(tert-Butyl isocyanide)­tetra­carbonyl­[N-(1,2,3,4-tetra­phenyl­buta­dienyl)benzo­phenone imine]­diruthenium(I)

García-Granda, S.; Pérez-Priede, M.; Vandermaelen, J.F.; Cabeza, J.A.

doi:10.1107/S1600536801005207

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(tert-Butyl isocyanide)tetracarbonyl[N-(1,2,3,4-tetraphenylbutadienyl)benzophenone imine]diruthenium(I)

S. García-Granda, M. Pérez-Priede, J. F. Vandermaelen and J. A. Cabeza

The reaction of [Ru₂{μ-PhC=CPh-CPh=CPh-N=CPh(C₆H₄)}(μ-CO)(CO)₄], (1), with ^tBuNC leads to the carbonyl substitution product [Ru₂{μ-PhC=CPh-CPh=CPh-N=CPh(C₆H₄)}(μ-CO)(CO)₃(^tBuNC)] or [Ru₂(C₅H₉N)(C₄₁H₂₉N)(CO)₄], (2). The X-ray molecular structure of (2) is similar to its parent compound (1) and shows that the isonitrile ligand is in a cis arrangement with respect to both the iminic N atom and the C atom of the orthometalated phenyl ring.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801005207/ci6017sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536801005207/ci6017Isup2.hkl Contains datablock I

CCDC reference: 165622

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.012 Å
R factor = 0.048
wR factor = 0.142
Data-to-parameter ratio = 13.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



PLAT_601  Alert B Structure Contains Solvent Accessible VOIDS of     130.00 A   3


 Alert Level C:



PLAT_320  Alert C Check Hybridisation of  C(2)   in main residue          ?


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 1 Alert Level C = Please check

Comment top

This work is part of a project dealing with insertion reactions of unsaturated organic ligands into the C—Ru bonds of polynuclear ruthenium–carbonyl complexes (Cabeza et al., 1998).

The reaction of (I) with tert-butylisonitrile does not lead to insertion of the isonitrile into any of the C—Ru bonds of (1) but to the carbonyl substitution product (2). The crystal structure of (2) was determined by X-ray diffraction in order to determine the position of the isonitrile ligand in the complex.

The molecular structure of (2) (Fig. 1) is similar to that of its parent compound (1) (Cabeza et al., 1998). The tert-butylisonitrile ligand is terminally bound to Ru2 through its C5 atom [Ru2—C5 = 2.015 (9) Å and Ru2—C5—N1 = 174.8 (9)°], being cis to both the N atom of the imine ligand [C5—Ru2—N2 = 94.5 (3)°] and the C atom of orthometalated phenyl ring [C5—Ru2—C12 = 80.4 (3)°].

Experimental top

Synthesis of (2): a solution of (1) (100 mg, 0.114 mmol) and ^tBuNC (26 µl, 0.228 mmol) in dry and deoxygenated tetrahydrofuran (THF; 20 ml) was stirred under nitrogen at reflux temperature for 30 min. The solution was evaporated to dryness under reduced pressure and the residue was separated by column chromatography on neutral alumina (activity IV). Hexane eluted the isonitrile in excess. Dichloromethane eluted an orange band which afforded compound (2) upon removal of the solvent. The orange solid was recrystallized at 253 K by liquid diffusion of pentane into a concentrated solution of the complex in toluene. Yield: 82 mg (77%). Analysis (%), found: C 64.52, H 4.33, N 2.89%; calculated for C₅₀H₃₈N₂O₄Ru₂: C 64.37, H 4.11, N 3.00%. IR (THF, cm^-1): ν(CN) 2166 (m); ν(CO) 2008 (versus), 1974 (s), 1943 (m), 1840 (m, br). ¹H NMR (CDCl₃, 300 MHz, p.p.m.): δ 7.7–6.5 (m, 27H), 5.86 (d, 7.4 Hz, 1H), 5.09 (d, 7.4 Hz, 1H), 1.56 (s, 9H). Compound (1) was prepared as described previously (Cabeza et al., 1998).

Computing details top

Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1994); cell refinement: CRYSDA (Beurskens et al., 1992); data reduction: REFLEX (García-Granda et al., 1999); program(s) used to solve structure: DIRDIF (Beurskens et al., 1992); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997b); molecular graphics: PLATON (Spek, 1982); software used to prepare material for publication: SHELXL97.

Figures top

Fig. 1. View of a molecule of compound (2). Displacement ellipsoids are shown at the 30% probability level.

(I) top

Crystal data top

[Ru₂(C₅H₉N)(C₄₁H₂₉N)(CO)₄]	F(000) = 1888
M_r = 932.96	D_x = 1.434 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
a = 20.212 (10) Å	Cell parameters from 25 reflections
b = 11.111 (8) Å	θ = 10–15°
c = 19.362 (14) Å	µ = 0.75 mm⁻¹
β = 96.53 (13)°	T = 293 K
V = 4320 (5) Å³	Prismatic, red
Z = 4	0.23 × 0.20 × 0.16 mm

Data collection top

Nonius CAD-4 diffractometer	3795 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.072
Graphite monochromator	θ_max = 25.0°, θ_min = 1.0°
ω–2θ scans	h = −23→23
Absorption correction: empirical (using intensity measurements) (SHELXA; Sheldrick, 1997a)	k = 0→13
T_min = 0.840, T_max = 0.880	l = 0→22
7792 measured reflections	3 standard reflections every 200 reflections
7562 independent reflections	intensity decay: 7.3%

Refinement top

Refinement on F²	Primary atom site location: heavy-atom method
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.048	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.142	H-atom parameters constrained
S = 1.02	w = 1/[σ²(F_o²) + (0.0676P)²] where P = (F_o² + 2F_c²)/3
7562 reflections	(Δ/σ)_max < 0.001
570 parameters	Δρ_max = 0.71 e Å⁻³
0 restraints	Δρ_min = −0.87 e Å⁻³

Crystal data top

[Ru₂(C₅H₉N)(C₄₁H₂₉N)(CO)₄]	V = 4320 (5) Å³
M_r = 932.96	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 20.212 (10) Å	µ = 0.75 mm⁻¹
b = 11.111 (8) Å	T = 293 K
c = 19.362 (14) Å	0.23 × 0.20 × 0.16 mm
β = 96.53 (13)°

Data collection top

Nonius CAD-4 diffractometer	3795 reflections with I > 2σ(I)
Absorption correction: empirical (using intensity measurements) (SHELXA; Sheldrick, 1997a)	R_int = 0.072
T_min = 0.840, T_max = 0.880	3 standard reflections every 200 reflections
7792 measured reflections	intensity decay: 7.3%
7562 independent reflections

