A paramagnetic precursor for polymeric supramolecular assemblies based on multiply bonded dimetal units: μ-acetato-aceto­nitrile­tris(μ-N,N′-di­phenyl­formamidinato)­di­ruthenium tetra­fluoro­borate di­chloro­methane hemisolvate

The title compound, [Ru₂(C₁₃H₁₁N₂)₃(C₂H₃O₂)(C₂H₃N)]BF₄·0.5CH₂Cl₂ or [Ru₂(μ-DPhF)₃(μ-O₂CMe)(MeCN)]BF₄·0.5CH₂Cl₂, where DPhF is N,N′-diphenyl­formamidinate, crystallized as dark-blue block-shaped crystals. In the unit cell, the diruthenium cation lies on a general position, and the BF₄⁻ anions reside on two independent special positions with crystallographic twofold symmetry. Disorder was observed for one of the phenyl groups in the formamidinate ligand, the axial aceto­nitrile mol­ecule and the interstitial di­chloro­methane mol­ecule. The compound, which exhibits a long Ru—Ru bond of 2.4131 (5) Å, is the first {Ru₂}⁵⁺ formamidin­ate species that is both equatorially and axially functionalized so that it can be used as a precursor for polymeric paramagnetic supramolecular assemblies.

S1. Comment

In our efforts to synthesize paramagnetic diruthenium complexes with a mixed set of labile and non-labile bridging ligands that can be used as building block precursors for the construction of paramagnetic supramolecular assemblies, we have prepared complexes of the Ru₂⁵⁺ core of the general type Ru₂(O₂CMe)_4-n(DArF)_nCl [n = 1, 2, 3 and 4, and DArF is N,N'-di(aryl)formamidinate], which are paramagnetic with three unpaired electrons. In these compounds, the equatorial formamidinate groups are non-labile, while the acetate groups are easily exchanged by various linkers. We have reported the syntheses and magnetic properties of the mono- formamidinate complex Ru₂(O₂CMe)₃(D^2,6XylF)Cl, where D^2,6XylF is N,N'-di(2,6-xylyl)formamidinato (Angaridis, Cotton et al., 2004), the bis-formamidinate complexes trans-Ru₂(O₂CMe)₂(D^2,6XylF)₂Cl and cis-Ru₂(O₂CMe)₂(DAniF)₂Cl, where DAniF is N,N'-di(p-anisyl)formamidinato (Angaridis et al., 2003), and the tris-formamidinate complex Ru₂(O₂CMe)(DAniF)₃Cl (Angaridis, Cotton et al., 2004). The last two complexes have been used for the construction of the first paramagnetic molecular squares and molecular pairs, respectively, by replacing the labile acetate groups with dicarboxylate linkers. The monoformamidinate and both cis and trans bisformamidinate Ru₂⁵⁺ complexes have been characterized, while all attempts to obtain suitable diffracting crystals of the trisformamidinate complex have been unsuccessful.

In this report, we present the crystal structure of a new trisformamidinate complex, [Ru₂(O₂CMe)(DPhF)₃(MeCN)](BF₄), (I) (scheme 1), in which the axial chloride anion is replaced by a very labile acetonitrile molecule. At first glance this compound appears similar to Ru₂(O₂CMe)(DPhF)₃Cl [DPhF is N,N'-di(phenyl)formamidinato; Barral et al., 2004] and Ru₂(O₂CMe)(DAni^oF)₂(O-DAni^oF), where DAni^oF is N,N'-di(o-methoxyphenyl)formamidinato and O-DAni^oF is the o-methoxyphenyl(o-oxyphenyl)formamidinate dianion derived from the previous formamidinate monoanion by removal of a methyl group of one of the methoxy groups (Ren et al., 1999). However, there is an important difference in that compound (I) is further functionalized as a precursor for supramolecular arrays, because the axial positions are readily available for coordination to suitable linkers, which could allow the construction of higher-order architectures.

Complex (I) was synthesized from the reaction of Ru₂(O₂CMe)₄Cl with three equivalents of HDPhF in MeCN in the presence of LiCl and Et₃N, followed by the addition of one equivalent of HBF₄ in Et₂O. Complex (I) was crystallized together with one-half of an equivalent of CH₂Cl₂ from a mixture of MeCN, CH₂Cl₂ and Et₂O at 270 K. As shown in Fig. 1, the Ru₂⁵⁺ unit, which lies on general position in the unit cell, is coordinated by three DPhF ligands and one acetate group, forming the well known paddlewheel structure with eclipsed geometry. The BF₄⁻ anions lie on two independent twofold axes. The Ru1—Ru2 bond length [2.4131 (5) Å; Table 1] is significantly longer than the Ru—Ru distances in the trisformamidinate complexes Ru₂(O₂CMe)(DPhF)₃Cl [2.325 (2) Å] (Barral et al., 2004) and [Ru₂(DAniF)₃Cl](µ-O₂CC₆H₄CO₂)[Ru₂(DAniF)₃Cl], in which the average of the Ru—Ru distances is 2.329 (2)] Å (Angaridis, Berry et al., 2004). It is also longer than the metal–metal distances observed in the Ru₂⁵⁺ tetraformamidinate complexes with a chloride anion as axial ligand (2.34–2.40 Å; Cotton & Ren, 1995; Bear et al., 1996). This difference can be attributed to the axially coordinated MeCN molecule in (I). It appears that the σ-bonding interaction with the dimetalic core increases the anti-bonding σ* electron density between the two metals, resulting in the lengthening of the Ru—Ru bond because of the ability of the MeCN ligand to act as σ donor. A π back-bonding interaction is possibly present to a small degree, as evidenced by the short Ru1—N10 distance of 2.166 (4) Å. The Ru1—O2 and Ru2—O1 distances are longer than the Ru—O distances in the Ru₂⁵⁺ tetracarboxylate complexes (Bino et al., 1979). This difference can be ascribed to the strong trans influence of the formamidinate ligands, which has been shown to affect metal–metal bonded systems (Cotton et al., 2004). The Ru—N distances are slightly shorter than those in the Ru₂⁵⁺ tetraformamidinate complexes (1.997–2.057 Å). The equatorial N atoms coordinated to atom Ru1, which is axially coordinated to the MeCN molecule, have slightly longer distances than the N atoms coordinated to atom Ru2 [2.041 (4)–2.057 (4) versus 1.997 (3)–2.017 (4) Å]. This difference can be attributed to steric repulsion between the DPhF ligands and the MeCN molecule.

