Dicarbonyl-1κ²C-μ-chlorido-2:3κ²Cl:Cl-penta­chlorido-2κ²Cl,3κ³Cl-[1(η⁶)-toluene]digallium(III)ruthenium(I)(Ru—Ga)

The title compound, [RuGa₂Cl₆(C₇H₈)(CO)₂] or [(CO)₂(GaCl₂)(η⁶-toluene)Ru]⁺[GaCl₄]⁻, was isolated from the reaction of Ga₂Cl₄ with di­phenyl­silanediol in toluene, followed by the addition of Ru₃(CO)₁₂. The compound contains a ruthenium–gallium metal–metal bond with a length of 2.4575 (2) Å.

Computing details

Dicarbonyl-1κ²C-µ-chlorido-2:3κ²Cl:Cl-pentachlorido-2κ²Cl,3κ³Cl-[1(η⁶)-toluene]digallium(III)ruthenium(I)(Ru—Ga)

Crystal data

[RuGa2Cl6(C7H8)(CO)2]	F(000) = 1144
Mr = 601.36	Dx = 2.253 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 13.1598 (6) Å	Cell parameters from 9595 reflections
b = 9.7142 (4) Å	θ = 2.7–28.3°
c = 15.3369 (7) Å	µ = 4.76 mm^−1
β = 115.257 (1)°	T = 248 K
V = 1773.19 (14) Å^3	Block, clear colourless
Z = 4	0.36 × 0.34 × 0.31 mm

Data collection

Bruker D8 Quest Eco, Photon II 7 diffractometer	4133 reflections with I > 2σ(I)
Detector resolution: 7.3910 pixels mm^-1	Rint = 0.031
phi and ω scans	θmax = 28.3°, θmin = 2.7°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −17→17
Tmin = 0.21, Tmax = 0.32	k = −12→12
66270 measured reflections	l = −20→20
4424 independent reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.016	H-atom parameters constrained
wR(F^2) = 0.041	w = 1/[σ^2(Fo^2) + (0.0179P)^2 + 1.0566P] where P = (Fo^2 + 2Fc^2)/3
S = 1.09	(Δ/σ)max = 0.002
4424 reflections	Δρmax = 0.65 e Å^−3
182 parameters	Δρmin = −0.43 e Å^−3