Refinement top

R[F² > 2σ(F²)] = 0.048	0 restraints
wR(F²) = 0.142	H-atom parameters constrained
S = 1.02	Δρ_max = 0.71 e Å⁻³
7562 reflections	Δρ_min = −0.87 e Å⁻³
570 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; correlation 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
Ru1	0.22267 (3)	0.05858 (6)	0.27511 (3)	0.03526 (17)
Ru2	0.33368 (3)	−0.01327 (6)	0.35913 (3)	0.03964 (19)
O2	0.3416 (3)	−0.0041 (6)	0.1996 (3)	0.0695 (17)
O3	0.2298 (4)	0.3233 (6)	0.2416 (3)	0.085 (2)
O4	0.1457 (4)	0.0399 (7)	0.1321 (3)	0.096 (2)
O1	0.4211 (3)	0.2048 (7)	0.3801 (4)	0.092 (2)
N2	0.2682 (2)	−0.1537 (5)	0.3591 (3)	0.0353 (14)
N1	0.4525 (4)	−0.1807 (8)	0.3304 (4)	0.075 (2)
C1	0.3879 (4)	0.1230 (8)	0.3714 (4)	0.053 (2)
C2	0.3150 (3)	0.0110 (7)	0.2496 (4)	0.0464 (19)
C3	0.2267 (4)	0.2229 (9)	0.2552 (4)	0.050 (2)
C4	0.1770 (4)	0.0423 (7)	0.1849 (4)	0.053 (2)
C5	0.4107 (4)	−0.1170 (9)	0.3383 (4)	0.059 (2)
C6	0.5042 (6)	−0.2732 (12)	0.3301 (7)	0.104 (4)
C7	0.5658 (7)	−0.2068 (15)	0.3068 (8)	0.174 (7)
H7A	0.5560	−0.1811	0.2594	0.22 (3)*
H7B	0.6033	−0.2604	0.3106	0.22 (3)*
H7C	0.5761	−0.1379	0.3360	0.22 (3)*
C8	0.5211 (8)	−0.3153 (15)	0.4021 (8)	0.186 (8)
H8A	0.4879	−0.3713	0.4137	0.22 (3)*
H8B	0.5226	−0.2479	0.4333	0.22 (3)*
H8C	0.5637	−0.3543	0.4064	0.22 (3)*
C9	0.4812 (6)	−0.3671 (13)	0.2798 (8)	0.167 (8)
H9A	0.5145	−0.4288	0.2802	0.22 (3)*
H9B	0.4735	−0.3325	0.2341	0.22 (3)*
H9C	0.4406	−0.4015	0.2921	0.22 (3)*
C10	0.2699 (4)	−0.2187 (7)	0.4149 (4)	0.0422 (19)
C11	0.3241 (4)	−0.1902 (7)	0.4692 (4)	0.0456 (19)
C12	0.3601 (3)	−0.0866 (8)	0.4570 (4)	0.045 (2)
C13	0.4091 (4)	−0.0501 (9)	0.5100 (4)	0.059 (2)
H13	0.435 (3)	0.015 (7)	0.498 (4)	0.048 (4)*
C14	0.4234 (5)	−0.1188 (11)	0.5698 (5)	0.074 (3)
H14	0.452 (3)	−0.077 (6)	0.609 (4)	0.048 (4)*
C15	0.3891 (5)	−0.2210 (10)	0.5787 (5)	0.082 (3)
H15	0.3996	−0.2663	0.6189	0.048 (4)*
C16	0.3388 (4)	−0.2596 (8)	0.5293 (4)	0.059 (2)
H16	0.3153	−0.3298	0.5359	0.048 (4)*
C17	0.2494 (3)	0.0714 (6)	0.3914 (3)	0.0322 (16)
C24	0.1817 (3)	0.0312 (6)	0.3808 (3)	0.0330 (17)
C31	0.1603 (3)	−0.0632 (6)	0.3312 (3)	0.0296 (15)
C38	0.2100 (3)	−0.1398 (6)	0.3081 (3)	0.0339 (16)
C39	0.2026 (3)	−0.2297 (6)	0.2506 (3)	0.0360 (17)
C45	0.2154 (4)	−0.3036 (7)	0.4293 (4)	0.0411 (18)
C34	−0.0225 (4)	−0.0318 (10)	0.2617 (5)	0.062 (3)
H34	−0.048 (3)	0.034 (6)	0.237 (3)	0.048 (4)*
C32	0.0872 (3)	−0.0860 (6)	0.3142 (3)	0.0348 (17)
C33	0.0453 (3)	−0.0076 (7)	0.2745 (4)	0.048 (2)
H33	0.0626	0.0615	0.2562	0.048 (4)*
C25	0.1287 (3)	0.0935 (6)	0.4145 (3)	0.0331 (17)
C28	0.0310 (4)	0.2045 (9)	0.4801 (5)	0.061 (3)
H28	−0.002 (3)	0.238 (6)	0.507 (3)	0.048 (4)*
C30	0.1091 (3)	0.0460 (7)	0.4754 (4)	0.049 (2)
H30	0.1289	−0.0242	0.4939	0.048 (4)*
C47	0.1358 (5)	−0.3617 (8)	0.5058 (4)	0.061 (2)
H47	0.107 (3)	−0.349 (6)	0.549 (3)	0.048 (4)*
C23	0.2631 (4)	0.1501 (9)	0.5115 (4)	0.062 (3)
H23	0.2537	0.0725	0.5255	0.048 (4)*
C19	0.2786 (4)	0.2882 (8)	0.4244 (5)	0.059 (2)
H19	0.2797	0.3075	0.3778	0.048 (4)*
C44	0.2605 (4)	−0.2966 (9)	0.2398 (4)	0.052 (2)
H44	0.293 (3)	−0.293 (7)	0.262 (4)	0.048 (4)*
C49	0.1476 (5)	−0.4759 (8)	0.4047 (5)	0.062 (3)
H49	0.145 (3)	−0.541 (7)	0.377 (4)	0.048 (4)*
C37	0.0601 (4)	−0.1872 (7)	0.3415 (4)	0.0451 (19)
H37	0.0872	−0.2410	0.3683	0.048 (4)*
C41	0.1418 (4)	−0.3447 (7)	0.1594 (4)	0.051 (2)
H41	0.1018	−0.3602	0.1323	0.048 (4)*
C36	−0.0082 (4)	−0.2080 (9)	0.3284 (4)	0.060 (2)
H36	−0.0267	−0.2756	0.3471	0.048 (4)*
C40	0.1462 (4)	−0.2553 (8)	0.2084 (4)	0.050 (2)
H40	0.115 (3)	−0.215 (7)	0.209 (4)	0.048 (4)*
C29	0.0609 (4)	0.1014 (9)	0.5085 (4)	0.063 (2)
H29	0.0485	0.0699	0.5496	0.048 (4)*
C48	0.1177 (5)	−0.4568 (9)	0.4628 (5)	0.069 (3)
H48	0.080 (3)	−0.498 (7)	0.477 (3)	0.048 (4)*
C22	0.2767 (4)	0.2379 (12)	0.5612 (5)	0.083 (4)
H22	0.2762	0.2194	0.6080	0.048 (4)*
C27	0.0470 (4)	0.2507 (8)	0.4206 (5)	0.053 (2)
H27	0.021 (3)	0.313 (7)	0.401 (3)	0.048 (4)*
C35	−0.0487 (4)	−0.1292 (10)	0.2882 (5)	0.066 (3)
H35	−0.0942	−0.1440	0.2795	0.048 (4)*
C43	0.2573 (5)	−0.3871 (8)	0.1898 (4)	0.059 (2)
H43	0.296 (3)	−0.416 (7)	0.180 (3)	0.048 (4)*
C26	0.0983 (4)	0.1970 (7)	0.3879 (4)	0.0448 (19)
H26	0.107 (3)	0.227 (6)	0.344 (4)	0.048 (4)*
C50	0.1968 (4)	−0.3995 (8)	0.3880 (4)	0.053 (2)
H50	0.214 (3)	−0.410 (7)	0.347 (4)	0.048 (4)*
C46	0.1850 (4)	−0.2856 (8)	0.4892 (4)	0.047 (2)
