3)
C32—C31—C36B—C35B	−47.3 (9)	C41—Ru1—Ru3—C45	−122.21 (17)
P2—C31—C36B—C35B	171.2 (7)	C40—Ru1—Ru3—C45	102.6 (3)
C34B—C35B—C36B—C31	55.4 (12)	P1—Ru1—Ru3—C45	−30.39 (13)
C6—C1—P1—C13	55.3 (3)	Ru4—Ru1—Ru3—C45	75.34 (13)
C2—C1—P1—C13	−179.0 (3)	Ru2—Ru1—Ru3—C45	142.44 (13)
C6—C1—P1—C7	164.9 (3)	C41—Ru1—Ru3—C46	−19.08 (17)
C2—C1—P1—C7	−69.4 (3)	C40—Ru1—Ru3—C46	−154.2 (3)
C6—C1—P1—Ru1	−68.7 (3)	P1—Ru1—Ru3—C46	72.74 (13)
C2—C1—P1—Ru1	57.0 (3)	Ru4—Ru1—Ru3—C46	178.47 (12)
C18—C13—P1—C1	172.5 (3)	Ru2—Ru1—Ru3—C46	−114.42 (12)
C14—C13—P1—C1	45.0 (3)	C41—Ru1—Ru3—Ru4	162.45 (11)
C18—C13—P1—C7	62.8 (3)	C40—Ru1—Ru3—Ru4	27.3 (2)
C14—C13—P1—C7	−64.7 (3)	P1—Ru1—Ru3—Ru4	−105.73 (4)
C18—C13—P1—Ru1	−59.4 (3)	Ru2—Ru1—Ru3—Ru4	67.11 (2)
C14—C13—P1—Ru1	173.1 (3)	C41—Ru1—Ru3—Ru2	95.34 (12)
C8—C7—P1—C1	−30.6 (4)	C40—Ru1—Ru3—Ru2	−39.8 (2)
C12—C7—P1—C1	96.0 (3)	P1—Ru1—Ru3—Ru2	−172.83 (3)
C8—C7—P1—C13	78.7 (3)	Ru4—Ru1—Ru3—Ru2	−67.11 (2)
C12—C7—P1—C13	−154.7 (3)	O8—C47—Ru4—C49	70 (6)
C8—C7—P1—Ru1	−160.1 (3)	O8—C47—Ru4—C48	−23 (6)
C12—C7—P1—Ru1	−33.5 (3)	O8—C47—Ru4—Ru3	−129 (6)
C30—C25—P2—C19	−179.2 (3)	O8—C47—Ru4—Ru2	167 (6)
C26—C25—P2—C19	−49.8 (3)	O8—C47—Ru4—Ru1	−170 (6)
C30—C25—P2—C31	−71.6 (3)	O10—C49—Ru4—C47	−43 (6)
C26—C25—P2—C31	57.8 (3)	O10—C49—Ru4—C48	52 (6)
C30—C25—P2—Ru2	55.6 (3)	O10—C49—Ru4—Ru3	−146 (5)
C26—C25—P2—Ru2	−174.9 (2)	O10—C49—Ru4—Ru2	−126 (6)
C24—C19—P2—C25	−51.2 (3)	O10—C49—Ru4—Ru1	170 (6)
C20—C19—P2—C25	−175.8 (3)	O9—C48—Ru4—C47	58 (3)
C24—C19—P2—C31	−159.4 (3)	O9—C48—Ru4—C49	−37 (3)
C20—C19—P2—C31	76.0 (3)	O9—C48—Ru4—Ru3	149 (3)
C24—C19—P2—Ru2	72.0 (3)	O9—C48—Ru4—Ru2	131 (3)
C20—C19—P2—Ru2	−52.6 (3)	O9—C48—Ru4—Ru1	−143 (3)
C36A—C31—P2—C25	−77.9 (6)	C44—Ru3—Ru4—C47	11.46 (16)
C36B—C31—P2—C25	−140.9 (5)	C45—Ru3—Ru4—C47	102.97 (16)
C32—C31—P2—C25	78.7 (3)	C46—Ru3—Ru4—C47	−163.1 (8)
C36A—C31—P2—C19	29.3 (6)	Ru2—Ru3—Ru4—C47	−82.09 (11)
C36B—C31—P2—C19	−33.7 (5)	Ru1—Ru3—Ru4—C47	−153.86 (11)
C32—C31—P2—C19	−174.1 (3)	C44—Ru3—Ru4—C49	115.3 (4)
C36A—C31—P2—Ru2	157.3 (5)	C45—Ru3—Ru4—C49	−153.2 (4)
C36B—C31—P2—Ru2	94.3 (5)	C46—Ru3—Ru4—C49	−59.3 (8)
C32—C31—P2—Ru2	−46.1 (4)	Ru2—Ru3—Ru4—C49	21.7 (4)
O2—C41—Ru1—C40	−159 (7)	Ru1—Ru3—Ru4—C49	−50.0 (4)
O2—C41—Ru1—P1	−66 (7)	C44—Ru3—Ru4—C48	−82.83 (16)
O2—C41—Ru1—Ru4	79 (7)	C45—Ru3—Ru4—C48	8.68 (16)
O2—C41—Ru1—Ru3	44 (7)	C46—Ru3—Ru4—C48	102.6 (8)
O2—C41—Ru1—Ru2	104 (7)	Ru2—Ru3—Ru4—C48	−176.39 (11)
O1—C40—Ru1—C41	−146 (4)	Ru1—Ru3—Ru4—C48	111.85 (11)
O1—C40—Ru1—P1	127 (4)	C44—Ru3—Ru4—Ru2	93.56 (12)
O1—C40—Ru1—Ru4	13 (4)	C45—Ru3—Ru4—Ru2	−174.94 (11)
O1—C40—Ru1—Ru3	−9 (5)	C46—Ru3—Ru4—Ru2	−81.0 (7)
O1—C40—Ru1—Ru2	−43 (4)	Ru1—Ru3—Ru4—Ru2	−71.76 (2)
