(o-Benzo­quinone di­imine-N,N')dichlorobis(tri­phenyl­phosphine-P)ruthenium(II) 1.33-methanol 0.33-di­chloro­methane solvate

The Ru atom in the title compound, [RuCl₂{P(C₆H₅)₃}₂{C₆H₄(NH)₂}]·1.33CH₃OH·0.33CH₂Cl₂, shows a six-coordinate octahedral geometry, with a trans arrangement of the tri­phenyl­phosphine groups. One and a half mol­ecules of complex, two mol­ecules of methanol and a half mol­ecule of di­chloro­methane form the asymmetric unit, with crystallographic twofold rotation symmetry for the complex mol­ecule in a special position.

Computing details

Data collection: KappaCCD Server Software (Nonius, 1997); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

ο-benzoquinonediimine-dichloro-bis(triphenylphosphine)ruthenium(II)

Crystal data

[RuCl2(C18H15P)2(C6H6N2)]·1.33CH4O·0.33CH2Cl2	F(000) = 5208
Mr = 873.67	Dx = 1.446 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 47.7172 (11) Å	Cell parameters from 39381 reflections
b = 10.3463 (2) Å	θ = 4.1–26.4°
c = 33.7261 (8) Å	µ = 0.69 mm^−1
β = 133.694 (8)°	T = 150 K
V = 12038.9 (5) Å^3	Prism, purple
Z = 12	0.35 × 0.26 × 0.24 mm

Data collection

KappaCCD diffractometer	12170 independent reflections
Radiation source: fine-focus sealed tube	8058 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.067
φ and ω scans with κ offsets	θmax = 26.4°, θmin = 4.1°
Absorption correction: multi-scan (DENZO-SMN; Otwinowski & Minor, 1997)	h = 0→59
Tmin = 0.807, Tmax = 0.862	k = 0→12
39381 measured reflections	l = −42→30

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.041	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.106	H-atom parameters constrained
S = 0.99	w = 1/[σ^2(Fo^2) + (0.0516P)^2] where P = (Fo^2 + 2Fc^2)/3
12170 reflections	(Δ/σ)max = 0.001
701 parameters	Δρmax = 0.84 e Å^−3
0 restraints	Δρmin = −0.50 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Ru1A	0.806441 (8)	0.14175 (2)	0.396487 (12)	0.01660 (8)
Cl1A	0.83308 (3)	0.28208 (8)	0.47384 (4)	0.0269 (2)
Cl2A	0.78152 (3)	0.31154 (8)	0.32901 (4)	0.0263 (2)
P1A	0.74687 (2)	0.14053 (8)	0.37526 (4)	0.0187 (2)
P2A	0.86792 (3)	0.14773 (8)	0.42348 (4)	0.0185 (2)
N1A	0.82237 (8)	−0.0179 (2)	0.43993 (12)	0.0199 (7)
H1AA	0.8358	−0.0147	0.4752	0.024*
N2A	0.78661 (8)	0.0054 (2)	0.34154 (12)	0.0196 (7)
H2AA	0.7748	0.0253	0.3077	0.024*
C1A	0.81215 (10)	−0.1297 (3)	0.41406 (15)	0.0228 (8)