H46	0.205 (3)	−0.224 (6)	0.525 (4)	0.048 (4)*
C20	0.2927 (5)	0.3758 (9)	0.4737 (6)	0.084 (3)
H20	0.3037	0.4530	0.4602	0.048 (4)*
C21	0.2908 (5)	0.3504 (12)	0.5421 (6)	0.095 (4)
H21	0.2992	0.4104	0.5754	0.048 (4)*
C42	0.1974 (5)	−0.4105 (8)	0.1513 (4)	0.060 (3)
H42	0.204 (3)	−0.469 (6)	0.122 (4)	0.048 (4)*
C18	0.2631 (3)	0.1736 (7)	0.4416 (4)	0.0386 (18)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ru1	0.0393 (3)	0.0346 (4)	0.0321 (3)	0.0005 (3)	0.0050 (2)	0.0011 (3)
Ru2	0.0333 (3)	0.0427 (5)	0.0429 (4)	0.0027 (3)	0.0044 (2)	−0.0032 (3)
O2	0.066 (3)	0.093 (5)	0.055 (3)	0.016 (3)	0.031 (3)	0.010 (3)
O3	0.123 (6)	0.042 (4)	0.087 (5)	0.001 (4)	−0.004 (4)	0.022 (4)
O4	0.145 (7)	0.099 (6)	0.039 (4)	−0.013 (5)	−0.018 (4)	−0.003 (4)
O1	0.059 (4)	0.077 (5)	0.140 (7)	−0.018 (4)	0.014 (4)	−0.015 (5)
N2	0.036 (3)	0.034 (4)	0.036 (3)	0.003 (3)	0.004 (3)	−0.002 (3)
N1	0.057 (4)	0.089 (7)	0.079 (6)	0.026 (4)	0.005 (4)	−0.022 (5)
C1	0.037 (4)	0.048 (6)	0.074 (6)	−0.005 (4)	0.006 (4)	−0.010 (5)
C2	0.046 (4)	0.043 (5)	0.051 (5)	0.001 (4)	0.010 (4)	0.006 (4)
C3	0.042 (4)	0.064 (7)	0.043 (5)	0.002 (4)	0.008 (4)	0.002 (4)
C4	0.081 (6)	0.044 (6)	0.036 (5)	−0.010 (4)	0.009 (4)	−0.005 (4)
C5	0.052 (5)	0.066 (7)	0.061 (6)	0.002 (5)	0.007 (4)	−0.008 (5)
C6	0.088 (8)	0.118 (11)	0.101 (9)	0.063 (8)	−0.010 (7)	−0.027 (8)
C7	0.119 (12)	0.189 (18)	0.224 (19)	0.060 (12)	0.054 (12)	−0.012 (14)
C8	0.189 (16)	0.23 (2)	0.131 (13)	0.114 (15)	−0.016 (12)	0.004 (13)
C9	0.111 (10)	0.157 (14)	0.217 (16)	0.063 (10)	−0.047 (10)	−0.125 (13)
C10	0.057 (5)	0.033 (5)	0.036 (4)	0.012 (4)	0.000 (4)	−0.004 (4)
C11	0.046 (4)	0.045 (5)	0.044 (5)	0.014 (4)	0.000 (4)	0.001 (4)
C12	0.023 (3)	0.065 (6)	0.045 (4)	0.006 (3)	−0.004 (3)	0.001 (4)
C13	0.041 (4)	0.084 (8)	0.052 (5)	−0.003 (4)	0.002 (4)	−0.004 (5)
C14	0.060 (6)	0.100 (9)	0.055 (6)	−0.001 (6)	−0.019 (5)	−0.011 (6)
C15	0.089 (7)	0.094 (9)	0.056 (6)	0.009 (7)	−0.023 (6)	0.010 (6)
C16	0.062 (5)	0.058 (6)	0.052 (5)	0.008 (4)	−0.011 (4)	0.012 (5)
C17	0.034 (3)	0.031 (4)	0.031 (4)	0.003 (3)	0.003 (3)	−0.006 (3)
C24	0.036 (3)	0.032 (5)	0.031 (4)	0.004 (3)	0.002 (3)	0.007 (3)
C31	0.037 (3)	0.026 (4)	0.024 (3)	−0.003 (3)	−0.005 (3)	−0.001 (3)
C38	0.036 (4)	0.032 (4)	0.033 (4)	0.004 (3)	0.000 (3)	−0.002 (3)
C39	0.052 (4)	0.023 (4)	0.034 (4)	0.000 (3)	0.009 (3)	0.001 (3)
C45	0.052 (4)	0.032 (5)	0.036 (4)	0.003 (4)	−0.009 (3)	0.011 (4)
C34	0.040 (4)	0.080 (8)	0.060 (6)	0.012 (5)	−0.022 (4)	−0.016 (5)
C32	0.034 (4)	0.035 (5)	0.033 (4)	0.005 (3)	−0.004 (3)	−0.005 (3)
C33	0.048 (4)	0.046 (5)	0.048 (5)	0.003 (4)	−0.006 (4)	−0.012 (4)
C25	0.029 (3)	0.040 (5)	0.028 (4)	−0.001 (3)	−0.003 (3)	−0.006 (3)
C28	0.042 (5)	0.070 (7)	0.074 (6)	0.010 (5)	0.018 (4)	−0.018 (6)
C30	0.049 (4)	0.048 (5)	0.049 (5)	0.002 (4)	0.008 (4)	0.003 (4)
C47	0.088 (6)	0.047 (6)	0.048 (5)	−0.002 (5)	0.012 (5)	0.016 (5)
C23	0.058 (5)	0.086 (8)	0.044 (5)	−0.019 (5)	0.009 (4)	−0.014 (5)
C19	0.065 (5)	0.048 (6)	0.058 (6)	−0.002 (5)	−0.021 (4)	−0.005 (5)
C44	0.056 (5)	0.060 (6)	0.040 (5)	0.011 (5)	0.006 (4)	−0.003 (4)
C49	0.086 (6)	0.035 (6)	0.062 (6)	0.002 (5)	−0.008 (5)	0.002 (4)
C37	0.055 (5)	0.041 (5)	0.041 (4)	−0.004 (4)	0.011 (4)	−0.001 (4)
C41	0.066 (5)	0.053 (6)	0.031 (4)	−0.010 (4)	−0.003 (4)	−0.011 (4)
C36	0.050 (5)	0.070 (7)	0.060 (6)	−0.025 (5)	0.015 (4)	−0.018 (5)
C40	0.058 (5)	0.046 (6)	0.045 (5)	0.006 (4)	0.003 (4)	−0.006 (4)
C29	0.066 (5)	0.078 (7)	0.048 (5)	−0.002 (5)	0.027 (4)	−0.001 (5)
C48	0.073 (6)	0.068 (8)	0.068 (6)	−0.020 (5)	0.019 (5)	0.017 (6)
C22	0.073 (6)	0.126 (11)	0.051 (6)	−0.019 (7)	0.011 (5)	−0.042 (7)
C27	0.053 (5)	0.034 (5)	0.071 (6)	0.009 (4)	0.004 (5)	−0.004 (5)
C35	0.033 (4)	0.090 (8)	0.073 (6)	−0.018 (5)	−0.001 (4)	−0.027 (6)
C43	0.078 (6)	0.058 (6)	0.042 (5)	0.020 (5)	0.020 (5)	−0.008 (5)
C26	0.045 (4)	0.044 (5)	0.045 (5)	0.001 (4)	0.003 (4)	−0.005 (4)
C50	0.072 (6)	0.038 (5)	0.047 (5)	0.000 (4)	0.004 (4)	0.008 (4)
C46	0.068 (5)	0.041 (5)	0.031 (4)	−0.002 (4)	−0.001 (4)	0.004 (4)
C20	0.093 (7)	0.041 (6)	0.106 (9)	0.009 (5)	−0.043 (7)	−0.022 (6)
C21	0.084 (7)	0.097 (10)	0.097 (9)	0.019 (7)	−0.026 (7)	−0.065 (8)
C42	0.102 (7)	0.045 (6)	0.036 (5)	0.006 (5)	0.012 (5)	−0.014 (4)
C18	0.027 (3)	0.043 (5)	0.044 (5)	0.004 (3)	−0.002 (3)	−0.011 (4)

