Structure and catalytic activity of the ruthenium(I) sawhorse-type complex [Ru₂{μ,η²-CF₃(CF₂)₅COO}₂(DMSO)₂(CO)₄]

The title compound, cis-di-μ-perfluoro­heptan­oato-κ⁴O:O′-bis[dicarbonyl(dimethyl sulfoxide-κS)ruthenium(I)](Ru—Ru), [Ru₂(C₇F₁₃O₂)₂(C₂H₆OS)₂(CO)₄], is a sawhorse-type di­nuclear ruthenium complex with two bridging perfluoro­heptan­oate ligands, and with two dimethyl sulfoxide (DMSO) ligands in the axial positions coordinating via the S atoms. It is a new example of a compound with an aliphatic fluorinated carboxyl­ate ligand. The Ru—Ru bond distance of 2.6908 (3) Å indicates a direct Ru—Ru inter­action. The com­pound is an active catalyst in transvinyl­ation of propionic acid with vinyl acetate.

S1. Introduction

Ruthenium(I) sawhorse-type complexes of the general composition [Ru₂(µ,η²-RCOO)₂L₂(CO)₄] (RCOO^- is a carboxyl­ate ligand and L is a donor ligand) have been known since the 1960s (Crooks et al., 1969). Established applications of these compounds include catalysis of alkene isomerization (Salvini et al., 2000) and hydrogenation reactions (Johnpeter et al., 2013; Salvini et al., 2003, 2005), as well as the synthesis of molecular cages and macrocycles (Shiu et al., 2002; Süss-Fink et al., 1990; Auzias et al., 2007). In addition, carboxyl­ate-bridged Ru₂(CO)₄ complexes derived from biologically active acids have been employed in cytotoxicity studies (Auzias et al., 2006, 2009). The common synthetic route to complexes of this type entails refluxing Ru₃(CO)₁₂ with the respective carb­oxy­lic acid to form polymeric [Ru(CO)₂(RCOO)]_n, which may be broken down to the typical dimeric structure upon addition of a donor ligand such as tetra­hydro­furan (THF), phosphines, carb­oxy­lic acids etc. (Crooks et al., 1969; Auzias et al., 2009; Therrien & Süss-Fink, 2009). The title compound [Ru₂{µ,η²-CF₃(CF₂)₅COO}₂(DMSO)₂(CO)₄], (I), was synthesized according to this route in 80% yield.

S2. Experimental

S2.1. Synthesis and crystallization

Ru₃(CO)₁₂ (50 mg, 0.08 mmol, 0.33 equivalents) and perfluoro­heptanoic acid (171 mg, 0.24 mmol, 1.0 equivalent) were dissolved in toluene (2 ml) and stirred for 12 h at 373 K in a Schlenk tube. The red solution was concentrated in vacuo to give a dark-red oil. Di­methyl sulfoxide (DMSO) (2.5 ml) was added and the resulting yellow precipitate was separated from excess DMSO, washed with pentane (3 × 3 ml) and dried in vacuo to yield 114 mg (80%) of (I). Recrystallization from hot nitro­methane and storage at 277 K for several weeks yielded crystals suitable for single-crystal X-ray diffraction. A selected crystal was fixed on the top of a glass fibre using perfluorinated ether and transferred to the diffractometer.

S2.2. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 1. H atoms could not be located in difference Fourier maps and were calculated in ideal positions (riding model), with C—H = 0.98 Å and U_iso(H) = 1.5U_eq(C) for methyl groups. Split-layer position refinement was used for fluorinated atoms C5 and C6 and the corresponding F atoms, and for atoms F11, F12 and F13 connected to C7. Restraints were applied to the C4—C5, C4—C5A, C5—C6, C5A—C6A, C6—C7 and C6A—C7 bonds to ensure similar bond lengths within the disordered part of the fluorinated side chain.

S3. Comment

In the title binuclear sawhorse-type complex, (I) (Scheme 1 and Fig. 1), both Ru^I centres are coordinated in a distorted o­cta­hedral geometry and the axial positions along the Ru—Ru axis are occupied by two di­methyl sulfoxide (DMSO) molecules coordinating via the S atoms. The DMSO ligands are tilted towards one another and oriented away from the carbonyl groups, with Ru2—Ru1—S1 and Ru1—Ru2—S2 bond angles well below 180° at 165.14 (2) and 164.70 (2)°, respectively, resulting in a bent geometry of the central part of the complex. This was also observed for the only other carboxyl­ate-bridged Ru—Ru dinuclear complex with DMSO in the axial position (Ziriakus et al., 2013) and for structurally similar complexes with axial N-donor ligands (Dorta et al., 2004; Kepert et al., 2000, 2003). The Ru—Ru bond distance is 2.6908 (3) Å, supporting both a direct Ru—Ru inter­action and the formal oxidation state +I for both Ru atoms. The perfluoro­heptanoate ligands are slightly twisted with respect to the Ru—Ru axis (by approximately 15°), which is illustrated by the O1—Ru1—Ru2—O2 and O3—Ru1—Ru2—O4 torsion angles (see Table 2). The O1—Ru1—O3 and O2—Ru2—O4 bond angles of 81.59 (6) and 81.57 (7)°, respectively, highlight the contorted distribution of the ligands around the Ru centres, with both carboxyl­ate ligands in close proximity to one another. This is also reflected in the O2—Ru2—C18 [97.20 (10)°] and O3—Ru1—C15 [96.76 (10)°] bond angles, which are well above the ideal value of 90°.

A view of the three-dimensional packing of the unit cell is given in Fig. 2. In a multilamellar assembly of bilayers, the fluorinated aliphatic chains form lipophilic layers inter­sected by more hydro­philic sheets of the central Ru₂(DMSO)₂(CO)₄ scaffolds. These planar structures are oriented parallel to the ab plane. Single molecules are connected via the terminal DMSO ligands, which show weak inter­action with the CH₃, CF₂ and CO groups of neighbouring molecules to form an alternating chain structure.