C2A	0.79150 (10)	−0.1162 (3)	0.35685 (15)	0.0219 (8)
C3A	0.77892 (11)	−0.2290 (3)	0.32409 (18)	0.0333 (10)
H3AA	0.7654	−0.2222	0.2864	0.040*
C4A	0.78658 (12)	−0.3464 (3)	0.3477 (2)	0.0411 (12)
H4AA	0.7779	−0.4219	0.3259	0.049*
C5A	0.80727 (11)	−0.3599 (4)	0.40417 (19)	0.0381 (11)
H5AA	0.8123	−0.4441	0.4191	0.046*
C6A	0.81998 (10)	−0.2556 (3)	0.43732 (17)	0.0294 (9)
H6AA	0.8337	−0.2661	0.4749	0.035*
C11A	0.70766 (10)	0.0513 (3)	0.31265 (15)	0.0232 (8)
C12A	0.70055 (11)	0.0775 (4)	0.26583 (16)	0.0309 (9)
H12A	0.7157	0.1408	0.2673	0.037*
C13A	0.67205 (12)	0.0133 (4)	0.21777 (18)	0.0480 (12)
H13A	0.6676	0.0323	0.1862	0.058*
C14A	0.64998 (13)	−0.0779 (5)	0.2148 (2)	0.0566 (14)
H14A	0.6308	−0.1239	0.1815	0.068*
C15A	0.65529 (12)	−0.1038 (4)	0.25979 (19)	0.0472 (12)
H15A	0.6395	−0.1660	0.2573	0.057*
C16A	0.68385 (10)	−0.0384 (4)	0.30865 (17)	0.0364 (10)
H16A	0.6872	−0.0545	0.3395	0.044*
C21A	0.75470 (9)	0.0611 (3)	0.43008 (14)	0.0213 (8)
C22A	0.75663 (10)	−0.0757 (3)	0.43461 (16)	0.0271 (9)
H22A	0.7503	−0.1271	0.4060	0.033*
C23A	0.76757 (10)	−0.1347 (4)	0.48028 (16)	0.0292 (9)
H23A	0.7687	−0.2263	0.4828	0.035*
C24A	0.77681 (10)	−0.0623 (4)	0.52222 (16)	0.0320 (9)
H24A	0.7838	−0.1037	0.5532	0.038*
C25A	0.77579 (10)	0.0717 (4)	0.51900 (16)	0.0318 (9)
H25A	0.7826	0.1224	0.5481	0.038*
C26A	0.76477 (10)	0.1318 (3)	0.47293 (15)	0.0254 (8)
H26A	0.7642	0.2235	0.4711	0.031*
C31A	0.72172 (10)	0.2896 (3)	0.36456 (14)	0.0225 (8)
C32A	0.68496 (11)	0.2817 (4)	0.34522 (15)	0.0314 (9)
H32A	0.6738	0.1996	0.3394	0.038*
C33A	0.66449 (12)	0.3935 (4)	0.33430 (17)	0.0425 (11)
H33A	0.6394	0.3875	0.3213	0.051*
C34A	0.68055 (13)	0.5140 (4)	0.34238 (18)	0.0441 (12)
H34A	0.6662	0.5902	0.3341	0.053*
C35A	0.71725 (13)	0.5229 (4)	0.36247 (17)	0.0405 (11)
H35A	0.7284	0.6052	0.3683	0.049*
C36A	0.73814 (12)	0.4097 (3)	0.37432 (16)	0.0323 (10)
H36A	0.7637	0.4158	0.3892	0.039*
C41A	0.90721 (10)	0.0760 (3)	0.49074 (15)	0.0204 (8)
C42A	0.90831 (10)	−0.0558 (3)	0.49983 (16)	0.0268 (9)
H42A	0.8890	−0.1110	0.4702	0.032*
C43A	0.93738 (11)	−0.1072 (4)	0.55177 (18)	0.0380 (11)
H43A	0.9376	−0.1973	0.5574	0.046*
C44A	0.96620 (11)	−0.0289 (4)	0.59565 (17)	0.0409 (11)
H44A	0.9864	−0.0651	0.6310	0.049*
C45A	0.96522 (12)	0.1021 (4)	0.58730 (17)	0.0361 (10)
H45A	0.9847	0.1569	0.6170	0.043*
C46A	0.93558 (10)	0.1538 (4)	0.53526 (15)	0.0275 (9)
H46A	0.9347	0.2445	0.5301	0.033*