Geometric parameters (Å, º) top

Ru1—C3	1.870 (10)	C39—C44	1.422 (10)
Ru1—C4	1.890 (8)	C45—C50	1.359 (11)
Ru1—C2	2.054 (7)	C45—C46	1.387 (10)
Ru1—C31	2.215 (7)	C34—C35	1.334 (12)
Ru1—C17	2.260 (6)	C34—C33	1.391 (10)
Ru1—C24	2.313 (7)	C34—H34	0.99 (7)
Ru1—C38	2.317 (7)	C32—C37	1.382 (9)
Ru1—Ru2	2.736 (3)	C32—C33	1.386 (10)
Ru2—C1	1.869 (9)	C33—H33	0.9300
Ru2—C5	2.015 (9)	C25—C26	1.377 (10)
Ru2—N2	2.046 (6)	C25—C30	1.389 (9)
Ru2—C12	2.077 (7)	C28—C27	1.335 (12)
Ru2—C17	2.103 (6)	C28—C29	1.379 (12)
Ru2—C2	2.129 (8)	C28—H28	0.95 (7)
O2—C2	1.171 (8)	C30—C29	1.372 (10)
O3—C3	1.150 (9)	C30—H30	0.9300
O4—C4	1.140 (9)	C47—C48	1.369 (12)
O1—C1	1.130 (9)	C47—C46	1.370 (11)
N2—C10	1.297 (8)	C47—H47	1.09 (6)
N2—C38	1.456 (8)	C23—C22	1.377 (12)
N1—C5	1.125 (10)	C23—C18	1.377 (10)
N1—C6	1.466 (11)	C23—H23	0.9300
C6—C9	1.467 (15)	C19—C18	1.361 (10)
C6—C8	1.473 (17)	C19—C20	1.370 (12)
C6—C7	1.559 (18)	C19—H19	0.9300
C7—H7A	0.9600	C44—C43	1.392 (12)
C7—H7B	0.9600	C44—H44	0.74 (7)
C7—H7C	0.9600	C49—C48	1.353 (13)
C8—H8A	0.9600	C49—C50	1.375 (12)
C8—H8B	0.9600	C49—H49	0.90 (7)
C8—H8C	0.9600	C37—C36	1.395 (10)
C9—H9A	0.9600	C37—H37	0.9300
C9—H9B	0.9600	C41—C42	1.365 (11)
C9—H9C	0.9600	C41—C40	1.369 (11)
C10—C11	1.464 (10)	C41—H41	0.9300
C10—C45	1.501 (10)	C36—C35	1.377 (12)
C11—C12	1.396 (10)	C36—H36	0.9300
C11—C16	1.400 (10)	C40—H40	0.77 (7)
C12—C13	1.402 (10)	C29—H29	0.9300
C13—C14	1.389 (13)	C48—H48	0.96 (7)
C13—H13	0.93 (7)	C22—C21	1.343 (15)
C14—C15	1.352 (14)	C22—H22	0.9300
C14—H14	1.01 (7)	C27—C26	1.407 (10)
C15—C16	1.383 (11)	C27—H27	0.92 (7)
C15—H15	0.9300	C35—H35	0.9300
C16—H16	0.9300	C43—C42	1.372 (12)
C17—C24	1.431 (8)	C43—H43	0.90 (7)
C17—C18	1.500 (9)	C26—H26	0.95 (7)
C24—C31	1.454 (9)	C50—H50	0.91 (7)
C24—C25	1.488 (9)	C46—H46	1.02 (7)
C31—C38	1.426 (9)	C20—C21	1.360 (14)
C31—C32	1.498 (8)	C20—H20	0.9300
C38—C39	1.492 (9)	C21—H21	0.9300
C39—C40	1.353 (10)	C42—H42	0.89 (7)