A recent study from our group reports on the relevance of ruthenium carbonyl carboxyl­ates for transvinyl­ation (Ziriakus et al., 2013). Even though dinuclear sawhorse-type Ru complexes were found to exhibit mediocre activity compared with mononuclear compounds, a change in activity due to the electronic effect of the fluorination of the bridging carboxyl­ate ligands may be anti­cipated. Thus, complex (I) was tested for activity in transvinyl­ation catalysis and compared with the previously reported activities of other ruthenium carbonyl carboxyl­ates from Ziriakus et al. (2013). For the sake of comparison, the same conditions were applied; 0.3 mol% of (I) was used in a model catalytic system, with propionic acid and vinyl acetate as model substrates (Scheme 2). The results of the catalytic investigation of (I) are depicted in Fig. 3.

It is evident that (I) exhibits a slightly higher activity (TOF = 36.3 h^-1 and TON_4h = 113) in transvinyl­ation catalysis compared with the structurally analogous complex (III) (TOF = 29.1 h^-1 and TON_4h = 70.9), indicating a beneficial effect of bridging perfluoro­heptanoate over bridging propionate ligands. The activity of (I) is similar to that of (IV) (TOF = 38.5 h^-1 and TON_4h = 105), but lower than that of (II) (TOF = 153 h^-1 and TON_4h = 205), which is the most active transvinyl­ation catalyst to date in this model system (see Ziriakus et al., 2013).

Related literature

For related literature, see: Auzias et al. (2006, 2007, 2009); Crooks et al. (1969); Dorta et al. (2004); Johnpeter et al. (2013); Kepert et al. (2000, 2003); Süss-Fink, Neumann, Frank & Stoeckli-Evans (1990); Salvini et al. (2000, 2003, 2005); Shiu et al. (2002); Ziriakus et al. (2013).

Computing details

Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008) and SHELXLE (Hübschle et al., 2011); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: PLATON (Spek, 2009) and enCIFer (Allen et al., 2004).

Figures

	Fig. 1. A perspective view of (I), showing the atom-numbering scheme. H atoms have been omitted for clarity. Displacement ellipsoids are drawn at the 50% probability level.
	Fig. 2. The crystal packing of (I), highlighting the layered arrangement in the crystal structure. The view is along the a axis.
	Fig. 3. The catalytic activity of (I) compared with the recently investigated complexes (II), (III) and (IV) (see Ziriakus et al., 2013).

Di-µ-perfluoroheptanoato-κ⁴O:O'-bis[dicarbonyl(dimethyl sulfoxide-κS)ruthenium(I)](Ru–Ru)

Crystal data

[Ru2(C7F13O2)2(C2H6OS)2(CO)4]	Z = 4
Mr = 1196.60	F(000) = 2312
Triclinic, P1	Dx = 2.194 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.3430 (5) Å	Cell parameters from 9908 reflections
b = 14.1199 (8) Å	θ = 2.4–25.4°
c = 25.3010 (13) Å	µ = 1.13 mm^−1
α = 101.243 (3)°	T = 123 K
β = 90.478 (2)°	Plate, yellow
γ = 90.830 (2)°	0.34 × 0.29 × 0.09 mm
V = 3623.5 (3) Å^3

Data collection

Bruker APEXII CCD area-detector diffractometer	13225 independent reflections
Radiation source: rotating anode FR591	11061 reflections with I > 2σ(I)
MONTEL optic monochromator	Rint = 0.038
Detector resolution: 16 pixels mm^-1	θmax = 25.5°, θmin = 0.8°
ϕ and ω rotation scans	h = −12→12
Absorption correction: multi-scan (SADABS; Bruker, 2008)	k = −17→17
Tmin = 0.703, Tmax = 0.901	l = −30→30
86914 measured reflections

Refinement

Refinement on F^2	24 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.026	H-atom parameters constrained
wR(F^2) = 0.053	W = 1/[Σ^2(FO^2) + (0.017P)^2 + 4.1637P] WHERE P = (FO^2 + 2FC^2)/3
S = 1.04	(Δ/σ)max = 0.003
13225 reflections	Δρmax = 0.73 e Å^−3
1225 parameters	Δρmin = −0.48 e Å^−3

Special details

Experimental. Diffractometer operator: S. Haslinger; scanspeed: 10 s per frame; dx: 50 mm; 4781 frames measured in 13 data sets; phi-scans with delta_phi = 0.5; omega-scans with delta_omega = 0.5