C51A	0.88941 (10)	0.3010 (3)	0.42790 (14)	0.0217 (8)
C52A	0.92033 (11)	0.2991 (4)	0.43215 (16)	0.0330 (10)
H52A	0.9297	0.2190	0.4313	0.040*
C53A	0.93799 (12)	0.4147 (4)	0.43772 (18)	0.0456 (12)
H53A	0.9592	0.4132	0.4405	0.055*
C54A	0.92462 (13)	0.5303 (4)	0.43919 (18)	0.0460 (12)
H54A	0.9366	0.6089	0.4429	0.055*
C55A	0.89423 (12)	0.5327 (4)	0.43531 (17)	0.0390 (11)
H55A	0.8852	0.6130	0.4366	0.047*
C56A	0.87637 (11)	0.4189 (3)	0.42956 (15)	0.0290 (9)
H56A	0.8552	0.4216	0.4267	0.035*
C61A	0.86493 (10)	0.0565 (3)	0.37419 (15)	0.0245 (8)
C62A	0.83690 (11)	0.0964 (4)	0.32007 (17)	0.0379 (10)
H62A	0.8227	0.1733	0.3113	0.046*
C63A	0.82927 (13)	0.0263 (5)	0.27870 (19)	0.0506 (13)
H63A	0.8104	0.0566	0.2420	0.061*
C64A	0.84874 (16)	−0.0866 (5)	0.2901 (2)	0.0554 (14)
H64A	0.8428	−0.1361	0.2614	0.066*
C65A	0.87627 (17)	−0.1264 (4)	0.3424 (2)	0.0607 (15)
H65A	0.8899	−0.2042	0.3503	0.073*
C66A	0.88549 (13)	−0.0553 (4)	0.38588 (19)	0.0436 (11)
H66A	0.9055	−0.0837	0.4227	0.052*
Ru1B	1.0000	0.38941 (3)	0.2500	0.01552 (10)
N1B	0.97292 (8)	0.5383 (2)	0.19882 (12)	0.0188 (6)
H1BA	0.9540	0.5269	0.1632	0.023*
Cl1B	0.96098 (2)	0.23415 (7)	0.17459 (4)	0.0219 (2)
P1B	0.95256 (3)	0.37937 (8)	0.25557 (4)	0.0187 (2)
C1B	0.98452 (9)	0.6553 (3)	0.22046 (14)	0.0180 (8)
C5B	0.98505 (10)	0.8864 (3)	0.22077 (16)	0.0282 (9)
H5B	0.9758	0.9665	0.2017	0.034*
C6B	0.96959 (10)	0.7749 (3)	0.19181 (15)	0.0240 (8)
H6BA	0.9491	0.7766	0.1530	0.029*
C11B	0.96279 (10)	0.4843 (3)	0.30807 (16)	0.0238 (8)
C12B	0.99965 (11)	0.4741 (3)	0.36117 (16)	0.0288 (9)
H12B	1.0188	0.4220	0.3676	0.035*
C13B	1.00832 (13)	0.5390 (4)	0.40417 (18)	0.0408 (11)
H13B	1.0334	0.5312	0.4400	0.049*
C14B	0.98081 (15)	0.6152 (4)	0.3956 (2)	0.0480 (13)
H14B	0.9871	0.6600	0.4254	0.058*
C15B	0.94454 (15)	0.6263 (4)	0.3441 (2)	0.0449 (12)
H15B	0.9257	0.6789	0.3384	0.054*
C16B	0.93496 (12)	0.5608 (3)	0.29976 (18)	0.0336 (10)
H16B	0.9097	0.5684	0.2642	0.040*
C21B	0.90452 (10)	0.4264 (3)	0.19137 (15)	0.0237 (8)
C22B	0.89710 (11)	0.5571 (3)	0.17429 (17)	0.0310 (9)
H22B	0.9163	0.6209	0.1979	0.037*
C23B	0.86160 (12)	0.5925 (4)	0.12287 (19)	0.0424 (11)
H23B	0.8565	0.6806	0.1118	0.051*
C24B	0.83394 (11)	0.4990 (4)	0.08810 (18)	0.0447 (12)
H24B	0.8099	0.5230	0.0530	0.054*
C25B	0.84092 (11)	0.3721 (4)	0.10398 (18)	0.0411 (11)
H25B	0.8217	0.3087	0.0799	0.049*
C26B	0.87616 (10)	0.3354 (4)	0.15537 (16)	0.0305 (9)