S2. Experimental

To a mixture of Ru₂(O₂CMe)₄Cl (237 mg, 0.500 mmol), HDPhF (294 mg, 1.50 mmol), Et₃N (202 mg, 2.00 mmol) and LiCl (500 mg) was added MeCN (30 ml). The mixture was stirred and heated at 323 K for 18 h and HBF₄ (54 wt%) solution in Et₂O was then added (0.09 ml). The resulting dark-blue solution was stirred at room temperature for 2 h. After the solution had been concentrated to half of its original volume, CH₂Cl₂ (5 ml) was added and the resulting solution was layered with Et₂O (60 ml). Dark-blue crystals of (I) grew at about 270 K over a period of one week.

S3. Refinement

During refinement, all H atoms were treated as riding atoms, with phenyl C—H distances of 0.94 Å and methyl C—H distances of 0.97 Å, and with U_iso(H) values of 1.2U_eq(C) for phenyl and formamidine groups and 1.5U_eq(C) for methyl groups. One of the phenyl groups in the DPhF ligands and the axially coordinated MeCN molecule are both disordered over two positions. The dichloromethane molecule is disordered about a twofold axis. The disordered moieties were modeled with distance constraints. Non-H atoms, except the disordered dichloromethane molecule, were refined anisotropically. The largest difference map peak is 0.85 Å from atom Ru1, and the largest negative peak is 0.68 Å from atom Cl1.

Computing details

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2001); software used to prepare material for publication: CIFTAB in SHELXTL (Sheldrick, 2001).

Figures

Fig. 1. Molecular structure of the cation in [Ru2(DPhF)3(O2CMe)(MeCN)] (BF4), with ellipsoids at the 35% probability level. Only one orientation for the disordered phenyl group and the axially coordinated MeCN molecule is shown. H atoms have been omitted for clarity.

(µ-acetato)acetonitriletris(µ-N,N'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate

Crystal data

[Ru2(C13H11N2)3(C2H3O2)(C2H3N)]BF4·0.5CH2Cl2	F(000) = 4096
Mr = 1017.23	Dx = 1.536 Mg m^−3
Orthorhombic, Pnna	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2a 2bc	Cell parameters from 6767 reflections
a = 18.0977 (12) Å	θ = 2.4–27.5°
b = 37.603 (3) Å	µ = 0.81 mm^−1
c = 12.9239 (9) Å	T = 213 K
V = 8795.2 (10) Å^3	Block, dark blue
Z = 8	0.30 × 0.24 × 0.20 mm

Data collection

Bruker SMART 1000 CCD diffractometer	10087 independent reflections
Radiation source: normal-focus sealed tube	8029 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.030
ω scans	θmax = 27.5°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Blessing, 1995; Bruker, 2003)	h = −21→23
Tmin = 0.793, Tmax = 0.855	k = −36→48
54752 measured reflections	l = −16→15

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)] = 0.056	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.144	H-atom parameters constrained
S = 1.81	w = 1/[σ^2(Fo^2) + (0.0405P)^2 + 4P] where P = (Fo^2 + 2Fc^2)/3
10087 reflections	(Δ/σ)max = 0.001
565 parameters	Δρmax = 1.18 e Å^−3
7 restraints	Δρmin = −1.25 e Å^−3

Special details

Experimental. The disordered dichloromethane molecule was refined isotropically.