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F² for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > 2sigma(F²) is used only for calculating -R-factor-obs 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	0.60216 (2)	0.58258 (2)	0.12074 (2)	0.0127 (1)
Ru2	0.64672 (2)	0.39401 (2)	0.11657 (2)	0.0122 (1)
S1	0.56564 (6)	0.75348 (5)	0.14932 (3)	0.0179 (2)
S2	0.68802 (6)	0.23862 (4)	0.13857 (3)	0.0159 (2)
F1	0.26700 (14)	0.50776 (12)	0.24491 (6)	0.0297 (5)
F5_a	0.2817 (5)	0.5917 (4)	0.3605 (3)	0.0310 (14)	0.628 (8)
F2	0.41797 (16)	0.43090 (11)	0.27899 (6)	0.0278 (5)
F6_a	0.4706 (6)	0.5327 (3)	0.3734 (5)	0.0292 (16)	0.628 (8)
F3	0.37259 (15)	0.67473 (10)	0.27848 (6)	0.0267 (5)
F7_a	0.4076 (5)	0.6868 (2)	0.44466 (13)	0.0322 (13)	0.628 (8)
F4	0.56105 (14)	0.61608 (11)	0.29221 (6)	0.0248 (5)
F8_a	0.5782 (4)	0.7042 (3)	0.39778 (19)	0.0319 (15)	0.628 (8)
F9_a	0.4685 (15)	0.8273 (10)	0.3489 (8)	0.038 (3)	0.628 (8)
F10_a	0.2751 (5)	0.7906 (4)	0.37161 (18)	0.0407 (16)	0.628 (8)
F11_a	0.3258 (6)	0.8671 (5)	0.4740 (3)	0.062 (2)	0.628 (8)
F12_a	0.5273 (4)	0.8850 (3)	0.45917 (15)	0.0478 (14)	0.628 (8)
F13_a	0.3831 (7)	0.9637 (3)	0.42456 (19)	0.068 (2)	0.628 (8)
F14	1.00533 (14)	0.54337 (11)	0.23500 (6)	0.0226 (5)
F15	0.86255 (15)	0.64368 (10)	0.27606 (6)	0.0234 (5)
F16	0.72683 (14)	0.46325 (11)	0.29010 (6)	0.0225 (5)
F17	0.91623 (15)	0.39990 (10)	0.27240 (6)	0.0242 (5)
F18	0.81325 (16)	0.58954 (11)	0.37173 (6)	0.0293 (6)
F19	1.01409 (16)	0.56885 (13)	0.34746 (7)	0.0352 (6)
F20	1.02140 (16)	0.39698 (14)	0.37010 (7)	0.0417 (7)
F21	0.94700 (18)	0.50438 (13)	0.43611 (7)	0.0404 (7)
F22	0.69452 (16)	0.43283 (12)	0.39924 (7)	0.0328 (6)
F23	0.79316 (18)	0.31420 (12)	0.34837 (6)	0.0363 (6)
F24	0.8010 (2)	0.39196 (13)	0.48775 (7)	0.0501 (7)
F25	0.7261 (2)	0.26216 (13)	0.43748 (8)	0.0511 (8)
F26	0.9311 (2)	0.29041 (14)	0.44228 (8)	0.0516 (8)
O1	0.45599 (16)	0.56635 (12)	0.17825 (7)	0.0161 (6)
O2	0.53618 (16)	0.42348 (12)	0.18871 (7)	0.0145 (5)
O3	0.72314 (16)	0.59471 (12)	0.19014 (7)	0.0149 (5)
O4	0.80192 (16)	0.44397 (12)	0.17269 (7)	0.0163 (6)
O5	0.81244 (19)	0.59689 (14)	0.04123 (8)	0.0295 (7)
O6	0.82802 (19)	0.36050 (14)	0.02313 (8)	0.0269 (7)
O7	0.40063 (18)	0.55926 (14)	0.03337 (7)	0.0243 (7)
O8	0.42844 (18)	0.33223 (14)	0.03798 (8)	0.0267 (7)
O9	0.43004 (17)	0.78509 (13)	0.15173 (8)	0.0272 (7)
O10	0.82475 (17)	0.20993 (13)	0.14008 (8)	0.0252 (6)
C1	0.4699 (2)	0.49679 (18)	0.20175 (10)	0.0143 (8)
C5_a	0.4482 (5)	0.7009 (3)	0.39626 (17)	0.0200 (17)	0.628 (8)
C2	0.3955 (2)	0.50655 (17)	0.25538 (11)	0.0184 (8)
C6_a	0.3983 (8)	0.8003 (6)	0.3881 (3)	0.031 (3)	0.628 (8)
C3	0.4322 (2)	0.60135 (19)	0.29515 (11)	0.0180 (8)
C4	0.3989 (3)	0.6056 (2)	0.35480 (12)	0.0258 (10)
C7	0.4160 (4)	0.8799 (2)	0.43693 (14)	0.0427 (14)
C8	0.7929 (2)	0.52813 (18)	0.19907 (10)	0.0143 (8)
C9	0.8796 (2)	0.55198 (18)	0.25015 (11)	0.0169 (8)
C10	0.8550 (2)	0.48343 (18)	0.29027 (10)	0.0168 (8)
C11	0.8985 (3)	0.5238 (2)	0.34888 (11)	0.0215 (9)
C12	0.9181 (3)	0.4503 (2)	0.38693 (11)	0.0269 (10)
C13	0.8044 (3)	0.3824 (2)	0.39324 (12)	0.0266 (10)
C14	0.8165 (4)	0.3308 (2)	0.44152 (13)	0.0379 (11)
C15	0.7335 (3)	0.59113 (19)	0.07179 (11)	0.0192 (9)
C16	0.7565 (3)	0.37436 (18)	0.05813 (11)	0.0174 (9)
C17	0.4810 (3)	0.56787 (18)	0.06541 (11)	0.0170 (8)
C18	0.5095 (3)	0.35627 (18)	0.06906 (11)	0.0167 (8)
C19	0.6536 (3)	0.8229 (2)	0.11006 (15)	0.0439 (13)
C20	0.6392 (3)	0.7975 (2)	0.21298 (13)	0.0350 (11)
C21	0.6001 (3)	0.14406 (19)	0.09581 (13)	0.0330 (10)
C22	0.6163 (3)	0.2312 (2)	0.20082 (12)	0.0308 (11)
F8A_b	0.2484 (7)	0.7408 (7)	0.3679 (3)	0.038 (3)	0.372 (8)
F9A_b	0.5670 (7)	0.7473 (7)	0.4160 (4)	0.042 (3)	0.372 (8)