H26B	0.8808	0.2469	0.1658	0.037*
C31B	0.94397 (9)	0.2243 (3)	0.27285 (14)	0.0200 (8)
C32B	0.93407 (10)	0.2228 (3)	0.30343 (15)	0.0283 (9)
H32B	0.9330	0.3013	0.3169	0.034*
C33B	0.92590 (11)	0.1062 (3)	0.31400 (17)	0.0341 (10)
H33B	0.9186	0.1051	0.3340	0.041*
C34B	0.92843 (11)	−0.0095 (4)	0.29531 (17)	0.0345 (10)
H34B	0.9231	−0.0893	0.3029	0.041*
C35B	0.93858 (10)	−0.0078 (3)	0.26605 (16)	0.0317 (10)
H35B	0.9402	−0.0866	0.2533	0.038*
C36B	0.94650 (10)	0.1090 (3)	0.25468 (15)	0.0250 (9)
H36B	0.9536	0.1093	0.2345	0.030*
O1S	0.91048 (7)	0.5748 (2)	0.07668 (11)	0.0375 (7)
H1S	0.8953	0.6347	0.0554	0.056*
O2S	0.87164 (8)	−0.1094 (3)	0.56545 (13)	0.0539 (9)
H2S	0.8922	−0.1525	0.5840	0.081*
C1S	0.89201 (12)	0.4535 (3)	0.05246 (17)	0.0398 (11)
H1S1	0.8943	0.4289	0.0268	0.060*
H1S2	0.8645	0.4604	0.0327	0.060*
H1S3	0.9044	0.3877	0.0812	0.060*
C2S	0.87957 (13)	0.0112 (4)	0.5907 (2)	0.0596 (14)
H2S1	0.8851	−0.0007	0.6243	0.089*
H2S2	0.8570	0.0681	0.5655	0.089*
H2S3	0.9021	0.0504	0.5997	0.089*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ru1A	0.01715 (15)	0.01440 (14)	0.01583 (16)	−0.00005 (11)	0.01047 (13)	−0.00039 (11)
Cl1A	0.0270 (5)	0.0263 (5)	0.0214 (5)	−0.0053 (4)	0.0144 (4)	−0.0079 (4)
Cl2A	0.0317 (5)	0.0193 (4)	0.0242 (5)	0.0031 (4)	0.0180 (5)	0.0050 (4)
P1A	0.0167 (5)	0.0206 (5)	0.0157 (5)	0.0006 (4)	0.0100 (4)	−0.0009 (4)
P2A	0.0174 (5)	0.0191 (4)	0.0178 (5)	−0.0013 (4)	0.0117 (4)	−0.0003 (4)
N1A	0.0205 (16)	0.0194 (15)	0.0210 (18)	−0.0009 (12)	0.0148 (15)	0.0000 (12)
N2A	0.0191 (15)	0.0198 (15)	0.0199 (17)	0.0021 (12)	0.0134 (14)	0.0015 (12)
C1A	0.0164 (18)	0.0190 (19)	0.033 (2)	−0.0001 (15)	0.0171 (18)	0.0019 (16)
C2A	0.0185 (18)	0.0217 (19)	0.027 (2)	−0.0024 (15)	0.0163 (18)	−0.0038 (16)
C3A	0.032 (2)	0.026 (2)	0.039 (3)	−0.0056 (17)	0.023 (2)	−0.0135 (18)
C4A	0.039 (2)	0.015 (2)	0.061 (3)	−0.0068 (18)	0.031 (3)	−0.014 (2)
C5A	0.036 (2)	0.018 (2)	0.055 (3)	−0.0003 (18)	0.029 (2)	0.004 (2)
C6A	0.026 (2)	0.022 (2)	0.036 (3)	0.0058 (17)	0.020 (2)	0.0094 (17)
C11A	0.0137 (18)	0.029 (2)	0.019 (2)	0.0030 (15)	0.0083 (17)	−0.0027 (16)
C12A	0.023 (2)	0.041 (2)	0.021 (2)	0.0024 (17)	0.0121 (19)	−0.0013 (18)
C13A	0.030 (2)	0.073 (3)	0.026 (3)	0.001 (2)	0.014 (2)	−0.007 (2)
C14A	0.032 (3)	0.072 (3)	0.035 (3)	−0.008 (2)	0.011 (2)	−0.030 (3)
C15A	0.024 (2)	0.055 (3)	0.041 (3)	−0.013 (2)	0.014 (2)	−0.013 (2)