C3—Ru1—C4	86.1 (3)	Ru2—C17—Ru1	77.6 (2)
C3—Ru1—C2	98.0 (3)	C17—C24—C31	121.9 (6)
C4—Ru1—C2	96.6 (3)	C17—C24—C25	121.0 (6)
C3—Ru1—C31	137.5 (3)	C31—C24—C25	116.8 (5)
C4—Ru1—C31	98.6 (3)	C17—C24—Ru1	69.8 (4)
C2—Ru1—C31	123.0 (3)	C31—C24—Ru1	67.7 (3)
C3—Ru1—C17	97.6 (3)	C25—C24—Ru1	132.5 (5)
C4—Ru1—C17	164.5 (3)	C38—C31—C24	118.1 (5)
C2—Ru1—C17	97.8 (3)	C38—C31—C32	122.8 (6)
C31—Ru1—C17	68.6 (2)	C24—C31—C32	118.6 (6)
C3—Ru1—C24	109.8 (3)	C38—C31—Ru1	75.6 (4)
C4—Ru1—C24	128.3 (3)	C24—C31—Ru1	74.9 (4)
C2—Ru1—C24	127.3 (3)	C32—C31—Ru1	126.7 (4)
C31—Ru1—C24	37.4 (2)	C31—C38—N2	113.2 (5)
C17—Ru1—C24	36.5 (2)	C31—C38—C39	128.3 (6)
C3—Ru1—C38	174.0 (3)	N2—C38—C39	116.1 (6)
C4—Ru1—C38	96.1 (3)	C31—C38—Ru1	67.8 (4)
C2—Ru1—C38	87.4 (3)	N2—C38—Ru1	100.5 (4)
C31—Ru1—C38	36.6 (2)	C39—C38—Ru1	115.8 (4)
C17—Ru1—C38	78.9 (2)	C40—C39—C44	116.9 (7)
C24—Ru1—C38	64.5 (2)	C40—C39—C38	126.6 (6)
C3—Ru1—Ru2	110.8 (2)	C44—C39—C38	116.4 (6)
C4—Ru1—Ru2	143.4 (3)	C50—C45—C46	119.1 (8)
C2—Ru1—Ru2	50.3 (2)	C50—C45—C10	122.8 (7)
C31—Ru1—Ru2	90.23 (16)	C46—C45—C10	118.0 (7)
C17—Ru1—Ru2	48.64 (17)	C35—C34—C33	121.0 (8)
C24—Ru1—Ru2	77.72 (17)	C35—C34—H34	125 (4)
C38—Ru1—Ru2	70.58 (15)	C33—C34—H34	113 (4)
C1—Ru2—C5	91.9 (3)	C37—C32—C33	118.6 (6)
C1—Ru2—N2	171.1 (3)	C37—C32—C31	118.6 (6)
C5—Ru2—N2	94.5 (3)	C33—C32—C31	122.7 (7)
C1—Ru2—C12	96.6 (4)	C32—C33—C34	120.4 (8)
C5—Ru2—C12	80.4 (3)	C32—C33—H33	119.8
N2—Ru2—C12	78.5 (3)	C34—C33—H33	119.8
C1—Ru2—C17	94.7 (3)	C26—C25—C30	118.5 (7)
C5—Ru2—C17	170.6 (3)	C26—C25—C24	122.5 (6)
N2—Ru2—C17	78.2 (2)	C30—C25—C24	119.0 (6)
C12—Ru2—C17	92.1 (3)	C27—C28—C29	121.6 (8)
C1—Ru2—C2	93.4 (3)	C27—C28—H28	124 (4)
C5—Ru2—C2	85.8 (3)	C29—C28—H28	114 (4)
N2—Ru2—C2	93.2 (3)	C29—C30—C25	120.8 (8)
C12—Ru2—C2	163.2 (3)	C29—C30—H30	119.6
C17—Ru2—C2	100.5 (3)	C25—C30—H30	119.6
C1—Ru2—Ru1	105.6 (3)	C48—C47—C46	119.0 (8)
C5—Ru2—Ru1	130.4 (2)	C48—C47—H47	116 (4)
N2—Ru2—Ru1	74.68 (16)	C46—C47—H47	125 (4)
C12—Ru2—Ru1	139.96 (19)	C22—C23—C18	122.0 (10)
C17—Ru2—Ru1	53.77 (17)	C22—C23—H23	119.0
C2—Ru2—Ru1	48.0 (2)	C18—C23—H23	119.0
C10—N2—C38	124.6 (6)	C18—C19—C20	122.0 (9)
C10—N2—Ru2	117.9 (5)	C18—C19—H19	119.0
C38—N2—Ru2	113.1 (4)	C20—C19—H19	119.0
C5—N1—C6	170.9 (11)	C43—C44—C39	120.3 (8)
O1—C1—Ru2	178.6 (8)	C43—C44—H44	114 (7)
O2—C2—Ru1	138.6 (6)	C39—C44—H44	125 (7)
O2—C2—Ru2	139.5 (6)	C48—C49—C50	120.3 (9)
Ru1—C2—Ru2	81.7 (3)	C48—C49—H49	129 (5)
O3—C3—Ru1	178.4 (7)	C50—C49—H49	110 (5)
O4—C4—Ru1	174.0 (8)	C32—C37—C36	119.6 (8)
N1—C5—Ru2	174.8 (9)	C32—C37—H37	120.2
N1—C6—C9	109.2 (9)	C36—C37—H37	120.2
N1—C6—C8	108.0 (10)	C42—C41—C40	118.7 (8)
C9—C6—C8	115.1 (14)	C42—C41—H41	120.7
N1—C6—C7	105.2 (11)	C40—C41—H41	120.7
C9—C6—C7	110.3 (12)	C35—C36—C37	120.6 (8)
C8—C6—C7	108.5 (12)	C35—C36—H36	119.7
C6—C7—H7A	109.5	C37—C36—H36	119.7
C6—C7—H7B	109.5	C39—C40—C41	123.6 (8)
H7A—C7—H7B	109.5	C39—C40—H40	120 (6)
C6—C7—H7C	109.5	C41—C40—H40	116 (6)
H7A—C7—H7C	109.5	C30—C29—C28	119.3 (8)
H7B—C7—H7C	109.5	C30—C29—H29	120.3
C6—C8—H8A	109.5	C28—C29—H29	120.3
C6—C8—H8B	109.5	C49—C48—C47	120.8 (9)
H8A—C8—H8B	109.5	C49—C48—H48	128 (4)
C6—C8—H8C	109.5	C47—C48—H48	111 (4)
H8A—C8—H8C	109.5	C21—C22—C23	119.9 (10)
H8B—C8—H8C	109.5	C21—C22—H22	120.1
C6—C9—H9A	109.5	C23—C22—H22	120.1
C6—C9—H9B	109.5	C28—C27—C26	119.3 (8)
H9A—C9—H9B	109.5	C28—C27—H27	118 (4)
C6—C9—H9C	109.5	C26—C27—H27	123 (4)
H9A—C9—H9C	109.5	C34—C35—C36	119.8 (7)
H9B—C9—H9C	109.5	C34—C35—H35	120.1
N2—C10—C11	115.1 (7)	C36—C35—H35	120.1
N2—C10—C45	123.6 (6)	C42—C43—C44	118.9 (8)
C11—C10—C45	120.6 (6)	C42—C43—H43	124 (5)
C12—C11—C16	121.9 (7)	C44—C43—H43	116 (5)
C12—C11—C10	114.8 (7)	C25—C26—C27	120.4 (8)
C16—C11—C10	123.2 (8)	C25—C26—H26	121 (4)
C11—C12—C13	117.0 (7)	C27—C26—H26	118 (4)
C11—C12—Ru2	113.1 (5)	C45—C50—C49	120.2 (8)
C13—C12—Ru2	129.9 (7)	C45—C50—H50	120 (5)
C14—C13—C12	120.8 (9)	C49—C50—H50	119 (5)
C14—C13—H13	124 (5)	C47—C46—C45	120.6 (8)
C12—C13—H13	114 (5)	C47—C46—H46	120 (4)
C15—C14—C13	120.5 (9)	C45—C46—H46	119 (4)
C15—C14—H14	124 (4)	C21—C20—C19	120.2 (11)
C13—C14—H14	114 (4)	C21—C20—H20	119.9
C14—C15—C16	121.2 (9)	C19—C20—H20	119.9
C14—C15—H15	119.4	C22—C21—C20	119.5 (10)
C16—C15—H15	119.4	C22—C21—H21	120.2
C15—C16—C11	118.4 (9)	C20—C21—H21	120.2
C15—C16—H16	120.8	C41—C42—C43	121.5 (8)
C11—C16—H16	120.8	C41—C42—H42	131 (5)
C24—C17—C18	115.7 (5)	C43—C42—H42	107 (5)
C24—C17—Ru2	127.6 (5)	C19—C18—C23	116.3 (8)
C18—C17—Ru2	115.8 (4)	C19—C18—C17	125.4 (7)
C24—C17—Ru1	73.8 (4)	C23—C18—C17	118.2 (7)
C18—C17—Ru1	134.4 (5)