F10A_b	0.491 (2)	0.8055 (16)	0.3492 (12)	0.038 (5)	0.372 (8)
F11A_b	0.3899 (13)	0.8625 (8)	0.4838 (4)	0.063 (4)	0.372 (8)
F12A_b	0.5264 (7)	0.9367 (7)	0.4407 (4)	0.074 (3)	0.372 (8)
F13A_b	0.3320 (9)	0.9220 (7)	0.4152 (4)	0.066 (3)	0.372 (8)
C5A_b	0.3558 (11)	0.7065 (4)	0.3890 (3)	0.033 (4)	0.372 (8)
C6A_b	0.4572 (14)	0.7817 (9)	0.3953 (5)	0.034 (4)	0.372 (8)
F7A_b	0.3263 (10)	0.6867 (5)	0.4374 (3)	0.046 (3)	0.372 (8)
F5A_b	0.2711 (8)	0.5523 (6)	0.3523 (5)	0.030 (3)	0.372 (8)
F6A_b	0.4748 (8)	0.5635 (6)	0.3763 (8)	0.025 (3)	0.372 (8)
Ru3	1.14814 (2)	0.07387 (2)	0.11504 (2)	0.0118 (1)
Ru4	1.11084 (2)	−0.11282 (2)	0.12081 (2)	0.0123 (1)
S3	1.18730 (6)	0.24686 (4)	0.13675 (3)	0.0148 (2)
S4	1.07349 (6)	−0.26119 (4)	0.15343 (3)	0.0155 (2)
F27	0.76121 (14)	0.04046 (11)	0.23580 (6)	0.0259 (5)
F28	0.90667 (15)	0.14613 (10)	0.27437 (6)	0.0269 (5)
F29	0.86243 (15)	−0.09899 (10)	0.27480 (6)	0.0234 (5)
F30	1.04475 (14)	−0.02140 (11)	0.29587 (6)	0.0231 (5)
F31	0.94656 (19)	0.09898 (12)	0.37466 (7)	0.0395 (6)
F32	0.74883 (17)	0.06624 (13)	0.34568 (7)	0.0420 (7)
F33	0.74842 (17)	−0.10568 (14)	0.36849 (7)	0.0421 (7)
F34	0.8105 (2)	0.00699 (14)	0.43595 (7)	0.0483 (7)
F35	0.98641 (18)	−0.17171 (13)	0.35359 (7)	0.0398 (7)
F36	1.06813 (18)	−0.04878 (14)	0.40987 (7)	0.0449 (7)
F37	1.0422 (2)	−0.22266 (18)	0.44463 (9)	0.0710 (10)
F38	0.8373 (2)	−0.21276 (14)	0.43900 (8)	0.0560 (8)
F39	0.9453 (2)	−0.10335 (15)	0.49203 (7)	0.0633 (9)
F40	1.34747 (15)	−0.03819 (10)	0.28313 (6)	0.0234 (5)
F41	1.49772 (14)	0.03320 (10)	0.24442 (6)	0.0234 (5)
F42	1.38693 (15)	0.20034 (10)	0.26741 (6)	0.0221 (5)
F43	1.19998 (14)	0.13640 (10)	0.28134 (6)	0.0219 (5)
F44	1.27356 (16)	0.09557 (11)	0.37188 (6)	0.0294 (6)
F45	1.47816 (15)	0.11555 (11)	0.35620 (6)	0.0308 (6)
F46	1.25369 (16)	0.29611 (11)	0.35424 (6)	0.0285 (5)
F47	1.46200 (16)	0.30010 (11)	0.36740 (6)	0.0313 (6)
F48	1.20619 (18)	0.24864 (13)	0.44652 (7)	0.0411 (7)
F49	1.40812 (19)	0.21463 (13)	0.45933 (7)	0.0429 (7)
F50	1.3125 (2)	0.38584 (13)	0.51804 (7)	0.0486 (7)
F51	1.2894 (2)	0.43735 (13)	0.44387 (7)	0.0545 (8)
F52	1.4769 (2)	0.40003 (15)	0.46927 (8)	0.0601 (8)
O11	1.03706 (16)	0.09262 (12)	0.18707 (7)	0.0141 (5)
O12	0.96046 (16)	−0.06006 (12)	0.17643 (7)	0.0164 (6)
O13	1.30604 (16)	0.06924 (12)	0.17059 (7)	0.0159 (6)
O14	1.22650 (16)	−0.06841 (11)	0.19155 (7)	0.0139 (5)
O15	1.31790 (18)	0.04632 (14)	0.01768 (8)	0.0264 (7)
O16	1.32611 (19)	−0.17312 (14)	0.04322 (8)	0.0284 (7)
O17	0.91459 (18)	0.06657 (13)	0.04345 (7)	0.0229 (6)
O18	0.92277 (19)	−0.16774 (14)	0.02908 (8)	0.0284 (7)
O19	1.32438 (17)	0.27913 (13)	0.14241 (7)	0.0229 (6)
O20	0.93693 (17)	−0.29231 (13)	0.15567 (8)	0.0246 (6)
C23	0.9700 (2)	0.02632 (18)	0.19955 (10)	0.0141 (8)
C24	0.8880 (2)	0.05284 (18)	0.25063 (11)	0.0183 (8)
C25	0.9155 (2)	−0.01085 (18)	0.29277 (11)	0.0183 (8)
C26	0.8659 (3)	0.0282 (2)	0.35017 (11)	0.0269 (10)
C27	0.8467 (3)	−0.0454 (2)	0.38809 (12)	0.0316 (11)
C28	0.9631 (3)	−0.1064 (2)	0.39848 (12)	0.0333 (11)
C29	0.9457 (4)	−0.1618 (3)	0.44528 (13)	0.0423 (14)
C30	1.2936 (2)	0.00720 (18)	0.19966 (10)	0.0139 (8)
C31	1.3693 (2)	0.03029 (18)	0.25378 (11)	0.0168 (8)
C32	1.3290 (2)	0.12926 (18)	0.28744 (11)	0.0169 (8)
C33	1.3587 (3)	0.14722 (19)	0.34863 (11)	0.0203 (9)
C34	1.3511 (3)	0.25529 (19)	0.37658 (11)	0.0214 (9)
C35	1.3293 (3)	0.2719 (2)	0.43778 (12)	0.0268 (10)
C36	1.3533 (3)	0.3766 (2)	0.46768 (12)	0.0363 (11)
C37	1.2519 (3)	0.05578 (18)	0.05464 (11)	0.0161 (8)
C38	1.2454 (3)	−0.15058 (18)	0.07394 (11)	0.0178 (8)
C39	1.0037 (3)	0.07068 (17)	0.07090 (10)	0.0152 (8)
C40	0.9971 (3)	−0.14638 (18)	0.06355 (11)	0.0165 (8)
C41	1.1103 (3)	0.30870 (19)	0.09078 (12)	0.0276 (10)