C16A	0.021 (2)	0.047 (2)	0.032 (3)	−0.0071 (19)	0.014 (2)	−0.008 (2)
C21A	0.0155 (18)	0.029 (2)	0.019 (2)	0.0000 (15)	0.0120 (17)	0.0001 (15)
C22A	0.027 (2)	0.029 (2)	0.026 (2)	−0.0020 (16)	0.0189 (19)	−0.0020 (17)
C23A	0.029 (2)	0.031 (2)	0.033 (2)	0.0027 (17)	0.023 (2)	0.0062 (18)
C24A	0.028 (2)	0.047 (2)	0.026 (2)	0.0122 (19)	0.020 (2)	0.0130 (19)
C25A	0.026 (2)	0.046 (2)	0.019 (2)	0.0070 (18)	0.0142 (19)	−0.0005 (18)
C26A	0.0219 (19)	0.029 (2)	0.019 (2)	0.0045 (16)	0.0119 (17)	0.0034 (16)
C31A	0.022 (2)	0.031 (2)	0.013 (2)	0.0066 (16)	0.0111 (17)	0.0007 (15)
C32A	0.028 (2)	0.043 (2)	0.020 (2)	0.0091 (18)	0.0150 (19)	0.0021 (17)
C33A	0.033 (2)	0.065 (3)	0.025 (2)	0.023 (2)	0.018 (2)	0.006 (2)
C34A	0.056 (3)	0.049 (3)	0.032 (3)	0.031 (2)	0.032 (3)	0.013 (2)
C35A	0.060 (3)	0.030 (2)	0.039 (3)	0.012 (2)	0.037 (3)	0.0078 (19)
C36A	0.037 (2)	0.031 (2)	0.032 (2)	0.0112 (19)	0.025 (2)	0.0024 (18)
C41A	0.0174 (18)	0.0233 (19)	0.026 (2)	0.0007 (15)	0.0172 (18)	0.0022 (15)
C42A	0.0183 (19)	0.026 (2)	0.034 (2)	0.0022 (16)	0.0177 (19)	0.0025 (17)
C43A	0.026 (2)	0.036 (2)	0.044 (3)	0.0039 (19)	0.022 (2)	0.015 (2)
C44A	0.023 (2)	0.063 (3)	0.028 (3)	0.005 (2)	0.014 (2)	0.018 (2)
C45A	0.036 (2)	0.043 (2)	0.024 (2)	−0.0041 (19)	0.019 (2)	0.0021 (19)
C46A	0.027 (2)	0.032 (2)	0.025 (2)	0.0010 (17)	0.0186 (19)	0.0012 (17)
C51A	0.0184 (19)	0.0250 (19)	0.013 (2)	−0.0065 (15)	0.0076 (17)	0.0015 (15)
C52A	0.027 (2)	0.036 (2)	0.032 (3)	−0.0008 (18)	0.019 (2)	0.0069 (18)
C53A	0.034 (2)	0.057 (3)	0.039 (3)	−0.011 (2)	0.023 (2)	0.011 (2)
C54A	0.047 (3)	0.037 (3)	0.040 (3)	−0.018 (2)	0.024 (2)	0.001 (2)
C55A	0.044 (3)	0.029 (2)	0.033 (3)	−0.0095 (19)	0.023 (2)	−0.0017 (18)
C56A	0.033 (2)	0.025 (2)	0.024 (2)	−0.0070 (17)	0.018 (2)	−0.0014 (16)
C61A	0.025 (2)	0.031 (2)	0.022 (2)	−0.0058 (17)	0.0179 (19)	−0.0044 (16)
C62A	0.032 (2)	0.053 (3)	0.031 (3)	0.002 (2)	0.022 (2)	−0.001 (2)
C63A	0.048 (3)	0.081 (4)	0.028 (3)	−0.011 (3)	0.028 (3)	−0.014 (2)
C64A	0.080 (4)	0.066 (3)	0.050 (4)	−0.023 (3)	0.056 (3)	−0.025 (3)
C65A	0.096 (4)	0.047 (3)	0.081 (5)	0.009 (3)	0.077 (4)	−0.008 (3)
C66A	0.053 (3)	0.046 (3)	0.044 (3)	0.012 (2)	0.038 (3)	0.002 (2)
Ru1B	0.0146 (2)	0.0132 (2)	0.0149 (2)	0.000	0.00868 (18)	0.000
N1B	0.0160 (15)	0.0187 (15)	0.0153 (17)	0.0007 (12)	0.0084 (14)	−0.0014 (12)
Cl1B	0.0234 (5)	0.0174 (4)	0.0188 (5)	−0.0021 (3)	0.0122 (4)	−0.0030 (3)