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ru1	0.24301 (2)	0.66776 (2)	0.55005 (2)	0.02484 (4)
Ga1	0.37587 (2)	0.52947 (2)	0.68455 (2)	0.02795 (5)
Ga2	0.21861 (2)	0.26035 (2)	0.77462 (2)	0.03228 (5)
Cl1	0.53434 (4)	0.47105 (6)	0.68030 (4)	0.04053 (11)
Cl2	0.41255 (5)	0.58077 (6)	0.83247 (3)	0.04424 (12)
Cl3	0.31993 (4)	0.28855 (5)	0.68851 (4)	0.03697 (10)
Cl4	0.09559 (5)	0.42180 (6)	0.73078 (5)	0.05227 (13)
Cl5	0.13673 (5)	0.06499 (6)	0.72620 (5)	0.05478 (14)
Cl6	0.32572 (4)	0.25357 (7)	0.92593 (4)	0.05277 (15)
O1	0.12790 (15)	0.73771 (17)	0.67684 (13)	0.0519 (4)
O2	0.10336 (14)	0.40984 (18)	0.48352 (13)	0.0573 (4)
C1	0.17226 (16)	0.7071 (2)	0.63130 (14)	0.0338 (4)
C2	0.15713 (16)	0.5047 (2)	0.51002 (14)	0.0367 (4)
C3	0.1370 (2)	1.0026 (3)	0.48306 (18)	0.0502 (5)
H3A	0.151190	1.085031	0.454310	0.075000*
H3B	0.148544	1.022284	0.548647	0.075000*
H3C	0.060080	0.972800	0.445748	0.075000*
C4	0.21607 (15)	0.8907 (2)	0.48377 (13)	0.0324 (4)
C5	0.18667 (17)	0.7958 (2)	0.40924 (13)	0.0389 (4)
H5	0.107892	0.790389	0.359964	0.047000*
C6	0.2656 (2)	0.6935 (3)	0.41157 (15)	0.0478 (5)
H6	0.241232	0.618942	0.362932	0.057000*
C7	0.37233 (19)	0.6881 (2)	0.48817 (17)	0.0458 (5)
H7	0.423488	0.610611	0.493398	0.055000*
C8	0.40090 (17)	0.7834 (2)	0.56321 (16)	0.0432 (5)
H8	0.471964	0.772111	0.622005	0.052000*
C9	0.32405 (16)	0.8811 (2)	0.56150 (14)	0.0371 (4)
H9	0.340902	0.937264	0.619916	0.044000*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ru1	0.02522 (6)	0.02903 (7)	0.02071 (6)	−0.00104 (5)	0.01024 (5)	0.00055 (5)
Ga1	0.02861 (9)	0.03056 (10)	0.02508 (9)	0.00314 (7)	0.01183 (7)	0.00206 (7)
Ga2	0.03015 (10)	0.03326 (11)	0.03336 (10)	−0.00027 (8)	0.01347 (8)	0.00417 (8)
Cl1	0.0333 (2)	0.0472 (3)	0.0458 (3)	0.00639 (19)	0.0213 (2)	0.0039 (2)
Cl2	0.0559 (3)	0.0468 (3)	0.0281 (2)	0.0091 (2)	0.0161 (2)	−0.00377 (19)
Cl3	0.0476 (2)	0.0293 (2)	0.0424 (2)	−0.00163 (19)	0.0273 (2)	0.00116 (18)
Cl4	0.0467 (3)	0.0490 (3)	0.0610 (3)	0.0157 (2)	0.0228 (3)	0.0080 (3)
Cl5	0.0554 (3)	0.0405 (3)	0.0623 (3)	−0.0155 (2)	0.0192 (3)	0.0040 (3)
Cl6	0.0389 (2)	0.0864 (4)	0.0323 (2)	0.0041 (3)	0.0145 (2)	0.0060 (3)
O1	0.0721 (11)	0.0459 (9)	0.0607 (10)	0.0051 (8)	0.0503 (9)	0.0003 (8)
O2	0.0500 (9)	0.0449 (9)	0.0626 (10)	−0.0152 (8)	0.0103 (8)	−0.0092 (8)
C1	0.0408 (9)	0.0295 (9)	0.0349 (9)	0.0002 (7)	0.0198 (8)	0.0036 (7)
C2	0.0334 (9)	0.0387 (10)	0.0334 (9)	−0.0019 (8)	0.0099 (7)	−0.0010 (8)
C3	0.0545 (13)	0.0464 (12)	0.0567 (14)	0.0116 (10)	0.0304 (11)	0.0103 (10)
C4	0.0365 (9)	0.0339 (9)	0.0302 (8)	−0.0027 (7)	0.0175 (7)	0.0051 (7)
C5	0.0422 (10)	0.0474 (11)	0.0233 (8)	−0.0055 (9)	0.0101 (7)	0.0060 (8)
C6	0.0754 (15)	0.0475 (12)	0.0321 (10)	−0.0045 (11)	0.0342 (11)	−0.0027 (9)
C7	0.0519 (12)	0.0497 (12)	0.0532 (12)	0.0122 (10)	0.0392 (11)	0.0147 (10)
C8	0.0308 (9)	0.0520 (12)	0.0473 (11)	−0.0053 (9)	0.0172 (8)	0.0101 (10)
C9	0.0371 (9)	0.0378 (10)	0.0343 (9)	−0.0111 (8)	0.0133 (8)	0.0000 (8)

Geometric parameters (Å, º)