C42	1.1055 (3)	0.29945 (19)	0.19636 (11)	0.0228 (9)
C43	1.1620 (3)	−0.35975 (19)	0.11754 (12)	0.0298 (10)
C44	1.1455 (3)	−0.2523 (2)	0.21816 (11)	0.0242 (9)
H21C	0.63020	0.13830	0.05870	0.0490*
H22A	0.52420	0.24620	0.19950	0.0460*
H22B	0.65900	0.27760	0.22980	0.0460*
H22C	0.62580	0.16570	0.20780	0.0460*
H19A	0.62440	0.80570	0.07240	0.0660*
H19B	0.74610	0.80970	0.11230	0.0660*
H19C	0.63910	0.89170	0.12380	0.0660*
H20A	0.73130	0.78200	0.21140	0.0530*
H20B	0.59740	0.76730	0.24030	0.0530*
H20C	0.62960	0.86770	0.22250	0.0530*
H21A	0.50770	0.15870	0.09730	0.0490*
H21B	0.61400	0.08310	0.10790	0.0490*
H41A	1.14840	0.28930	0.05500	0.0410*
H41B	1.12220	0.37850	0.10320	0.0410*
H41C	1.01770	0.29240	0.08870	0.0410*
H42A	1.11850	0.36970	0.20330	0.0340*
H42B	1.13990	0.27380	0.22680	0.0340*
H42C	1.01290	0.28400	0.19200	0.0340*
H43A	1.13340	−0.37380	0.07980	0.0450*
H43B	1.14700	−0.41670	0.13350	0.0450*
H43C	1.25450	−0.34310	0.11950	0.0450*
H44A	1.13460	−0.31390	0.23000	0.0360*
H44B	1.10370	−0.20110	0.24380	0.0360*
H44C	1.23780	−0.23690	0.21640	0.0360*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ru1	0.0117 (1)	0.0127 (1)	0.0144 (1)	0.0005 (1)	0.0000 (1)	0.0040 (1)
Ru2	0.0115 (1)	0.0118 (1)	0.0128 (1)	0.0002 (1)	0.0001 (1)	0.0015 (1)
S1	0.0139 (3)	0.0144 (3)	0.0261 (4)	0.0011 (3)	0.0005 (3)	0.0060 (3)
S2	0.0137 (3)	0.0133 (3)	0.0205 (4)	0.0020 (3)	0.0009 (3)	0.0024 (3)
F1	0.0111 (8)	0.0432 (10)	0.0322 (10)	−0.0047 (7)	0.0031 (7)	0.0015 (8)
F5_a	0.024 (2)	0.039 (3)	0.026 (2)	−0.015 (2)	0.0083 (15)	−0.003 (3)
F2	0.0433 (11)	0.0189 (8)	0.0235 (9)	0.0016 (7)	0.0120 (8)	0.0090 (7)
F6_a	0.053 (3)	0.011 (3)	0.027 (2)	0.0065 (19)	−0.0040 (17)	0.012 (3)
F3	0.0368 (10)	0.0208 (9)	0.0235 (9)	0.0124 (7)	0.0022 (7)	0.0062 (7)
F7_a	0.047 (3)	0.0326 (17)	0.0168 (17)	0.0021 (18)	0.0019 (17)	0.0045 (12)
F4	0.0197 (9)	0.0295 (9)	0.0245 (9)	−0.0054 (7)	−0.0006 (7)	0.0037 (7)
F8_a	0.0236 (19)	0.032 (3)	0.035 (3)	0.0061 (17)	−0.0066 (16)	−0.0062 (17)
F9_a	0.066 (6)	0.027 (4)	0.022 (3)	−0.002 (3)	−0.003 (3)	0.010 (3)
F10_a	0.035 (3)	0.043 (3)	0.038 (2)	0.023 (2)	−0.0100 (17)	−0.008 (2)
F11_a	0.089 (5)	0.054 (3)	0.036 (3)	0.032 (3)	0.010 (3)	−0.008 (2)
F12_a	0.076 (3)	0.032 (2)	0.032 (2)	−0.001 (2)	−0.0192 (19)	−0.0013 (17)
F13_a	0.136 (6)	0.023 (3)	0.042 (2)	0.023 (3)	−0.025 (3)	−0.001 (2)
F14	0.0122 (8)	0.0288 (9)	0.0279 (9)	−0.0025 (6)	−0.0020 (7)	0.0083 (7)
F15	0.0280 (9)	0.0147 (8)	0.0249 (9)	0.0005 (6)	−0.0072 (7)	−0.0021 (7)
F16	0.0157 (8)	0.0290 (9)	0.0229 (9)	−0.0032 (7)	−0.0015 (6)	0.0056 (7)
F17	0.0317 (10)	0.0198 (8)	0.0215 (9)	0.0108 (7)	0.0060 (7)	0.0041 (7)
F18	0.0416 (11)	0.0200 (9)	0.0235 (9)	0.0059 (7)	0.0012 (8)	−0.0032 (7)
F19	0.0251 (10)	0.0494 (11)	0.0314 (10)	−0.0156 (8)	−0.0119 (8)	0.0100 (8)
F20	0.0273 (10)	0.0627 (13)	0.0407 (11)	0.0221 (9)	0.0023 (8)	0.0225 (10)
F21	0.0462 (12)	0.0522 (12)	0.0224 (10)	−0.0081 (9)	−0.0136 (8)	0.0075 (9)
F22	0.0271 (10)	0.0330 (10)	0.0401 (11)	0.0065 (8)	0.0068 (8)	0.0110 (8)
F23	0.0580 (13)	0.0266 (9)	0.0224 (10)	−0.0003 (8)	0.0026 (8)	0.0000 (8)
F24	0.0884 (16)	0.0392 (11)	0.0228 (11)	0.0087 (10)	0.0123 (10)	0.0050 (9)
F25	0.0771 (16)	0.0371 (11)	0.0430 (12)	−0.0063 (11)	0.0095 (11)	0.0173 (9)
F26	0.0668 (15)	0.0494 (12)	0.0444 (12)	0.0251 (11)	0.0024 (10)	0.0217 (10)
O1	0.0143 (10)	0.0163 (10)	0.0186 (10)	0.0017 (7)	0.0017 (7)	0.0057 (8)
O2	0.0129 (9)	0.0143 (9)	0.0158 (10)	0.0000 (7)	0.0015 (7)	0.0017 (7)
O3	0.0136 (9)	0.0136 (9)	0.0175 (10)	0.0005 (7)	−0.0009 (7)	0.0032 (7)
O4	0.0170 (10)	0.0124 (9)	0.0181 (10)	0.0014 (7)	−0.0012 (8)	−0.0002 (8)
O5	0.0245 (12)	0.0362 (12)	0.0295 (12)	−0.0016 (9)	0.0101 (10)	0.0104 (10)
O6	0.0227 (11)	0.0376 (12)	0.0205 (11)	0.0052 (9)	0.0061 (9)	0.0056 (9)