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	Occ. (<1)
Ru1	0.623280 (18)	0.355318 (9)	0.48021 (2)	0.03100 (10)
Ru2	0.620260 (18)	0.346295 (9)	0.29539 (2)	0.02949 (10)
B1	0.7012 (6)	0.2500	0.7500	0.074 (3)
B2	0.7500	0.5000	0.2714 (11)	0.080 (3)
F1	0.6568 (3)	0.23527 (16)	0.6759 (4)	0.1171 (17)
F2	0.7441 (2)	0.27493 (13)	0.7025 (4)	0.1033 (16)
F3	0.7293 (4)	0.47127 (12)	0.3278 (4)	0.131 (2)
F4	0.6930 (3)	0.50900 (12)	0.2047 (4)	0.1155 (16)
O1	0.67920 (17)	0.30039 (8)	0.3120 (2)	0.0370 (7)
O2	0.68009 (19)	0.30819 (10)	0.4885 (3)	0.0515 (9)
N10	0.6302 (2)	0.36205 (12)	0.6464 (3)	0.0445 (10)
N1	0.7214 (2)	0.38191 (9)	0.4592 (3)	0.0334 (8)
N2	0.71513 (19)	0.37321 (9)	0.2822 (3)	0.0308 (7)
N3	0.5656 (2)	0.40138 (10)	0.4588 (3)	0.0352 (8)
N4	0.56483 (19)	0.39196 (9)	0.2815 (3)	0.0315 (7)
N5	0.5262 (2)	0.32696 (10)	0.4875 (3)	0.0368 (8)
N6	0.5270 (2)	0.31735 (9)	0.3103 (3)	0.0353 (8)
C9	0.7391 (3)	0.25531 (15)	0.4105 (4)	0.0563 (14)
H9A	0.7458	0.2457	0.3415	0.084*
H9B	0.7120	0.2384	0.4526	0.084*
H9C	0.7870	0.2598	0.4416	0.084*
C10	0.7487 (2)	0.38622 (11)	0.3652 (3)	0.0337 (9)
H10A	0.7931	0.3989	0.3569	0.040*
C11	0.7666 (3)	0.39604 (13)	0.5410 (3)	0.0399 (11)
C12	0.7992 (3)	0.37358 (15)	0.6124 (4)	0.0499 (13)
H12A	0.7910	0.3489	0.6083	0.060*
C13	0.8441 (3)	0.38729 (18)	0.6901 (4)	0.0616 (16)
H13A	0.8671	0.3718	0.7374	0.074*
C14	0.8547 (4)	0.4228 (2)	0.6979 (5)	0.0719 (18)
H14A	0.8845	0.4321	0.7511	0.086*
C15	0.8224 (6)	0.4450 (2)	0.6292 (6)	0.110 (3)
H15A	0.8304	0.4696	0.6351	0.132*
C16	0.7776 (4)	0.43226 (17)	0.5498 (5)	0.082 (2)
H16A	0.7553	0.4481	0.5030	0.099*
C21	0.7487 (2)	0.37776 (12)	0.1835 (3)	0.0357 (9)
C22	0.7469 (3)	0.34955 (15)	0.1145 (4)	0.0519 (13)
H22A	0.7235	0.3281	0.1331	0.062*
C23	0.7795 (4)	0.3530 (2)	0.0180 (5)	0.077 (2)
H23A	0.7783	0.3339	−0.0289	0.092*
C24	0.8133 (4)	0.3837 (2)	−0.0091 (5)	0.086 (2)
H24A	0.8359	0.3857	−0.0743	0.103*
C25	0.8145 (4)	0.4122 (2)	0.0585 (5)	0.085 (2)
H25A	0.8375	0.4336	0.0390	0.102*
C26	0.7818 (3)	0.40912 (16)	0.1551 (4)	0.0570 (14)
H26A	0.7822	0.4285	0.2011	0.068*
C30	0.5489 (2)	0.41149 (12)	0.3640 (3)	0.0370 (10)
H30A	0.5248	0.4334	0.3546	0.044*
C31A	0.5397 (3)	0.42474 (13)	0.5390 (3)	0.0418 (11)	0.502 (5)
C32A	0.4658 (6)	0.4298 (3)	0.5515 (8)	0.057 (2)	0.502 (5)
H32A	0.4326	0.4180	0.5073	0.068*	0.502 (5)
C33A	0.4385 (8)	0.4520 (4)	0.6287 (9)	0.071 (3)	0.502 (5)
H33A	0.3873	0.4547	0.6378	0.085*	0.502 (5)
C34A	0.4870 (5)	0.46996 (18)	0.6913 (5)	0.079 (2)	0.502 (5)
H34A	0.4692	0.4875	0.7366	0.095*	0.502 (5)
C35A	0.5633 (9)	0.4624 (3)	0.6887 (10)	0.072 (2)	0.502 (5)
H35A	0.5955	0.4720	0.7385	0.086*	0.502 (5)
C36A	0.5899 (7)	0.4402 (3)	0.6100 (9)	0.060 (3)	0.502 (5)
H36A	0.6408	0.4355	0.6044	0.072*	0.502 (5)
C31B	0.5397 (3)	0.42474 (13)	0.5390 (3)	0.0418 (11)	0.498 (5)
C32B	0.4896 (6)	0.4130 (4)	0.6138 (8)	0.057 (2)	0.498 (5)
H32B	0.4726	0.3894	0.6143	0.068*	0.498 (5)
C33B	0.4655 (8)	0.4375 (4)	0.6879 (10)	0.071 (3)	0.498 (5)
H33B	0.4315	0.4297	0.7381	0.085*	0.498 (5)
C34B	0.4870 (5)	0.46996 (18)	0.6913 (5)	0.079 (2)	0.498 (5)
H34B	0.4707	0.4850	0.7448	0.095*	0.498 (5)
C35B	0.5356 (8)	0.4832 (3)	0.6142 (9)	0.072 (2)	0.498 (5)
H35B	0.5498	0.5072	0.6138	0.086*	0.498 (5)
C36B	0.5620 (8)	0.4597 (3)	0.5386 (10)	0.072 (2)	0.498 (5)
H36B	0.5950	0.4678	0.4877	0.086*	0.498 (5)
C41	0.5522 (3)	0.40796 (13)	0.1830 (3)	0.0393 (10)
C42	0.5161 (3)	0.38878 (15)	0.1065 (4)	0.0503 (12)
H42A	0.5004	0.3653	0.1192	0.060*