C1—P1—Ru1—C41	−161.4 (2)	C44—Ru3—Ru4—Ru1	165.32 (11)
C13—P1—Ru1—C41	78.30 (19)	C45—Ru3—Ru4—Ru1	−103.17 (11)
C7—P1—Ru1—C41	−39.0 (2)	C46—Ru3—Ru4—Ru1	−9.3 (7)
C1—P1—Ru1—C40	−62.83 (19)	Ru2—Ru3—Ru4—Ru1	71.76 (2)
C13—P1—Ru1—C40	176.86 (18)	C43—Ru2—Ru4—C47	−2.23 (18)
C7—P1—Ru1—C40	59.5 (2)	C42—Ru2—Ru4—C47	−96.94 (16)
C1—P1—Ru1—Ru4	34.52 (15)	P2—Ru2—Ru4—C47	168.5 (2)
C13—P1—Ru1—Ru4	−85.78 (14)	Ru3—Ru2—Ru4—C47	93.61 (12)
C7—P1—Ru1—Ru4	156.89 (15)	Ru1—Ru2—Ru4—C47	164.86 (12)
C1—P1—Ru1—Ru3	93.91 (15)	C43—Ru2—Ru4—C49	91.31 (17)
C13—P1—Ru1—Ru3	−26.39 (14)	C42—Ru2—Ru4—C49	−3.39 (16)
C7—P1—Ru1—Ru3	−143.72 (15)	P2—Ru2—Ru4—C49	−98.0 (2)
C1—P1—Ru1—Ru2	67.2 (2)	Ru3—Ru2—Ru4—C49	−172.85 (12)
C13—P1—Ru1—Ru2	−53.1 (2)	Ru1—Ru2—Ru4—C49	−101.60 (12)
C7—P1—Ru1—Ru2	−170.41 (17)	C43—Ru2—Ru4—C48	−76.2 (6)
O4—C43—Ru2—C42	−99 (9)	C42—Ru2—Ru4—C48	−170.9 (6)
O4—C43—Ru2—P2	−3 (9)	P2—Ru2—Ru4—C48	94.6 (6)
O4—C43—Ru2—Ru4	175 (100)	Ru3—Ru2—Ru4—C48	19.7 (6)
O4—C43—Ru2—Ru3	116 (9)	Ru1—Ru2—Ru4—C48	90.9 (6)
O4—C43—Ru2—Ru1	143 (9)	C43—Ru2—Ru4—Ru3	−95.84 (13)
O3—C42—Ru2—C43	−179 (100)	C42—Ru2—Ru4—Ru3	169.46 (10)
O3—C42—Ru2—P2	90 (7)	P2—Ru2—Ru4—Ru3	74.87 (16)
O3—C42—Ru2—Ru4	−79 (7)	Ru1—Ru2—Ru4—Ru3	71.253 (17)
O3—C42—Ru2—Ru3	−65 (7)	C43—Ru2—Ru4—Ru1	−167.09 (13)
O3—C42—Ru2—Ru1	−18 (7)	C42—Ru2—Ru4—Ru1	98.21 (10)
C25—P2—Ru2—C43	−164.09 (19)	P2—Ru2—Ru4—Ru1	3.62 (16)
C19—P2—Ru2—C43	78.07 (18)	Ru3—Ru2—Ru4—Ru1	−71.253 (17)
C31—P2—Ru2—C43	−43.8 (2)	C41—Ru1—Ru4—C47	4.8 (3)
C25—P2—Ru2—C42	−68.53 (17)	C40—Ru1—Ru4—C47	−118.3 (2)
C19—P2—Ru2—C42	173.63 (16)	P1—Ru1—Ru4—C47	145.4 (2)
C31—P2—Ru2—C42	51.81 (19)	Ru3—Ru1—Ru4—C47	47.34 (19)
C25—P2—Ru2—Ru4	25.1 (2)	Ru2—Ru1—Ru4—C47	−25.64 (19)
C19—P2—Ru2—Ru4	−92.8 (2)	C41—Ru1—Ru4—C49	122.3 (3)
C31—P2—Ru2—Ru4	145.4 (2)	C40—Ru1—Ru4—C49	−0.87 (17)
C25—P2—Ru2—Ru3	93.77 (14)	P1—Ru1—Ru4—C49	−97.17 (13)
C19—P2—Ru2—Ru3	−24.07 (13)	Ru3—Ru1—Ru4—C49	164.77 (12)
C31—P2—Ru2—Ru3	−145.89 (16)	Ru2—Ru1—Ru4—C49	91.80 (12)
C25—P2—Ru2—Ru1	28.40 (14)	C41—Ru1—Ru4—C48	−138.0 (3)
C19—P2—Ru2—Ru1	−89.44 (12)	C40—Ru1—Ru4—C48	98.91 (18)
C31—P2—Ru2—Ru1	148.74 (16)	P1—Ru1—Ru4—C48	2.61 (15)
C41—Ru1—Ru2—C43	−131.5 (4)	Ru3—Ru1—Ru4—C48	−95.45 (14)
C40—Ru1—Ru2—C43	128.4 (4)	Ru2—Ru1—Ru4—C48	−168.43 (14)
P1—Ru1—Ru2—C43	−1.5 (4)	C41—Ru1—Ru4—Ru3	−42.5 (3)
Ru4—Ru1—Ru2—C43	35.6 (4)	C40—Ru1—Ru4—Ru3	−165.64 (11)
Ru3—Ru1—Ru2—C43	−31.3 (4)	P1—Ru1—Ru4—Ru3	98.06 (4)
C41—Ru1—Ru2—C42	111.06 (17)	Ru2—Ru1—Ru4—Ru3	−72.980 (19)
C40—Ru1—Ru2—C42	10.93 (16)	C41—Ru1—Ru4—Ru2	30.5 (3)
P1—Ru1—Ru2—C42	−118.99 (17)	C40—Ru1—Ru4—Ru2	−92.66 (12)
Ru4—Ru1—Ru2—C42	−81.87 (11)	P1—Ru1—Ru4—Ru2	171.04 (3)
Ru3—Ru1—Ru2—C42	−148.80 (11)	Ru3—Ru1—Ru4—Ru2	72.980 (19)