O7	0.0206 (11)	0.0333 (12)	0.0183 (11)	0.0070 (9)	−0.0027 (9)	0.0029 (9)
O8	0.0204 (11)	0.0354 (12)	0.0246 (12)	−0.0072 (9)	−0.0066 (9)	0.0078 (9)
O9	0.0166 (10)	0.0228 (11)	0.0417 (13)	0.0057 (8)	−0.0010 (9)	0.0050 (9)
O10	0.0158 (10)	0.0226 (10)	0.0363 (12)	0.0048 (8)	0.0006 (9)	0.0032 (9)
C1	0.0075 (13)	0.0171 (14)	0.0171 (15)	−0.0042 (11)	−0.0019 (10)	0.0008 (11)
C5_a	0.016 (3)	0.031 (3)	0.014 (3)	0.005 (2)	0.005 (2)	0.006 (2)
C2	0.0154 (14)	0.0179 (14)	0.0229 (16)	0.0013 (11)	0.0036 (11)	0.0064 (12)
C6_a	0.038 (5)	0.023 (4)	0.032 (4)	0.014 (3)	0.005 (4)	0.007 (3)
C3	0.0164 (15)	0.0191 (14)	0.0189 (15)	0.0046 (11)	0.0022 (11)	0.0044 (12)
C4	0.032 (2)	0.0235 (16)	0.0233 (17)	0.0035 (14)	0.0083 (14)	0.0078 (13)
C7	0.061 (3)	0.032 (2)	0.033 (2)	0.0103 (18)	−0.007 (2)	0.0011 (16)
C8	0.0089 (13)	0.0196 (15)	0.0153 (15)	−0.0021 (11)	0.0045 (10)	0.0058 (12)
C9	0.0127 (14)	0.0149 (14)	0.0218 (15)	0.0015 (10)	−0.0016 (11)	0.0002 (11)
C10	0.0129 (14)	0.0163 (14)	0.0206 (15)	0.0036 (11)	0.0002 (11)	0.0019 (11)
C11	0.0147 (15)	0.0259 (16)	0.0226 (16)	0.0029 (12)	−0.0017 (12)	0.0012 (12)
C12	0.0250 (17)	0.0363 (18)	0.0187 (17)	0.0087 (13)	−0.0043 (13)	0.0031 (14)
C13	0.0348 (18)	0.0224 (16)	0.0220 (17)	0.0070 (13)	0.0011 (13)	0.0027 (13)
C14	0.056 (2)	0.0303 (19)	0.027 (2)	0.0086 (17)	0.0054 (16)	0.0041 (15)
C15	0.0193 (15)	0.0176 (14)	0.0209 (16)	0.0005 (11)	−0.0047 (13)	0.0043 (12)
C16	0.0166 (15)	0.0149 (14)	0.0204 (16)	0.0007 (11)	−0.0057 (12)	0.0032 (12)
C17	0.0172 (15)	0.0183 (14)	0.0159 (15)	0.0048 (11)	0.0051 (12)	0.0041 (11)
C18	0.0175 (15)	0.0161 (14)	0.0169 (15)	−0.0001 (11)	0.0036 (12)	0.0040 (11)
C19	0.046 (2)	0.0220 (17)	0.069 (3)	0.0037 (15)	0.0260 (18)	0.0206 (17)
C20	0.0377 (19)	0.0177 (16)	0.045 (2)	0.0035 (13)	−0.0173 (16)	−0.0048 (14)
C21	0.0300 (18)	0.0144 (15)	0.052 (2)	−0.0036 (13)	−0.0126 (15)	0.0013 (14)
C22	0.0357 (19)	0.0280 (17)	0.0344 (19)	0.0136 (14)	0.0147 (14)	0.0183 (14)
F8A_b	0.025 (4)	0.042 (5)	0.041 (4)	0.014 (3)	0.003 (3)	−0.008 (4)
F9A_b	0.024 (3)	0.048 (5)	0.049 (5)	0.007 (3)	−0.005 (3)	−0.002 (4)
F10A_b	0.039 (7)	0.046 (11)	0.027 (6)	−0.019 (7)	0.010 (5)	0.000 (7)
F11A_b	0.123 (11)	0.043 (4)	0.023 (5)	0.021 (7)	0.011 (6)	0.003 (3)
F12A_b	0.057 (5)	0.059 (6)	0.084 (6)	−0.020 (4)	0.023 (4)	−0.043 (5)
F13A_b	0.075 (6)	0.037 (5)	0.084 (6)	0.025 (4)	−0.019 (4)	0.003 (5)
C5A_b	0.036 (8)	0.040 (6)	0.021 (5)	0.007 (4)	0.010 (4)	0.003 (4)
C6A_b	0.047 (9)	0.025 (7)	0.029 (7)	0.007 (6)	0.017 (7)	0.001 (5)
F7A_b	0.065 (6)	0.052 (4)	0.018 (3)	−0.004 (4)	0.020 (4)	0.003 (3)
F5A_b	0.022 (3)	0.034 (5)	0.033 (5)	−0.014 (3)	0.009 (3)	0.004 (4)
F6A_b	0.041 (4)	0.014 (5)	0.026 (4)	0.008 (3)	0.001 (3)	0.015 (6)
Ru3	0.0113 (1)	0.0113 (1)	0.0126 (1)	0.0001 (1)	−0.0002 (1)	0.0016 (1)
Ru4	0.0124 (1)	0.0105 (1)	0.0131 (1)	−0.0003 (1)	0.0001 (1)	0.0003 (1)
S3	0.0136 (3)	0.0123 (3)	0.0181 (4)	−0.0004 (2)	0.0001 (3)	0.0023 (3)
S4	0.0143 (3)	0.0126 (3)	0.0192 (4)	−0.0011 (3)	0.0008 (3)	0.0023 (3)
F27	0.0119 (8)	0.0340 (9)	0.0343 (10)	0.0055 (7)	0.0049 (7)	0.0121 (8)
F28	0.0353 (10)	0.0144 (8)	0.0286 (10)	0.0029 (7)	0.0138 (7)	−0.0021 (7)
F29	0.0291 (9)	0.0180 (8)	0.0222 (9)	−0.0076 (7)	−0.0010 (7)	0.0023 (7)
F30	0.0166 (8)	0.0304 (9)	0.0225 (9)	0.0002 (7)	0.0014 (7)	0.0053 (7)
F31	0.0612 (13)	0.0273 (10)	0.0247 (10)	−0.0093 (9)	0.0052 (9)	−0.0077 (8)
F32	0.0376 (11)	0.0528 (12)	0.0377 (11)	0.0213 (9)	0.0206 (9)	0.0115 (9)
F33	0.0340 (11)	0.0575 (12)	0.0373 (11)	−0.0171 (9)	0.0037 (8)	0.0168 (9)
F34	0.0621 (14)	0.0553 (13)	0.0261 (11)	0.0059 (10)	0.0226 (9)	0.0030 (9)
F35	0.0558 (13)	0.0412 (11)	0.0230 (10)	0.0112 (9)	0.0057 (8)	0.0069 (8)
F36	0.0375 (11)	0.0566 (12)	0.0446 (12)	−0.0149 (9)	−0.0073 (9)	0.0209 (10)