C43	0.5033 (4)	0.4045 (2)	0.0113 (4)	0.0695 (18)
H43A	0.4796	0.3915	−0.0413	0.083*
C44	0.5254 (5)	0.4393 (2)	−0.0069 (5)	0.083 (2)
H44A	0.5157	0.4501	−0.0711	0.100*
C45	0.5613 (5)	0.45795 (17)	0.0695 (5)	0.084 (2)
H45A	0.5758	0.4816	0.0572	0.100*
C46	0.5765 (4)	0.44247 (15)	0.1645 (4)	0.0583 (15)
H46A	0.6028	0.4551	0.2154	0.070*
C50	0.4963 (2)	0.31307 (12)	0.4030 (4)	0.0374 (10)
H50A	0.4524	0.2999	0.4087	0.045*
C51	0.4878 (3)	0.31902 (13)	0.5818 (4)	0.0422 (11)
C52	0.5226 (3)	0.30136 (16)	0.6604 (4)	0.0591 (15)
H52A	0.5713	0.2932	0.6518	0.071*
C53	0.4855 (3)	0.29555 (18)	0.7530 (5)	0.0699 (18)
H53A	0.5105	0.2842	0.8076	0.084*
C54	0.4156 (4)	0.3056 (2)	0.7667 (5)	0.082 (2)
H54A	0.3924	0.3028	0.8313	0.098*
C55	0.3777 (4)	0.3202 (2)	0.6836 (5)	0.078 (2)
H55A	0.3270	0.3253	0.6899	0.094*
C56	0.4139 (3)	0.32738 (18)	0.5917 (5)	0.0656 (17)
H56A	0.3883	0.3379	0.5363	0.079*
C61	0.4943 (3)	0.30080 (12)	0.2226 (4)	0.0392 (10)
C62	0.4186 (3)	0.29581 (13)	0.2111 (4)	0.0477 (12)
H62A	0.3861	0.3026	0.2643	0.057*
C63	0.3912 (3)	0.28082 (15)	0.1210 (4)	0.0576 (15)
H63A	0.3401	0.2768	0.1145	0.069*
C64	0.4381 (3)	0.27161 (14)	0.0399 (4)	0.0585 (15)
H64A	0.4189	0.2625	−0.0222	0.070*
C65	0.5133 (3)	0.27612 (15)	0.0520 (4)	0.0568 (14)
H65A	0.5458	0.2692	−0.0011	0.068*
C66	0.5410 (3)	0.29078 (14)	0.1420 (4)	0.0509 (13)
H66A	0.5923	0.2941	0.1489	0.061*
C70	0.6967 (2)	0.28932 (12)	0.4041 (3)	0.0376 (10)
C71	0.6331 (6)	0.3591 (3)	0.7334 (5)	0.054 (2)	0.691 (12)
C72	0.6353 (8)	0.3591 (5)	0.8450 (7)	0.124 (6)	0.691 (12)
H72D	0.6746	0.3746	0.8686	0.186*	0.691 (12)
H72E	0.6443	0.3351	0.8695	0.186*	0.691 (12)
H72F	0.5884	0.3675	0.8719	0.186*	0.691 (12)
C71B	0.6353 (14)	0.3779 (6)	0.7258 (12)	0.054 (2)	0.309 (12)
C72B	0.6439 (19)	0.3938 (11)	0.8260 (15)	0.124 (6)	0.309 (12)
H72A	0.6008	0.3886	0.8680	0.186*	0.309 (12)
H72B	0.6492	0.4193	0.8185	0.186*	0.309 (12)
H72C	0.6876	0.3842	0.8593	0.186*	0.309 (12)
C1S	0.7316 (7)	0.4890 (7)	0.9462 (17)	0.226 (15)*	0.50
H11S	0.7392	0.4955	1.0188	0.272*	0.50
H12S	0.7244	0.4632	0.9417	0.272*	0.50
Cl1	0.6535 (4)	0.5120 (2)	0.8940 (7)	0.184 (3)*	0.50
Cl2	0.8080 (4)	0.5025 (3)	0.8696 (8)	0.231 (4)*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ru1	0.03311 (19)	0.03554 (19)	0.02433 (17)	0.00172 (15)	−0.00160 (14)	0.00148 (12)
Ru2	0.03060 (18)	0.03149 (18)	0.02636 (17)	0.00056 (14)	−0.00234 (13)	−0.00028 (12)
B1	0.046 (5)	0.108 (9)	0.070 (7)	0.000	0.000	0.037 (6)
B2	0.101 (9)	0.048 (6)	0.091 (9)	0.012 (6)	0.000	0.000
F1	0.101 (3)	0.154 (5)	0.096 (3)	−0.010 (3)	−0.028 (3)	0.009 (3)
F2	0.073 (3)	0.109 (4)	0.128 (4)	−0.005 (2)	0.009 (2)	0.067 (3)
F3	0.243 (7)	0.071 (3)	0.080 (3)	0.001 (4)	0.014 (4)	0.022 (2)
F4	0.121 (4)	0.070 (3)	0.155 (5)	−0.017 (3)	−0.018 (3)	0.019 (3)
O1	0.0375 (16)	0.0316 (16)	0.0419 (17)	0.0030 (13)	−0.0039 (13)	0.0003 (13)
O2	0.048 (2)	0.052 (2)	0.054 (2)	0.0000 (17)	−0.0077 (16)	0.0017 (17)
N10	0.033 (2)	0.064 (3)	0.037 (2)	0.0050 (19)	−0.0029 (16)	−0.0042 (18)
C71	0.067 (4)	0.065 (6)	0.030 (3)	0.033 (6)	−0.003 (3)	−0.020 (4)
C72	0.144 (10)	0.198 (17)	0.030 (4)	0.017 (13)	−0.010 (6)	−0.008 (7)
C71B	0.067 (4)	0.065 (6)	0.030 (3)	0.033 (6)	−0.003 (3)	−0.020 (4)
C72B	0.144 (10)	0.198 (17)	0.030 (4)	0.017 (13)	−0.010 (6)	−0.008 (7)
N1	0.0377 (19)	0.0308 (19)	0.0316 (19)	−0.0018 (15)	−0.0034 (15)	−0.0052 (14)
N2	0.0351 (18)	0.0289 (18)	0.0284 (17)	0.0010 (15)	0.0010 (14)	−0.0016 (13)