P1B	0.0183 (5)	0.0172 (5)	0.0201 (5)	−0.0008 (4)	0.0131 (4)	−0.0005 (4)
C1B	0.0167 (17)	0.0186 (18)	0.020 (2)	0.0012 (14)	0.0131 (16)	0.0020 (14)
C5B	0.032 (2)	0.0151 (18)	0.041 (2)	0.0002 (16)	0.026 (2)	0.0024 (16)
C6B	0.027 (2)	0.0230 (19)	0.020 (2)	0.0031 (16)	0.0154 (18)	0.0031 (15)
C11B	0.030 (2)	0.0207 (19)	0.033 (2)	−0.0058 (16)	0.027 (2)	−0.0036 (16)
C12B	0.032 (2)	0.032 (2)	0.031 (2)	−0.0055 (17)	0.025 (2)	−0.0021 (17)
C13B	0.048 (3)	0.047 (3)	0.038 (3)	−0.022 (2)	0.034 (2)	−0.017 (2)
C14B	0.078 (4)	0.045 (3)	0.054 (3)	−0.028 (3)	0.058 (3)	−0.026 (2)
C15B	0.072 (3)	0.033 (2)	0.068 (4)	0.001 (2)	0.063 (3)	−0.006 (2)
C16B	0.042 (2)	0.028 (2)	0.043 (3)	−0.0016 (19)	0.034 (2)	−0.0020 (19)
C21B	0.0210 (19)	0.0260 (19)	0.025 (2)	0.0033 (16)	0.0164 (18)	0.0032 (16)
C22B	0.028 (2)	0.031 (2)	0.038 (3)	0.0069 (17)	0.024 (2)	0.0072 (18)
C23B	0.034 (2)	0.046 (3)	0.046 (3)	0.021 (2)	0.027 (2)	0.022 (2)
C24B	0.019 (2)	0.072 (3)	0.031 (3)	0.016 (2)	0.012 (2)	0.010 (2)
C25B	0.023 (2)	0.052 (3)	0.033 (3)	−0.001 (2)	0.014 (2)	−0.006 (2)
C26B	0.022 (2)	0.034 (2)	0.029 (2)	0.0012 (17)	0.0148 (19)	−0.0012 (17)
C31B	0.0093 (17)	0.0227 (19)	0.019 (2)	−0.0010 (14)	0.0064 (16)	0.0016 (15)
C32B	0.025 (2)	0.029 (2)	0.028 (2)	0.0008 (17)	0.017 (2)	0.0028 (17)
C33B	0.036 (2)	0.038 (2)	0.034 (3)	0.0008 (19)	0.027 (2)	0.0109 (19)
C34B	0.028 (2)	0.027 (2)	0.041 (3)	−0.0017 (17)	0.021 (2)	0.0131 (18)
C35B	0.028 (2)	0.025 (2)	0.034 (3)	−0.0015 (17)	0.018 (2)	0.0024 (17)
C36B	0.0201 (19)	0.0216 (19)	0.030 (2)	−0.0020 (15)	0.0162 (18)	0.0008 (16)
O1S	0.0308 (15)	0.0284 (14)	0.0241 (16)	0.0011 (12)	0.0079 (13)	0.0028 (12)
O2S	0.0413 (18)	0.064 (2)	0.042 (2)	0.0079 (16)	0.0231 (17)	−0.0038 (16)
C1S	0.041 (2)	0.030 (2)	0.030 (3)	0.0025 (19)	0.017 (2)	0.0047 (18)
C2S	0.047 (3)	0.051 (3)	0.046 (3)	0.003 (2)	0.019 (3)	0.000 (2)

Geometric parameters (Å, º)

Ru1A—N2A	1.974 (3)	C51A—C56A	1.388 (5)
Ru1A—N1A	1.979 (3)	C52A—C53A	1.399 (5)
Ru1A—P2A	2.3976 (9)	C53A—C54A	1.372 (6)
Ru1A—P1A	2.4042 (9)	C54A—C55A	1.363 (6)
Ru1A—Cl2A	2.4372 (9)	C55A—C56A	1.386 (5)
Ru1A—Cl1A	2.4389 (9)	C61A—C62A	1.385 (5)
P1A—C21A	1.811 (4)	C61A—C66A	1.386 (5)
P1A—C31A	1.830 (3)	C62A—C63A	1.380 (6)
P1A—C11A	1.831 (4)	C63A—C64A	1.372 (6)
P2A—C41A	1.826 (4)	C64A—C65A	1.343 (7)
P2A—C61A	1.829 (4)	C65A—C66A	1.413 (6)
P2A—C51A	1.838 (3)	Ru1B—N1B	1.985 (3)
N1A—C1A	1.322 (4)	Ru1B—N1B^i	1.985 (3)