F37	0.0862 (19)	0.0841 (17)	0.0560 (15)	0.0182 (14)	0.0058 (13)	0.0451 (13)
F38	0.0788 (16)	0.0475 (12)	0.0445 (13)	−0.0292 (11)	−0.0036 (11)	0.0185 (10)
F39	0.116 (2)	0.0506 (13)	0.0222 (11)	−0.0265 (13)	−0.0074 (11)	0.0068 (10)
F40	0.0353 (10)	0.0160 (8)	0.0203 (9)	−0.0023 (7)	−0.0091 (7)	0.0074 (7)
F41	0.0128 (8)	0.0247 (9)	0.0302 (9)	0.0031 (6)	−0.0037 (7)	−0.0010 (7)
F42	0.0295 (9)	0.0163 (8)	0.0202 (9)	−0.0045 (7)	0.0044 (7)	0.0032 (6)
F43	0.0145 (8)	0.0266 (9)	0.0224 (9)	0.0024 (6)	−0.0025 (6)	−0.0005 (7)
F44	0.0421 (11)	0.0258 (9)	0.0216 (9)	−0.0094 (8)	0.0019 (8)	0.0088 (7)
F45	0.0278 (10)	0.0328 (10)	0.0279 (10)	0.0113 (7)	−0.0119 (7)	−0.0038 (8)
F46	0.0345 (10)	0.0274 (9)	0.0229 (9)	0.0114 (7)	−0.0044 (7)	0.0025 (7)
F47	0.0316 (10)	0.0292 (9)	0.0290 (10)	−0.0119 (8)	0.0049 (8)	−0.0036 (7)
F48	0.0425 (12)	0.0474 (12)	0.0318 (11)	−0.0074 (9)	0.0136 (9)	0.0035 (9)
F49	0.0672 (14)	0.0367 (11)	0.0240 (10)	0.0147 (9)	−0.0127 (9)	0.0035 (8)
F50	0.0759 (15)	0.0440 (12)	0.0220 (11)	0.0100 (10)	0.0086 (10)	−0.0041 (9)
F51	0.0980 (18)	0.0309 (11)	0.0327 (11)	0.0181 (11)	0.0006 (11)	0.0005 (9)
F52	0.0569 (15)	0.0575 (14)	0.0507 (14)	−0.0202 (11)	0.0028 (11)	−0.0256 (10)
O11	0.0124 (9)	0.0147 (9)	0.0153 (10)	0.0023 (7)	0.0003 (7)	0.0034 (7)
O12	0.0142 (10)	0.0144 (10)	0.0192 (10)	−0.0005 (7)	0.0028 (8)	−0.0004 (8)
O13	0.0141 (10)	0.0162 (9)	0.0182 (10)	−0.0001 (7)	−0.0010 (7)	0.0051 (8)
O14	0.0138 (9)	0.0119 (9)	0.0153 (10)	0.0005 (7)	−0.0018 (7)	0.0008 (7)
O15	0.0221 (11)	0.0356 (12)	0.0198 (11)	−0.0009 (9)	0.0071 (9)	0.0011 (9)
O16	0.0245 (12)	0.0299 (12)	0.0289 (12)	0.0063 (9)	0.0111 (10)	0.0001 (9)
O17	0.0175 (11)	0.0276 (11)	0.0216 (11)	0.0026 (8)	−0.0036 (9)	−0.0004 (9)
O18	0.0298 (12)	0.0316 (12)	0.0230 (12)	−0.0077 (9)	−0.0071 (10)	0.0045 (9)
O19	0.0140 (10)	0.0225 (10)	0.0319 (12)	−0.0046 (8)	0.0000 (8)	0.0051 (9)
O20	0.0156 (10)	0.0245 (11)	0.0349 (12)	−0.0054 (8)	−0.0006 (8)	0.0096 (9)
C23	0.0103 (13)	0.0144 (14)	0.0176 (15)	0.0037 (10)	−0.0036 (11)	0.0033 (11)
C24	0.0143 (14)	0.0143 (14)	0.0252 (16)	0.0008 (11)	0.0036 (11)	0.0008 (12)
C25	0.0118 (14)	0.0181 (14)	0.0231 (16)	−0.0014 (11)	0.0018 (11)	−0.0009 (12)
C26	0.0290 (17)	0.0267 (16)	0.0230 (17)	0.0016 (13)	0.0090 (13)	−0.0005 (13)
C27	0.0347 (19)	0.0356 (18)	0.0225 (18)	−0.0053 (15)	0.0099 (14)	0.0005 (14)
C28	0.042 (2)	0.0347 (18)	0.0229 (18)	−0.0067 (15)	−0.0010 (14)	0.0057 (14)
C29	0.060 (3)	0.043 (2)	0.024 (2)	−0.0093 (19)	−0.0005 (17)	0.0075 (16)
C30	0.0097 (13)	0.0152 (14)	0.0157 (15)	0.0048 (10)	0.0022 (10)	−0.0001 (11)
C31	0.0125 (14)	0.0153 (14)	0.0234 (16)	−0.0010 (10)	−0.0022 (11)	0.0060 (12)
C32	0.0129 (14)	0.0167 (14)	0.0217 (16)	−0.0022 (11)	−0.0016 (11)	0.0058 (11)
C33	0.0185 (15)	0.0206 (15)	0.0225 (16)	−0.0002 (12)	−0.0026 (12)	0.0060 (12)
C34	0.0222 (16)	0.0211 (15)	0.0206 (16)	0.0001 (12)	−0.0006 (12)	0.0032 (12)
C35	0.0280 (18)	0.0299 (17)	0.0228 (17)	0.0030 (13)	0.0016 (13)	0.0060 (13)
C36	0.049 (2)	0.0351 (19)	0.0208 (19)	0.0044 (16)	0.0032 (15)	−0.0044 (15)
C37	0.0166 (15)	0.0121 (13)	0.0193 (16)	−0.0010 (11)	−0.0067 (12)	0.0026 (11)
C38	0.0206 (15)	0.0126 (13)	0.0197 (16)	−0.0017 (11)	−0.0034 (12)	0.0020 (11)
C39	0.0163 (15)	0.0133 (13)	0.0151 (15)	0.0017 (11)	0.0036 (12)	0.0004 (11)
C40	0.0170 (14)	0.0151 (14)	0.0179 (16)	−0.0014 (11)	0.0035 (12)	0.0044 (11)
C41	0.0339 (18)	0.0175 (15)	0.0322 (18)	0.0000 (13)	−0.0136 (14)	0.0076 (13)
C42	0.0219 (16)	0.0167 (14)	0.0265 (17)	−0.0016 (11)	0.0066 (12)	−0.0039 (12)
C43	0.0351 (18)	0.0165 (15)	0.0370 (19)	0.0058 (13)	0.0130 (14)	0.0025 (13)
C44	0.0274 (17)	0.0212 (15)	0.0255 (17)	−0.0047 (12)	−0.0063 (13)	0.0087 (13)