N3	0.041 (2)	0.033 (2)	0.0318 (19)	0.0077 (16)	0.0044 (15)	0.0005 (14)
N4	0.0295 (18)	0.0356 (19)	0.0294 (17)	0.0026 (15)	−0.0016 (14)	0.0047 (14)
N5	0.0343 (19)	0.038 (2)	0.038 (2)	−0.0008 (16)	0.0006 (15)	0.0093 (16)
N6	0.037 (2)	0.0295 (19)	0.040 (2)	−0.0022 (15)	−0.0055 (16)	0.0012 (15)
C9	0.066 (4)	0.046 (3)	0.058 (3)	0.017 (3)	−0.014 (3)	0.000 (2)
C10	0.036 (2)	0.031 (2)	0.034 (2)	−0.0009 (18)	−0.0020 (17)	−0.0035 (17)
C11	0.042 (3)	0.049 (3)	0.029 (2)	−0.005 (2)	−0.0026 (18)	−0.0088 (19)
C12	0.049 (3)	0.051 (3)	0.049 (3)	0.007 (2)	−0.010 (2)	−0.013 (2)
C13	0.055 (3)	0.084 (5)	0.046 (3)	0.010 (3)	−0.013 (3)	−0.013 (3)
C14	0.071 (4)	0.090 (5)	0.055 (4)	−0.016 (4)	−0.019 (3)	−0.023 (3)
C15	0.178 (9)	0.057 (4)	0.094 (6)	−0.027 (5)	−0.062 (6)	−0.019 (4)
C16	0.123 (6)	0.050 (4)	0.074 (4)	−0.019 (4)	−0.047 (4)	0.000 (3)
C21	0.033 (2)	0.044 (3)	0.030 (2)	0.0014 (19)	0.0029 (17)	−0.0017 (18)
C22	0.060 (3)	0.058 (3)	0.038 (3)	0.000 (3)	0.006 (2)	−0.009 (2)
C23	0.084 (5)	0.108 (6)	0.039 (3)	0.002 (4)	0.011 (3)	−0.023 (3)
C24	0.091 (5)	0.126 (7)	0.040 (3)	−0.022 (5)	0.025 (3)	−0.003 (4)
C25	0.089 (5)	0.107 (6)	0.059 (4)	−0.034 (4)	0.021 (4)	0.017 (4)
C26	0.065 (3)	0.063 (4)	0.043 (3)	−0.015 (3)	0.009 (3)	0.002 (2)
C30	0.038 (2)	0.037 (2)	0.036 (2)	0.0093 (19)	0.0007 (18)	−0.0003 (18)
C31A	0.051 (3)	0.042 (3)	0.032 (2)	0.010 (2)	0.002 (2)	−0.0009 (19)
C32A	0.057 (5)	0.071 (6)	0.042 (4)	0.007 (4)	0.007 (4)	−0.012 (4)
C33A	0.075 (7)	0.092 (8)	0.046 (5)	0.019 (5)	0.021 (5)	−0.009 (5)
C34A	0.115 (6)	0.055 (4)	0.068 (4)	0.022 (4)	0.024 (4)	−0.017 (3)
C35A	0.112 (7)	0.040 (4)	0.064 (5)	0.002 (4)	0.014 (4)	−0.015 (3)
C36A	0.065 (7)	0.050 (7)	0.066 (8)	0.003 (6)	0.007 (6)	−0.013 (6)
C31B	0.051 (3)	0.042 (3)	0.032 (2)	0.010 (2)	0.002 (2)	−0.0009 (19)
C32B	0.057 (5)	0.071 (6)	0.042 (4)	0.007 (4)	0.007 (4)	−0.012 (4)
C33B	0.075 (7)	0.092 (8)	0.046 (5)	0.019 (5)	0.021 (5)	−0.009 (5)
C34B	0.115 (6)	0.055 (4)	0.068 (4)	0.022 (4)	0.024 (4)	−0.017 (3)
C35B	0.112 (7)	0.040 (4)	0.064 (5)	0.002 (4)	0.014 (4)	−0.015 (3)
C36B	0.112 (7)	0.040 (4)	0.064 (5)	0.002 (4)	0.014 (4)	−0.015 (3)
C41	0.038 (2)	0.046 (3)	0.034 (2)	0.011 (2)	0.0025 (19)	0.0053 (19)
C42	0.056 (3)	0.056 (3)	0.039 (3)	0.003 (3)	−0.005 (2)	0.007 (2)
C43	0.086 (5)	0.080 (5)	0.043 (3)	0.011 (4)	−0.014 (3)	0.004 (3)
C44	0.132 (7)	0.076 (5)	0.042 (3)	0.030 (5)	0.000 (4)	0.023 (3)
C45	0.146 (7)	0.048 (4)	0.056 (4)	0.019 (4)	0.013 (4)	0.016 (3)
C46	0.087 (4)	0.045 (3)	0.042 (3)	0.007 (3)	0.005 (3)	0.006 (2)
C50	0.030 (2)	0.035 (2)	0.047 (3)	−0.0029 (18)	−0.0042 (19)	0.0080 (19)
C51	0.034 (2)	0.049 (3)	0.044 (3)	0.005 (2)	0.006 (2)	0.013 (2)
C52	0.059 (3)	0.066 (4)	0.052 (3)	0.018 (3)	0.014 (3)	0.024 (3)
C53	0.071 (4)	0.083 (5)	0.056 (4)	0.019 (3)	0.012 (3)	0.038 (3)
C54	0.066 (4)	0.115 (6)	0.064 (4)	0.022 (4)	0.028 (3)	0.043 (4)
C55	0.058 (4)	0.092 (5)	0.085 (5)	0.019 (4)	0.029 (3)	0.027 (4)
C56	0.058 (3)	0.078 (4)	0.061 (4)	0.017 (3)	0.008 (3)	0.023 (3)
C61	0.044 (3)	0.029 (2)	0.044 (3)	−0.0042 (19)	−0.011 (2)	0.0040 (18)
C62	0.048 (3)	0.039 (3)	0.056 (3)	−0.007 (2)	−0.015 (2)	0.008 (2)
C63	0.058 (3)	0.047 (3)	0.067 (4)	−0.012 (3)	−0.031 (3)	0.011 (3)
C64	0.079 (4)	0.042 (3)	0.054 (3)	−0.009 (3)	−0.029 (3)	0.003 (2)
C65	0.069 (4)	0.055 (3)	0.047 (3)	−0.005 (3)	−0.010 (3)	−0.008 (2)
C66	0.051 (3)	0.048 (3)	0.054 (3)	−0.009 (2)	−0.010 (2)	−0.007 (2)
C70	0.036 (2)	0.039 (3)	0.037 (2)	0.0006 (19)	−0.0063 (19)	−0.0019 (19)