C3—Ru1—Ru2—C1	−2.8 (4)	C3—Ru1—C24—C17	−75.5 (4)
C4—Ru1—Ru2—C1	110.1 (5)	C4—Ru1—C24—C17	−176.5 (4)
C2—Ru1—Ru2—C1	80.3 (4)	C2—Ru1—C24—C17	42.0 (5)
C31—Ru1—Ru2—C1	−145.0 (3)	C31—Ru1—C24—C17	139.4 (6)
C17—Ru1—Ru2—C1	−84.4 (3)	C38—Ru1—C24—C17	106.6 (4)
C24—Ru1—Ru2—C1	−109.5 (3)	Ru2—Ru1—C24—C17	32.5 (3)
C38—Ru1—Ru2—C1	−176.5 (3)	C3—Ru1—C24—C31	145.1 (4)
C3—Ru1—Ru2—C5	−109.2 (4)	C4—Ru1—C24—C31	44.1 (5)
C4—Ru1—Ru2—C5	3.7 (5)	C2—Ru1—C24—C31	−97.5 (4)
C2—Ru1—Ru2—C5	−26.2 (4)	C17—Ru1—C24—C31	−139.4 (6)
C31—Ru1—Ru2—C5	108.5 (4)	C38—Ru1—C24—C31	−32.8 (3)
C17—Ru1—Ru2—C5	169.2 (4)	Ru2—Ru1—C24—C31	−107.0 (3)
C24—Ru1—Ru2—C5	144.0 (4)	C3—Ru1—C24—C25	38.6 (7)
C38—Ru1—Ru2—C5	77.0 (4)	C4—Ru1—C24—C25	−62.5 (7)
C3—Ru1—Ru2—N2	168.0 (3)	C2—Ru1—C24—C25	156.0 (6)
C4—Ru1—Ru2—N2	−79.1 (4)	C31—Ru1—C24—C25	−106.5 (7)
C2—Ru1—Ru2—N2	−108.9 (3)	C17—Ru1—C24—C25	114.0 (8)
C31—Ru1—Ru2—N2	25.8 (2)	C38—Ru1—C24—C25	−139.3 (7)
C17—Ru1—Ru2—N2	86.4 (3)	Ru2—Ru1—C24—C25	146.5 (6)
C24—Ru1—Ru2—N2	61.3 (2)	C17—C24—C31—C38	18.3 (9)
C38—Ru1—Ru2—N2	−5.7 (2)	C25—C24—C31—C38	−168.2 (6)
C3—Ru1—Ru2—C12	118.4 (4)	Ru1—C24—C31—C38	64.2 (5)
C4—Ru1—Ru2—C12	−128.7 (6)	C17—C24—C31—C32	−169.8 (6)
C2—Ru1—Ru2—C12	−158.5 (5)	C25—C24—C31—C32	3.7 (9)
C31—Ru1—Ru2—C12	−23.9 (4)	Ru1—C24—C31—C32	−123.9 (6)
C17—Ru1—Ru2—C12	36.8 (4)	C17—C24—C31—Ru1	−45.9 (6)
C24—Ru1—Ru2—C12	11.7 (4)	C25—C24—C31—Ru1	127.6 (5)
C38—Ru1—Ru2—C12	−55.3 (4)	C3—Ru1—C31—C38	−177.8 (4)
C3—Ru1—Ru2—C17	81.6 (3)	C4—Ru1—C31—C38	88.6 (4)
C4—Ru1—Ru2—C17	−165.5 (5)	C2—Ru1—C31—C38	−15.0 (5)
C2—Ru1—Ru2—C17	164.6 (4)	C17—Ru1—C31—C38	−100.4 (4)
C31—Ru1—Ru2—C17	−60.7 (3)	C24—Ru1—C31—C38	−124.9 (5)
C24—Ru1—Ru2—C17	−25.2 (3)	Ru2—Ru1—C31—C38	−55.7 (3)
C38—Ru1—Ru2—C17	−92.1 (3)	C3—Ru1—C31—C24	−52.9 (5)
C3—Ru1—Ru2—C2	−83.0 (4)	C4—Ru1—C31—C24	−146.5 (4)
C4—Ru1—Ru2—C2	29.9 (5)	C2—Ru1—C31—C24	109.9 (4)
C31—Ru1—Ru2—C2	134.7 (3)	C17—Ru1—C31—C24	24.5 (3)
C17—Ru1—Ru2—C2	−164.6 (4)	C38—Ru1—C31—C24	124.9 (5)
C24—Ru1—Ru2—C2	170.2 (3)	Ru2—Ru1—C31—C24	69.2 (3)
C38—Ru1—Ru2—C2	103.2 (3)	C3—Ru1—C31—C32	61.8 (7)
C5—Ru2—N2—C10	81.1 (5)	C4—Ru1—C31—C32	−31.8 (6)
C12—Ru2—N2—C10	1.8 (5)	C2—Ru1—C31—C32	−135.4 (6)
C17—Ru2—N2—C10	−92.9 (5)	C17—Ru1—C31—C32	139.2 (6)
C2—Ru2—N2—C10	167.1 (5)	C24—Ru1—C31—C32	114.7 (7)
Ru1—Ru2—N2—C10	−148.2 (5)	C38—Ru1—C31—C32	−120.4 (7)
C5—Ru2—N2—C38	−121.4 (5)	Ru2—Ru1—C31—C32	−176.1 (5)
C12—Ru2—N2—C38	159.3 (5)	C24—C31—C38—N2	28.4 (8)
C17—Ru2—N2—C38	64.7 (4)	C32—C31—C38—N2	−143.2 (6)
C2—Ru2—N2—C38	−35.4 (5)	Ru1—C31—C38—N2	92.2 (5)
Ru1—Ru2—N2—C38	9.3 (4)	C24—C31—C38—C39	−170.0 (6)
C3—Ru1—C2—O2	−75.0 (11)	C32—C31—C38—C39	18.5 (11)
C4—Ru1—C2—O2	11.9 (11)	Ru1—C31—C38—C39	−106.1 (7)
C31—Ru1—C2—O2	116.6 (10)	C24—C31—C38—Ru1	−63.9 (5)
C17—Ru1—C2—O2	−173.9 (10)	C32—C31—C38—Ru1	124.6 (6)
C24—Ru1—C2—O2	162.5 (9)	C10—N2—C38—C31	74.8 (9)
C38—Ru1—C2—O2	107.8 (10)	Ru2—N2—C38—C31	−81.0 (6)
Ru2—Ru1—C2—O2	174.5 (12)	C10—N2—C38—C39	−89.3 (8)
C3—Ru1—C2—Ru2	110.5 (3)	Ru2—N2—C38—C39	114.9 (5)
C4—Ru1—C2—Ru2	−162.6 (3)	C10—N2—C38—Ru1	145.0 (6)
C31—Ru1—C2—Ru2	−57.9 (3)	Ru2—N2—C38—Ru1	−10.8 (4)
C17—Ru1—C2—Ru2	11.6 (3)	C4—Ru1—C38—C31	−96.2 (4)
C24—Ru1—C2—Ru2	−12.1 (4)	C2—Ru1—C38—C31	167.4 (4)
C38—Ru1—C2—Ru2	−66.8 (2)	C17—Ru1—C38—C31	69.0 (4)
C1—Ru2—C2—O2	77.6 (10)	C24—Ru1—C38—C31	33.5 (3)
C5—Ru2—C2—O2	−14.2 (10)	Ru2—Ru1—C38—C31	118.8 (4)
N2—Ru2—C2—O2	−108.4 (10)	C4—Ru1—C38—N2	152.8 (4)
C12—Ru2—C2—O2	−48.9 (16)	C2—Ru1—C38—N2	56.5 (4)
C17—Ru2—C2—O2	173.0 (10)	C31—Ru1—C38—N2	−111.0 (5)
Ru1—Ru2—C2—O2	−174.5 (12)	C17—Ru1—C38—N2	−42.0 (4)
C1—Ru2—C2—Ru1	−108.0 (3)	C24—Ru1—C38—N2	−77.4 (4)
C5—Ru2—C2—Ru1	160.3 (3)	Ru2—Ru1—C38—N2	7.9 (3)
N2—Ru2—C2—Ru1	66.0 (2)	C4—Ru1—C38—C39	26.9 (5)
C12—Ru2—C2—Ru1	125.5 (8)	C2—Ru1—C38—C39	−69.5 (5)
C17—Ru2—C2—Ru1	−12.6 (3)	C31—Ru1—C38—C39	123.1 (6)