N2A—C2A	1.318 (4)	Ru1B—P1B^i	2.3996 (9)
C1A—C6A	1.431 (5)	Ru1B—P1B	2.3996 (9)
C1A—C2A	1.445 (5)	Ru1B—Cl1B	2.4440 (9)
C2A—C3A	1.424 (5)	Ru1B—Cl1B^i	2.4440 (9)
C3A—C4A	1.356 (5)	N1B—C1B	1.321 (4)
C4A—C5A	1.422 (6)	P1B—C21B	1.822 (4)
C5A—C6A	1.358 (5)	P1B—C11B	1.832 (4)
C11A—C12A	1.393 (5)	P1B—C31B	1.847 (3)
C11A—C16A	1.399 (5)	C1B—C6B	1.422 (4)
C12A—C13A	1.369 (5)	C1B—C1B^i	1.444 (7)
C13A—C14A	1.365 (6)	C5B—C6B	1.354 (5)
C14A—C15A	1.382 (7)	C5B—C5B^i	1.427 (8)
C15A—C16A	1.389 (5)	C11B—C12B	1.400 (5)
C21A—C26A	1.377 (5)	C11B—C16B	1.398 (5)
C21A—C22A	1.420 (5)	C12B—C13B	1.377 (5)
C22A—C23A	1.381 (5)	C13B—C14B	1.380 (6)
C23A—C24A	1.376 (5)	C14B—C15B	1.368 (6)
C24A—C25A	1.389 (5)	C15B—C16B	1.400 (6)
C25A—C26A	1.396 (5)	C21B—C26B	1.386 (5)
C31A—C36A	1.382 (5)	C21B—C22B	1.416 (5)
C31A—C32A	1.389 (5)	C22B—C23B	1.397 (5)
C32A—C33A	1.389 (5)	C23B—C24B	1.384 (6)
C33A—C34A	1.388 (6)	C24B—C25B	1.369 (5)
C34A—C35A	1.377 (6)	C25B—C26B	1.396 (5)
C35A—C36A	1.405 (5)	C31B—C36B	1.384 (5)
C41A—C46A	1.388 (5)	C31B—C32B	1.400 (5)
C41A—C42A	1.391 (4)	C32B—C33B	1.388 (5)
C42A—C43A	1.385 (5)	C33B—C34B	1.396 (5)
C43A—C44A	1.388 (6)	C34B—C35B	1.367 (5)
C44A—C45A	1.378 (5)	C35B—C36B	1.396 (5)
C45A—C46A	1.392 (5)	O1S—C1S	1.423 (4)
C51A—C52A	1.381 (5)	O2S—C2S	1.407 (5)
N2A—Ru1A—N1A	77.78 (12)	C44A—C45A—C46A	119.8 (4)
N2A—Ru1A—P2A	92.42 (8)	C41A—C46A—C45A	121.5 (3)
N1A—Ru1A—P2A	89.83 (8)	C52A—C51A—C56A	119.0 (3)
N2A—Ru1A—P1A	90.88 (8)	C52A—C51A—P2A	119.5 (3)
N1A—Ru1A—P1A	89.23 (8)	C56A—C51A—P2A	121.4 (3)
P2A—Ru1A—P1A	176.30 (3)	C51A—C52A—C53A	120.2 (4)
N2A—Ru1A—Cl2A	91.74 (8)	C54A—C53A—C52A	119.9 (4)
N1A—Ru1A—Cl2A	169.51 (9)	C55A—C54A—C53A	120.1 (4)
P2A—Ru1A—Cl2A	90.90 (3)	C54A—C55A—C56A	120.6 (4)
P1A—Ru1A—Cl2A	90.67 (3)	C55A—C56A—C51A	120.2 (4)
N2A—Ru1A—Cl1A	170.83 (8)	C62A—C61A—C66A	118.2 (4)
N1A—Ru1A—Cl1A	93.16 (9)	C62A—C61A—P2A	116.2 (3)
P2A—Ru1A—Cl1A	88.95 (3)	C66A—C61A—P2A	125.2 (3)
P1A—Ru1A—Cl1A	87.54 (3)	C63A—C62A—C61A	121.1 (4)
Cl2A—Ru1A—Cl1A	97.31 (3)	C64A—C63A—C62A	120.6 (5)
C21A—P1A—C31A	103.20 (16)	C65A—C64A—C63A	119.2 (4)
C21A—P1A—C11A	105.93 (17)	C64A—C65A—C66A	121.6 (5)
C31A—P1A—C11A	100.90 (15)	C61A—C66A—C65A	119.2 (4)
C21A—P1A—Ru1A	109.31 (11)	N1B—Ru1B—N1B^i	78.19 (16)
C31A—P1A—Ru1A	122.25 (12)	N1B—Ru1B—P1B^i	92.76 (8)
C11A—P1A—Ru1A	113.70 (12)	N1B^i—Ru1B—P1B^i	91.09 (8)
C41A—P2A—C61A	106.71 (16)	N1B—Ru1B—P1B	91.09 (8)