Geometric parameters (Å, º)

Ru1—Ru2	2.4131 (5)	C23—H23A	0.9400
Ru1—N3	2.041 (4)	C24—C25	1.382 (10)
Ru1—O2	2.052 (4)	C24—H24A	0.9400
Ru1—N1	2.057 (4)	C25—C26	1.388 (8)
Ru1—N5	2.057 (4)	C25—H25A	0.9400
Ru1—N10	2.166 (4)	C26—H26A	0.9400
Ru2—N4	1.997 (3)	C30—H30A	0.9400
Ru2—N2	2.000 (3)	C31A—C32A	1.361 (12)
Ru2—N6	2.017 (4)	C31A—C36A	1.415 (13)
Ru2—O1	2.041 (3)	C32A—C33A	1.393 (15)
B1—F2	1.363 (7)	C32A—H32A	0.9400
B1—F2^i	1.363 (7)	C33A—C34A	1.371 (16)
B1—F1	1.368 (7)	C33A—H33A	0.9400
B1—F1^i	1.368 (7)	C34A—C35A	1.410 (16)
B2—F3^ii	1.356 (8)	C34A—H34A	0.9400
B2—F3	1.356 (8)	C35A—C36A	1.401 (15)
B2—F4	1.387 (9)	C35A—H35A	0.9400
B2—F4^ii	1.387 (9)	C36A—H36A	0.9400
O1—C70	1.301 (5)	C32B—C33B	1.399 (16)
O2—C70	1.335 (6)	C32B—H32B	0.9400
N10—C71	1.131 (8)	C33B—H33B	0.9400
N10—C71B	1.191 (13)	C35B—C36B	1.401 (15)
C71—C72	1.442 (10)	C35B—H35B	0.9400
C72—H72D	0.9700	C36B—H36B	0.9400
C72—H72E	0.9700	C41—C42	1.388 (7)
C72—H72F	0.9700	C41—C46	1.391 (7)
C71B—C72B	1.434 (17)	C42—C43	1.384 (7)
C72B—H72A	0.9700	C42—H42A	0.9400
C72B—H72B	0.9700	C43—C44	1.389 (10)
C72B—H72C	0.9700	C43—H43A	0.9400
N1—C10	1.321 (5)	C44—C45	1.375 (10)
N1—C11	1.438 (5)	C44—H44A	0.9400
N2—C10	1.326 (5)	C45—C46	1.386 (8)
N2—C21	1.423 (5)	C45—H45A	0.9400
N3—C30	1.317 (5)	C46—H46A	0.9400
N3—C31A	1.437 (5)	C50—H50A	0.9400
N4—C30	1.326 (5)	C51—C52	1.367 (7)
N4—C41	1.426 (5)	C51—C56	1.380 (7)
N5—C50	1.327 (6)	C52—C53	1.389 (7)
N5—C51	1.435 (6)	C52—H52A	0.9400
N6—C50	1.330 (6)	C53—C54	1.332 (8)
N6—C61	1.422 (5)	C53—H53A	0.9400
C9—C70	1.493 (7)	C54—C55	1.388 (9)
C9—H9A	0.9700	C54—H54A	0.9400
C9—H9B	0.9700	C55—C56	1.383 (8)
C9—H9C	0.9700	C55—H55A	0.9400
C10—H10A	0.9400	C56—H56A	0.9400
C11—C16	1.381 (8)	C61—C62	1.392 (7)
C11—C12	1.383 (7)	C61—C66	1.394 (7)
C12—C13	1.391 (7)	C62—C63	1.385 (7)
C12—H12A	0.9400	C62—H62A	0.9400
C13—C14	1.354 (9)	C63—C64	1.393 (8)
C13—H13A	0.9400	C63—H63A	0.9400
C14—C15	1.350 (10)	C64—C65	1.380 (8)
C14—H14A	0.9400	C64—H64A	0.9400
C15—C16	1.392 (8)	C65—C66	1.381 (7)
C15—H15A	0.9400	C65—H65A	0.9400
C16—H16A	0.9400	C66—H66A	0.9400
C21—C26	1.373 (7)	C1S—Cl2	1.775 (9)
C21—C22	1.386 (6)	C1S—Cl1	1.789 (9)
C22—C23	1.387 (7)	C1S—H11S	0.9800
C22—H22A	0.9400	C1S—H12S	0.9800
C23—C24	1.353 (10)
N3—Ru1—O2	175.09 (14)	C23—C22—H22A	120.1
N3—Ru1—N1	90.64 (14)	C24—C23—C22	120.3 (6)
O2—Ru1—N1	89.65 (14)	C24—C23—H23A	119.8
N3—Ru1—N5	90.56 (15)	C22—C23—H23A	119.8
O2—Ru1—N5	88.72 (14)	C23—C24—C25	120.4 (6)
N1—Ru1—N5	174.69 (14)	C23—C24—H24A	119.8
N3—Ru1—N10	93.75 (15)	C25—C24—H24A	119.8
O2—Ru1—N10	91.15 (15)	C24—C25—C26	119.8 (6)
N1—Ru1—N10	91.38 (14)	C24—C25—H25A	120.1
N5—Ru1—N10	93.70 (15)	C26—C25—H25A	120.1
N3—Ru1—Ru2	88.47 (10)	C21—C26—C25	119.9 (6)
O2—Ru1—Ru2	86.65 (10)	C21—C26—H26A	120.0
N1—Ru1—Ru2	87.54 (9)	C25—C26—H26A	120.0
N5—Ru1—Ru2	87.33 (10)	N3—C30—N4	122.5 (4)
N10—Ru1—Ru2	177.54 (11)	N3—C30—H30A	118.7
N4—Ru2—N2	89.33 (14)	N4—C30—H30A	118.7
N4—Ru2—N6	93.00 (14)	C32A—C31A—C36A	119.8 (7)
N2—Ru2—N6	177.63 (14)	C32A—C31A—N3	119.4 (6)
N4—Ru2—O1	178.33 (13)	C36A—C31A—N3	120.6 (6)
N2—Ru2—O1	89.33 (13)	C31A—C32A—C33A	121.1 (11)
N6—Ru2—O1	88.33 (13)	C31A—C32A—H32A	119.4
N4—Ru2—Ru1	88.82 (10)	C33A—C32A—H32A	119.4
N2—Ru2—Ru1	89.65 (9)	C34A—C33A—C32A	119.5 (12)
N6—Ru2—Ru1	90.02 (10)	C34A—C33A—H33A	120.3
O1—Ru2—Ru1	90.17 (8)	C32A—C33A—H33A	120.3
F2—B1—F2^i	110.7 (8)	C33A—C34A—C35A	120.9 (8)
F2—B1—F1	107.3 (3)	C33A—C34A—H34A	119.6
F2^i—B1—F1	111.8 (3)	C35A—C34A—H34A	119.6
F2—B1—F1^i	111.8 (3)	C36A—C35A—C34A	118.3 (12)
F2^i—B1—F1^i	107.3 (3)	C36A—C35A—H35A	120.8
F1—B1—F1^i	108.0 (8)	C34A—C35A—H35A	120.8
F3^ii—B2—F3	115.0 (11)	C35A—C36A—C31A	119.7 (11)
F3^ii—B2—F4	110.2 (3)	C35A—C36A—H36A	120.2
F3—B2—F4	108.8 (3)	C31A—C36A—H36A	120.2