C38—N2—C10—C11	−160.9 (6)	C17—Ru1—C38—C39	−167.9 (5)
Ru2—N2—C10—C11	−6.1 (8)	C24—Ru1—C38—C39	156.6 (5)
C38—N2—C10—C45	9.7 (11)	Ru2—Ru1—C38—C39	−118.1 (5)
Ru2—N2—C10—C45	164.5 (5)	C31—C38—C39—C40	0.4 (12)
N2—C10—C11—C12	8.7 (9)	N2—C38—C39—C40	161.6 (7)
C45—C10—C11—C12	−162.2 (7)	Ru1—C38—C39—C40	−80.8 (8)
N2—C10—C11—C16	−172.1 (7)	C31—C38—C39—C44	−178.5 (7)
C45—C10—C11—C16	17.0 (11)	N2—C38—C39—C44	−17.3 (9)
C16—C11—C12—C13	−4.1 (11)	Ru1—C38—C39—C44	100.3 (7)
C10—C11—C12—C13	175.1 (6)	N2—C10—C45—C50	61.5 (10)
C16—C11—C12—Ru2	173.8 (6)	C11—C10—C45—C50	−128.4 (8)
C10—C11—C12—Ru2	−7.0 (8)	N2—C10—C45—C46	−121.5 (8)
C1—Ru2—C12—C11	175.6 (5)	C11—C10—C45—C46	48.6 (9)
C5—Ru2—C12—C11	−93.6 (6)	C38—C31—C32—C37	66.0 (9)
N2—Ru2—C12—C11	3.1 (5)	C24—C31—C32—C37	−105.5 (7)
C17—Ru2—C12—C11	80.6 (5)	Ru1—C31—C32—C37	162.3 (5)
C2—Ru2—C12—C11	−58.3 (11)	C38—C31—C32—C33	−116.6 (8)
Ru1—Ru2—C12—C11	51.6 (7)	C24—C31—C32—C33	72.0 (9)
C1—Ru2—C12—C13	−6.9 (8)	Ru1—C31—C32—C33	−20.2 (9)
C5—Ru2—C12—C13	84.0 (7)	C37—C32—C33—C34	−0.9 (10)
N2—Ru2—C12—C13	−179.4 (7)	C31—C32—C33—C34	−178.4 (7)
C17—Ru2—C12—C13	−101.9 (7)	C35—C34—C33—C32	1.1 (12)
C2—Ru2—C12—C13	119.2 (11)	C17—C24—C25—C26	81.6 (8)
Ru1—Ru2—C12—C13	−130.8 (6)	C31—C24—C25—C26	−92.0 (8)
C11—C12—C13—C14	3.7 (12)	Ru1—C24—C25—C26	−8.6 (10)
Ru2—C12—C13—C14	−173.7 (7)	C17—C24—C25—C30	−98.2 (8)
C12—C13—C14—C15	−1.5 (14)	C31—C24—C25—C30	88.2 (8)
C13—C14—C15—C16	−0.6 (16)	Ru1—C24—C25—C30	171.6 (5)
C14—C15—C16—C11	0.2 (14)	C26—C25—C30—C29	−0.5 (11)
C12—C11—C16—C15	2.2 (12)	C24—C25—C30—C29	179.3 (7)
C10—C11—C16—C15	−176.9 (8)	C40—C39—C44—C43	−2.6 (12)
C1—Ru2—C17—C24	163.8 (6)	C38—C39—C44—C43	176.4 (7)
N2—Ru2—C17—C24	−21.6 (6)	C33—C32—C37—C36	0.1 (10)
C12—Ru2—C17—C24	−99.4 (6)	C31—C32—C37—C36	177.7 (6)
C2—Ru2—C17—C24	69.5 (6)	C32—C37—C36—C35	0.6 (12)
Ru1—Ru2—C17—C24	57.9 (5)	C44—C39—C40—C41	3.4 (12)
C1—Ru2—C17—C18	−27.7 (6)	C38—C39—C40—C41	−175.5 (7)
N2—Ru2—C17—C18	146.9 (5)	C42—C41—C40—C39	−1.4 (13)
C12—Ru2—C17—C18	69.1 (5)	C25—C30—C29—C28	1.0 (12)
C2—Ru2—C17—C18	−122.0 (5)	C27—C28—C29—C30	1.1 (14)
Ru1—Ru2—C17—C18	−133.5 (6)	C50—C49—C48—C47	−0.1 (14)
C1—Ru2—C17—Ru1	105.9 (3)	C46—C47—C48—C49	0.0 (14)
N2—Ru2—C17—Ru1	−79.5 (2)	C18—C23—C22—C21	−0.3 (14)
C12—Ru2—C17—Ru1	−157.3 (3)	C29—C28—C27—C26	−3.6 (14)
C2—Ru2—C17—Ru1	11.5 (3)	C33—C34—C35—C36	−0.4 (13)
C3—Ru1—C17—C24	113.2 (4)	C37—C36—C35—C34	−0.4 (13)
C4—Ru1—C17—C24	10.4 (13)	C39—C44—C43—C42	0.0 (13)
C2—Ru1—C17—C24	−147.5 (4)	C30—C25—C26—C27	−2.1 (11)
C31—Ru1—C17—C24	−25.1 (4)	C24—C25—C26—C27	178.1 (7)
C38—Ru1—C17—C24	−61.8 (4)	C28—C27—C26—C25	4.1 (12)
Ru2—Ru1—C17—C24	−135.6 (5)	C46—C45—C50—C49	1.4 (12)
C3—Ru1—C17—C18	3.0 (6)	C10—C45—C50—C49	178.4 (7)
C4—Ru1—C17—C18	−99.9 (12)	C48—C49—C50—C45	−0.6 (13)
C2—Ru1—C17—C18	102.2 (6)	C48—C47—C46—C45	0.8 (13)
C31—Ru1—C17—C18	−135.4 (6)	C50—C45—C46—C47	−1.5 (11)
C24—Ru1—C17—C18	−110.3 (7)	C10—C45—C46—C47	−178.7 (7)
C38—Ru1—C17—C18	−172.1 (6)	C18—C19—C20—C21	−0.7 (14)
Ru2—Ru1—C17—C18	114.1 (6)	C23—C22—C21—C20	−1.2 (16)
C3—Ru1—C17—Ru2	−111.1 (3)	C19—C20—C21—C22	1.8 (16)
C4—Ru1—C17—Ru2	146.0 (11)	C40—C41—C42—C43	−1.5 (13)
C2—Ru1—C17—Ru2	−11.9 (3)	C44—C43—C42—C41	2.1 (14)
C31—Ru1—C17—Ru2	110.5 (3)	C20—C19—C18—C23	−0.8 (12)
C24—Ru1—C17—Ru2	135.6 (5)	C20—C19—C18—C17	−177.8 (7)
C38—Ru1—C17—Ru2	73.9 (2)	C22—C23—C18—C19	1.3 (12)
C18—C17—C24—C31	177.0 (6)	C22—C23—C18—C17	178.5 (7)
Ru2—C17—C24—C31	−14.4 (9)	C24—C17—C18—C19	−109.8 (8)
Ru1—C17—C24—C31	45.1 (6)	Ru2—C17—C18—C19	80.3 (8)
C18—C17—C24—C25	3.7 (9)	Ru1—C17—C18—C19	−17.7 (10)
Ru2—C17—C24—C25	172.3 (5)	C24—C17—C18—C23	73.3 (8)
Ru1—C17—C24—C25	−128.2 (6)	Ru2—C17—C18—C23	−96.7 (7)
C18—C17—C24—Ru1	131.9 (6)	Ru1—C17—C18—C23	165.4 (5)
Ru2—C17—C24—Ru1	−59.5 (4)