C41A—P2A—C51A	102.31 (15)	N1B^i—Ru1B—P1B	92.76 (8)
C61A—P2A—C51A	102.00 (16)	P1B^i—Ru1B—P1B	175.04 (4)
C41A—P2A—Ru1A	113.46 (11)	N1B—Ru1B—Cl1B	92.01 (8)
C61A—P2A—Ru1A	109.56 (12)	N1B^i—Ru1B—Cl1B	170.15 (8)
C51A—P2A—Ru1A	121.39 (12)	P1B^i—Ru1B—Cl1B	88.39 (3)
C1A—N1A—Ru1A	117.6 (2)	P1B—Ru1B—Cl1B	88.35 (3)
C2A—N2A—Ru1A	118.3 (2)	N1B—Ru1B—Cl1B^i	170.15 (8)
N1A—C1A—C6A	126.7 (4)	N1B^i—Ru1B—Cl1B^i	92.01 (8)
N1A—C1A—C2A	113.4 (3)	P1B^i—Ru1B—Cl1B^i	88.35 (3)
C6A—C1A—C2A	119.9 (3)	P1B—Ru1B—Cl1B^i	88.39 (3)
N2A—C2A—C3A	127.8 (4)	Cl1B—Ru1B—Cl1B^i	97.81 (4)
N2A—C2A—C1A	112.8 (3)	C1B—N1B—Ru1B	117.2 (2)
C3A—C2A—C1A	119.4 (3)	C21B—P1B—C11B	105.47 (17)
C4A—C3A—C2A	118.7 (4)	C21B—P1B—C31B	103.63 (15)
C3A—C4A—C5A	122.0 (4)	C11B—P1B—C31B	100.28 (16)
C6A—C5A—C4A	121.8 (4)	C21B—P1B—Ru1B	112.07 (12)
C5A—C6A—C1A	118.2 (4)	C11B—P1B—Ru1B	114.46 (11)
C12A—C11A—C16A	118.3 (4)	C31B—P1B—Ru1B	119.29 (11)
C12A—C11A—P1A	117.6 (3)	N1B—C1B—C6B	126.8 (3)
C16A—C11A—P1A	124.1 (3)	N1B—C1B—C1B^i	113.65 (19)
C13A—C12A—C11A	120.8 (4)	C6B—C1B—C1B^i	119.5 (2)
C14A—C13A—C12A	120.5 (5)	C6B—C5B—C5B^i	121.6 (2)
C13A—C14A—C15A	120.4 (4)	C5B—C6B—C1B	118.9 (3)
C14A—C15A—C16A	119.6 (4)	C12B—C11B—C16B	118.6 (4)
C15A—C16A—C11A	120.2 (4)	C12B—C11B—P1B	116.9 (3)
C26A—C21A—C22A	117.8 (3)	C16B—C11B—P1B	124.0 (3)
C26A—C21A—P1A	120.5 (3)	C13B—C12B—C11B	120.6 (4)
C22A—C21A—P1A	121.0 (3)	C12B—C13B—C14B	120.5 (4)
C23A—C22A—C21A	120.5 (4)	C15B—C14B—C13B	120.0 (4)
C24A—C23A—C22A	120.8 (4)	C14B—C15B—C16B	120.6 (4)
C23A—C24A—C25A	119.6 (4)	C15B—C16B—C11B	119.7 (4)
C24A—C25A—C26A	119.8 (4)	C26B—C21B—C22B	118.3 (3)
C21A—C26A—C25A	121.5 (3)	C26B—C21B—P1B	121.7 (3)
C36A—C31A—C32A	119.2 (3)	C22B—C21B—P1B	119.6 (3)
C36A—C31A—P1A	121.6 (3)	C23B—C22B—C21B	120.2 (4)
C32A—C31A—P1A	119.1 (3)	C24B—C23B—C22B	119.8 (4)
C31A—C32A—C33A	120.3 (4)	C25B—C24B—C23B	120.5 (4)
C32A—C33A—C34A	120.3 (4)	C24B—C25B—C26B	120.4 (4)
C35A—C34A—C33A	119.9 (4)	C21B—C26B—C25B	120.8 (4)
C34A—C35A—C36A	119.7 (4)	C36B—C31B—C32B	119.6 (3)
C31A—C36A—C35A	120.5 (4)	C36B—C31B—P1B	120.2 (3)
C46A—C41A—C42A	118.0 (3)	C32B—C31B—P1B	120.2 (3)
C46A—C41A—P2A	120.3 (3)	C33B—C32B—C31B	119.8 (4)
C42A—C41A—P2A	121.5 (3)	C32B—C33B—C34B	120.1 (4)
C43A—C42A—C41A	120.5 (4)	C35B—C34B—C33B	120.0 (4)
C42A—C43A—C44A	120.9 (4)	C34B—C35B—C36B	120.5 (4)
C45A—C44A—C43A	119.2 (4)	C31B—C36B—C35B	120.1 (4)

Symmetry code: (i) −x+2, y, −z+1/2.