F3^ii—B2—F4^ii	108.8 (3)	C33B—C32B—H32B	121.1
F3—B2—F4^ii	110.2 (3)	C32B—C33B—H33B	118.1
F4—B2—F4^ii	103.1 (10)	C36B—C35B—H35B	120.6
C70—O1—Ru2	119.6 (3)	C35B—C36B—H36B	120.0
C70—O2—Ru1	122.0 (3)	C42—C41—C46	120.7 (5)
C71—N10—Ru1	167.7 (7)	C42—C41—N4	119.5 (4)
C71B—N10—Ru1	156.6 (13)	C46—C41—N4	119.8 (4)
N10—C71—C72	174.4 (11)	C43—C42—C41	119.4 (6)
C71—C72—H72D	109.5	C43—C42—H42A	120.3
C71—C72—H72E	109.5	C41—C42—H42A	120.3
H72D—C72—H72E	109.5	C42—C43—C44	120.3 (6)
C71—C72—H72F	109.5	C42—C43—H43A	119.9
H72D—C72—H72F	109.5	C44—C43—H43A	119.9
H72E—C72—H72F	109.5	C45—C44—C43	119.7 (6)
N10—C71B—C72B	174 (2)	C45—C44—H44A	120.1
C71B—C72B—H72A	109.5	C43—C44—H44A	120.1
C71B—C72B—H72B	109.5	C44—C45—C46	121.0 (6)
H72A—C72B—H72B	109.5	C44—C45—H45A	119.5
C71B—C72B—H72C	109.5	C46—C45—H45A	119.5
H72A—C72B—H72C	109.5	C45—C46—C41	118.8 (6)
H72B—C72B—H72C	109.5	C45—C46—H46A	120.6
C10—N1—C11	114.8 (4)	C41—C46—H46A	120.6
C10—N1—Ru1	120.2 (3)	N5—C50—N6	121.6 (4)
C11—N1—Ru1	125.0 (3)	N5—C50—H50A	119.2
C10—N2—C21	119.0 (4)	N6—C50—H50A	119.2
C10—N2—Ru2	120.7 (3)	C52—C51—C56	119.2 (5)
C21—N2—Ru2	120.2 (3)	C52—C51—N5	120.6 (4)
C30—N3—C31A	114.8 (4)	C56—C51—N5	120.1 (4)
C30—N3—Ru1	119.2 (3)	C51—C52—C53	119.6 (5)
C31A—N3—Ru1	126.0 (3)	C51—C52—H52A	120.2
C30—N4—C41	116.7 (4)	C53—C52—H52A	120.2
C30—N4—Ru2	120.8 (3)	C54—C53—C52	121.9 (6)
C41—N4—Ru2	121.6 (3)	C54—C53—H53A	119.1
C50—N5—C51	114.8 (4)	C52—C53—H53A	119.1
C50—N5—Ru1	121.0 (3)	C53—C54—C55	118.6 (6)
C51—N5—Ru1	124.1 (3)	C53—C54—H54A	120.7
C50—N6—C61	119.4 (4)	C55—C54—H54A	120.7
C50—N6—Ru2	120.0 (3)	C56—C55—C54	120.5 (6)
C61—N6—Ru2	120.5 (3)	C56—C55—H55A	119.8
C70—C9—H9A	109.5	C54—C55—H55A	119.8
C70—C9—H9B	109.5	C51—C56—C55	119.6 (6)
H9A—C9—H9B	109.5	C51—C56—H56A	120.2
C70—C9—H9C	109.5	C55—C56—H56A	120.2
H9A—C9—H9C	109.5	C62—C61—C66	118.8 (5)
H9B—C9—H9C	109.5	C62—C61—N6	123.7 (5)
N1—C10—N2	121.9 (4)	C66—C61—N6	117.5 (4)
N1—C10—H10A	119.1	C63—C62—C61	119.8 (5)
N2—C10—H10A	119.1	C63—C62—H62A	120.1
C16—C11—C12	119.0 (5)	C61—C62—H62A	120.1
C16—C11—N1	120.5 (5)	C62—C63—C64	121.0 (5)
C12—C11—N1	120.5 (4)	C62—C63—H63A	119.5
C11—C12—C13	120.3 (5)	C64—C63—H63A	119.5
C11—C12—H12A	119.8	C65—C64—C63	119.1 (5)
C13—C12—H12A	119.8	C65—C64—H64A	120.5
C14—C13—C12	120.1 (6)	C63—C64—H64A	120.5
C14—C13—H13A	119.9	C64—C65—C66	120.2 (6)
C12—C13—H13A	119.9	C64—C65—H65A	119.9
C15—C14—C13	119.9 (6)	C66—C65—H65A	119.9
C15—C14—H14A	120.0	C65—C66—C61	121.1 (5)
C13—C14—H14A	120.0	C65—C66—H66A	119.4
C14—C15—C16	121.6 (7)	C61—C66—H66A	119.4
C14—C15—H15A	119.2	O1—C70—O2	121.5 (4)
C16—C15—H15A	119.2	O1—C70—C9	116.7 (4)
C11—C16—C15	118.9 (6)	O2—C70—C9	121.7 (4)
C11—C16—H16A	120.5	Cl2—C1S—Cl1	105.5 (5)
C15—C16—H16A	120.5	Cl2—C1S—H11S	110.6
C26—C21—C22	119.7 (5)	Cl1—C1S—H11S	110.6
C26—C21—N2	121.9 (4)	Cl2—C1S—H12S	110.6
C22—C21—N2	118.3 (4)	Cl1—C1S—H12S	110.6
C21—C22—C23	119.8 (6)	H11S—C1S—H12S	108.8
C21—C22—H22A	120.1
N3—Ru1—Ru2—N4	0.53 (14)	C16—C11—C12—C13	−1.7 (8)
O2—Ru1—Ru2—N4	−179.98 (14)	N1—C11—C12—C13	178.7 (5)
N1—Ru1—Ru2—N4	−90.18 (14)	C11—C12—C13—C14	1.6 (9)
N5—Ru1—Ru2—N4	91.15 (14)	C12—C13—C14—C15	−0.9 (11)
N3—Ru1—Ru2—N2	89.87 (14)	C13—C14—C15—C16	0.4 (14)
O2—Ru1—Ru2—N2	−90.63 (14)	C12—C11—C16—C15	1.2 (11)
N1—Ru1—Ru2—N2	−0.84 (14)	N1—C11—C16—C15	−179.2 (7)
N5—Ru1—Ru2—N2	−179.50 (14)	C14—C15—C16—C11	−0.5 (14)
N3—Ru1—Ru2—N6	−92.47 (15)	C10—N2—C21—C26	−41.3 (6)
O2—Ru1—Ru2—N6	87.02 (14)	Ru2—N2—C21—C26	140.5 (4)
N1—Ru1—Ru2—N6	176.82 (14)	C10—N2—C21—C22	139.3 (5)
N5—Ru1—Ru2—N6	−1.85 (14)	Ru2—N2—C21—C22	−38.9 (5)
N3—Ru1—Ru2—O1	179.20 (13)	C26—C21—C22—C23	1.1 (8)
O2—Ru1—Ru2—O1	−1.30 (13)	N2—C21—C22—C23	−179.5 (5)
N1—Ru1—Ru2—O1	88.49 (13)	C21—C22—C23—C24	0.1 (10)