Experimental details

Crystal data
Chemical formula	[Ru₂(C₅H₉N)(C₄₁H₂₉N)(CO)₄]
M_r	932.96
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	293
a, b, c (Å)	20.212 (10), 11.111 (8), 19.362 (14)
β (°)	96.53 (13)
V (Å³)	4320 (5)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	0.75
Crystal size (mm)	0.23 × 0.20 × 0.16

Data collection
Diffractometer	Nonius CAD-4 diffractometer
Absorption correction	Empirical (using intensity measurements) (SHELXA; Sheldrick, 1997a)
T_min, T_max	0.840, 0.880
No. of measured, independent and observed [I > 2σ(I)] reflections	7792, 7562, 3795
R_int	0.072
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.048, 0.142, 1.02
No. of reflections	7562
No. of parameters	570
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.71, −0.87

Computer programs: CAD-4 EXPRESS (Enraf-Nonius, 1994), CRYSDA (Beurskens et al., 1992), REFLEX (García-Granda et al., 1999), DIRDIF (Beurskens et al., 1992), SHELXL97 (Sheldrick, 1997b), PLATON (Spek, 1982), SHELXL97.

Selected bond lengths (Å) top

Ru1—C3	1.870 (10)	Ru2—C2	2.129 (8)
Ru1—C4	1.890 (8)	O2—C2	1.171 (8)
Ru1—C2	2.054 (7)	O3—C3	1.150 (9)
Ru1—C31	2.215 (7)	O4—C4	1.140 (9)
Ru1—C17	2.260 (6)	O1—C1	1.130 (9)
Ru1—C24	2.313 (7)	N2—C10	1.297 (8)
Ru1—C38	2.317 (7)	N2—C38	1.456 (8)
Ru1—Ru2	2.736 (3)	N1—C5	1.125 (10)
Ru2—C1	1.869 (9)	N1—C6	1.466 (11)
Ru2—N2	2.046 (6)	C17—C24	1.431 (8)
Ru2—C12	2.077 (7)	C24—C31	1.454 (9)
Ru2—C17	2.103 (6)	C31—C38	1.426 (9)

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