Experimental details

Crystal data
Chemical formula	[Ru₄H₄(C₁₈H₃₃P)₂(CO)₁₀]
M_r	1249.24
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	153
a, b, c (Å)	12.461 (5), 23.934 (5), 18.541 (5)
β (°)	96.545 (5)
V (Å³)	5494 (3)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.19
Crystal size (mm)	0.30 × 0.30 × 0.12

Data collection
Diffractometer	Stoe & Cie IPDS diffractometer
Absorption correction	Empirical (using intensity measurements) (Walker & Stuart, 1983)
T_min, T_max	0.641, 0.895
No. of measured, independent and observed [I > 2σ(I)] reflections	38794, 10053, 6046
R_int	0.057
(sin θ/λ)_max (Å⁻¹)	0.615

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.027, 0.045, 0.75
No. of reflections	10053
No. of parameters	586
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.48, −0.49

Computer programs: EXPOSE in IPDS Software (Stoe & Cie, 2000), CELL in IPDS Software, INTEGRATE in IPDS Software, SHELXS97 (Sheldrick, 1990), SHELXL97 (Sheldrick, 1997), ORTEP-3 (Farrugia, 1997), SHELXL97.

Selected geometric parameters (Å, º) top

P1—Ru1	2.3894 (12)	Ru1—Ru2	3.0484 (12)
P2—Ru2	2.3824 (11)	Ru2—Ru4	2.7977 (6)
Ru1—Ru4	3.0031 (9)	Ru2—Ru3	2.9600 (7)
Ru1—Ru3	3.0267 (7)	Ru3—Ru4	2.7824 (8)

P1—Ru1—Ru4	113.69 (3)	P2—Ru2—Ru1	107.43 (3)
P1—Ru1—Ru3	109.62 (3)	Ru4—Ru2—Ru1	61.642 (11)
Ru4—Ru1—Ru3	54.960 (18)	Ru3—Ru2—Ru1	60.475 (14)
P1—Ru1—Ru2	166.33 (3)	Ru4—Ru3—Ru2	58.216 (12)
Ru4—Ru1—Ru2	55.07 (2)	Ru4—Ru3—Ru1	62.088 (18)
Ru3—Ru1—Ru2	58.316 (16)	Ru2—Ru3—Ru1	61.21 (2)
P2—Ru2—Ru4	169.05 (3)	Ru3—Ru4—Ru2	64.070 (18)
P2—Ru2—Ru3	118.85 (3)	Ru3—Ru4—Ru1	62.952 (13)
Ru4—Ru2—Ru3	57.714 (18)	Ru2—Ru4—Ru1	63.29 (2)

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page

Deca­carbonyl­tetra-μ-hydrido-bis­(tri­cyclohexylphosphine)-tetrahedro-tetraruthenium

Supporting information

Key indicators

checkCIF results

Decacarbonyltetra-μ-hydrido-bis(tricyclohexylphosphine)-tetrahedro-tetraruthenium