N5—Ru1—Ru2—O1	−90.17 (14)	C22—C23—C24—C25	−1.0 (12)
N2—Ru2—O1—C70	92.4 (3)	C23—C24—C25—C26	0.7 (13)
N6—Ru2—O1—C70	−87.3 (3)	C22—C21—C26—C25	−1.4 (9)
Ru1—Ru2—O1—C70	2.7 (3)	N2—C21—C26—C25	179.3 (5)
N1—Ru1—O2—C70	−87.2 (4)	C24—C25—C26—C21	0.5 (11)
N5—Ru1—O2—C70	87.7 (4)	C31A—N3—C30—N4	−176.0 (4)
N10—Ru1—O2—C70	−178.6 (4)	Ru1—N3—C30—N4	3.6 (6)
Ru2—Ru1—O2—C70	0.3 (3)	C41—N4—C30—N3	−172.3 (4)
N3—Ru1—N10—C71	146 (3)	Ru2—N4—C30—N3	−3.0 (6)
O2—Ru1—N10—C71	−33 (3)	C30—N3—C31A—C32A	62.9 (8)
N1—Ru1—N10—C71	−123 (3)	Ru1—N3—C31A—C32A	−116.6 (7)
N5—Ru1—N10—C71	55 (3)	C30—N3—C31A—C36A	−122.4 (7)
N3—Ru1—N10—C71B	−34 (3)	Ru1—N3—C31A—C36A	58.2 (8)
O2—Ru1—N10—C71B	146 (3)	C36A—C31A—C32A—C33A	4.8 (16)
N1—Ru1—N10—C71B	57 (3)	N3—C31A—C32A—C33A	179.6 (10)
N5—Ru1—N10—C71B	−125 (3)	C31A—C32A—C33A—C34A	1.8 (19)
N3—Ru1—N1—C10	−87.1 (3)	C32A—C33A—C34A—C35A	−9.2 (18)
O2—Ru1—N1—C10	88.0 (3)	C33A—C34A—C35A—C36A	9.7 (17)
N10—Ru1—N1—C10	179.2 (3)	C34A—C35A—C36A—C31A	−3.0 (17)
Ru2—Ru1—N1—C10	1.4 (3)	C32A—C31A—C36A—C35A	−4.1 (15)
N3—Ru1—N1—C11	94.9 (4)	N3—C31A—C36A—C35A	−178.9 (9)
O2—Ru1—N1—C11	−90.0 (4)	C30—N4—C41—C42	−133.7 (5)
N10—Ru1—N1—C11	1.2 (4)	Ru2—N4—C41—C42	57.0 (5)
Ru2—Ru1—N1—C11	−176.6 (3)	C30—N4—C41—C46	46.6 (6)
N4—Ru2—N2—C10	89.4 (3)	Ru2—N4—C41—C46	−122.6 (4)
O1—Ru2—N2—C10	−89.6 (3)	C46—C41—C42—C43	−0.9 (8)
Ru1—Ru2—N2—C10	0.6 (3)	N4—C41—C42—C43	179.4 (5)
N4—Ru2—N2—C21	−92.4 (3)	C41—C42—C43—C44	−1.1 (10)
O1—Ru2—N2—C21	88.6 (3)	C42—C43—C44—C45	1.3 (11)
Ru1—Ru2—N2—C21	178.8 (3)	C43—C44—C45—C46	0.5 (12)
N1—Ru1—N3—C30	85.4 (4)	C44—C45—C46—C41	−2.5 (10)
N5—Ru1—N3—C30	−89.5 (4)	C42—C41—C46—C45	2.7 (8)
N10—Ru1—N3—C30	176.8 (4)	N4—C41—C46—C45	−177.7 (5)
Ru2—Ru1—N3—C30	−2.2 (3)	C51—N5—C50—N6	−178.1 (4)
N1—Ru1—N3—C31A	−95.2 (4)	Ru1—N5—C50—N6	−1.1 (6)
N5—Ru1—N3—C31A	90.0 (4)	C61—N6—C50—N5	177.6 (4)
N10—Ru1—N3—C31A	−3.8 (4)	Ru2—N6—C50—N5	−1.2 (6)
Ru2—Ru1—N3—C31A	177.3 (4)	C50—N5—C51—C52	120.4 (6)
N2—Ru2—N4—C30	−88.7 (3)	Ru1—N5—C51—C52	−56.6 (6)
N6—Ru2—N4—C30	90.9 (4)	C50—N5—C51—C56	−55.9 (7)
Ru1—Ru2—N4—C30	1.0 (3)	Ru1—N5—C51—C56	127.1 (5)
N2—Ru2—N4—C41	80.1 (3)	C56—C51—C52—C53	−7.0 (10)
N6—Ru2—N4—C41	−100.3 (3)	N5—C51—C52—C53	176.7 (6)
Ru1—Ru2—N4—C41	169.8 (3)	C51—C52—C53—C54	2.4 (11)
N3—Ru1—N5—C50	90.6 (4)	C52—C53—C54—C55	4.1 (12)
O2—Ru1—N5—C50	−84.6 (4)	C53—C54—C55—C56	−6.2 (13)
Ru2—Ru1—N5—C50	2.1 (3)	C52—C51—C56—C55	4.9 (10)
N3—Ru1—N5—C51	−92.7 (4)	N5—C51—C56—C55	−178.8 (6)
O2—Ru1—N5—C51	92.2 (4)	C54—C55—C56—C51	1.7 (12)
N10—Ru1—N5—C51	1.1 (4)	C50—N6—C61—C62	33.7 (7)
Ru2—Ru1—N5—C51	178.9 (3)	Ru2—N6—C61—C62	−147.6 (4)
N4—Ru2—N6—C50	−86.6 (3)	C50—N6—C61—C66	−149.7 (4)
O1—Ru2—N6—C50	92.4 (3)	Ru2—N6—C61—C66	29.1 (5)
Ru1—Ru2—N6—C50	2.2 (3)	C66—C61—C62—C63	0.6 (7)
N4—Ru2—N6—C61	94.6 (3)	N6—C61—C62—C63	177.2 (4)
O1—Ru2—N6—C61	−86.4 (3)	C61—C62—C63—C64	−2.0 (8)
Ru1—Ru2—N6—C61	−176.6 (3)	C62—C63—C64—C65	2.9 (8)
C11—N1—C10—N2	176.9 (4)	C63—C64—C65—C66	−2.3 (9)
Ru1—N1—C10—N2	−1.3 (6)	C64—C65—C66—C61	0.9 (9)
C21—N2—C10—N1	−177.9 (4)	C62—C61—C66—C65	0.0 (8)
Ru2—N2—C10—N1	0.3 (6)	N6—C61—C66—C65	−176.9 (5)
C10—N1—C11—C16	66.5 (7)	Ru2—O1—C70—O2	−3.2 (6)
Ru1—N1—C11—C16	−115.4 (6)	Ru2—O1—C70—C9	179.3 (3)
C10—N1—C11—C12	−113.9 (5)	Ru1—O2—C70—O1	1.7 (6)
Ru1—N1—C11—C12	64.2 (5)	Ru1—O2—C70—C9	179.1 (4)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C52—H52A···F1	0.94	2.69	3.482 (8)	142
C53—H53A···F1^i	0.94	2.76	3.435 (8)	130
C62—H62A···F2^iii	0.94	2.81	3.441 (7)	126
C16—H16A···F3	0.94	2.47	3.339 (8)	154
C26—H26A···F3	0.94	2.49	3.368 (8)	156
C26—H26A···F4^ii	0.94	2.39	3.178 (7)	141
C46—H46A···F4	0.94	2.61	3.312 (8)	132
C1S—H11S···F4^iv	0.98	2.59	3.50 (3)	153

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