Ru1—C1	1.8856 (19)	Ga2—Cl4	2.1456 (6)
Ru1—C2	1.890 (2)	Ga2—Cl5	2.1521 (6)
Ru1—C6	2.2803 (19)	Ga2—Cl3	2.2583 (5)
Ru1—C7	2.2834 (19)	O1—C1	1.125 (2)
Ru1—C8	2.294 (2)	O2—C2	1.127 (3)
Ru1—C9	2.3027 (19)	C3—C4	1.502 (3)
Ru1—C5	2.3223 (19)	C4—C5	1.389 (3)
Ru1—C4	2.3536 (19)	C4—C9	1.415 (3)
Ru1—Ga1	2.4575 (2)	C5—C6	1.426 (3)
Ga1—Cl2	2.1665 (5)	C6—C7	1.396 (3)
Ga1—Cl1	2.1888 (5)	C7—C8	1.398 (3)
Ga1—Cl3	2.4619 (5)	C8—C9	1.379 (3)
Ga2—Cl6	2.1413 (6)
C1—Ru1—C2	89.37 (9)	Cl2—Ga1—Cl1	107.54 (2)
C1—Ru1—C6	152.94 (9)	Cl2—Ga1—Ru1	120.934 (17)
C2—Ru1—C6	94.99 (9)	Cl1—Ga1—Ru1	117.546 (16)
C1—Ru1—C7	157.35 (9)	Cl2—Ga1—Cl3	97.36 (2)
C2—Ru1—C7	112.70 (9)	Cl1—Ga1—Cl3	93.035 (19)
C6—Ru1—C7	35.62 (9)	Ru1—Ga1—Cl3	115.292 (15)
C1—Ru1—C8	121.78 (9)	Cl6—Ga2—Cl4	114.95 (3)
C2—Ru1—C8	146.39 (9)	Cl6—Ga2—Cl5	110.36 (3)
C6—Ru1—C8	63.59 (9)	Cl4—Ga2—Cl5	109.67 (3)
C7—Ru1—C8	35.56 (9)	Cl6—Ga2—Cl3	110.96 (2)
C1—Ru1—C9	96.35 (8)	Cl4—Ga2—Cl3	106.43 (2)
C2—Ru1—C9	166.51 (8)	Cl5—Ga2—Cl3	103.82 (2)
C6—Ru1—C9	74.46 (8)	Ga2—Cl3—Ga1	112.77 (2)
C7—Ru1—C9	63.31 (8)	O1—C1—Ru1	175.86 (18)
C8—Ru1—C9	34.91 (8)	O2—C2—Ru1	177.7 (2)
C1—Ru1—C5	117.03 (8)	C5—C4—C9	118.47 (18)
C2—Ru1—C5	103.73 (8)	C5—C4—C3	121.72 (19)
C6—Ru1—C5	36.09 (8)	C9—C4—C3	119.81 (19)
C7—Ru1—C5	64.28 (8)	C5—C4—Ru1	71.49 (11)
C8—Ru1—C5	74.78 (7)	C9—C4—Ru1	70.35 (11)
C9—Ru1—C5	62.79 (7)	C3—C4—Ru1	130.19 (13)
C1—Ru1—C4	94.20 (7)	C4—C5—C6	119.83 (19)
C2—Ru1—C4	132.21 (8)	C4—C5—Ru1	73.96 (11)
C6—Ru1—C4	63.40 (8)	C6—C5—Ru1	70.35 (11)
C7—Ru1—C4	75.08 (7)	C7—C6—C5	120.5 (2)
C8—Ru1—C4	63.34 (7)	C7—C6—Ru1	72.31 (11)
C9—Ru1—C4	35.37 (7)	C5—C6—Ru1	73.56 (11)
C5—Ru1—C4	34.55 (7)	C6—C7—C8	119.2 (2)
C1—Ru1—Ga1	86.05 (6)	C6—C7—Ru1	72.07 (12)
C2—Ru1—Ga1	85.82 (6)	C8—C7—Ru1	72.63 (11)
C6—Ru1—Ga1	120.86 (7)	C9—C8—C7	120.2 (2)
C7—Ru1—Ga1	90.38 (6)	C9—C8—Ru1	72.89 (11)
C8—Ru1—Ga1	84.29 (6)	C7—C8—Ru1	71.81 (12)
C9—Ru1—Ga1	106.70 (5)	C8—C9—C4	121.73 (19)
C5—Ru1—Ga1	154.66 (5)	C8—C9—Ru1	72.20 (12)
C4—Ru1—Ga1	141.95 (5)	C4—C9—Ru1	74.28 (11)