Geometric parameters (Å, º)

Ru1—Ru2	2.6907 (4)	F39—C29	1.304 (4)
Ru1—S1	2.4164 (8)	F40—C31	1.347 (3)
Ru1—O1	2.1476 (17)	F41—C31	1.353 (3)
Ru1—O3	2.1256 (18)	F42—C32	1.345 (3)
Ru1—C15	1.864 (3)	F43—C32	1.350 (3)
Ru1—C17	1.850 (3)	F44—C33	1.346 (3)
Ru2—S2	2.4095 (7)	F45—C33	1.345 (3)
Ru2—O2	2.1364 (18)	F46—C34	1.342 (3)
Ru2—O4	2.1515 (17)	F47—C34	1.346 (3)
Ru2—C16	1.852 (3)	F48—C35	1.341 (4)
Ru2—C18	1.856 (3)	F49—C35	1.341 (4)
Ru3—O11	2.1370 (18)	F50—C36	1.328 (3)
Ru3—O13	2.1558 (17)	F51—C36	1.322 (4)
Ru3—C37	1.854 (3)	F52—C36	1.314 (4)
Ru3—C39	1.853 (3)	O1—C1	1.253 (3)
Ru3—S3	2.4242 (7)	O2—C1	1.242 (3)
Ru3—Ru4	2.6908 (4)	O3—C8	1.247 (3)
Ru4—O12	2.1484 (17)	O4—C8	1.250 (3)
Ru4—S4	2.4239 (7)	O5—C15	1.142 (4)
Ru4—C40	1.843 (3)	O6—C16	1.148 (4)
Ru4—O14	2.1290 (18)	O7—C17	1.145 (3)
Ru4—C38	1.852 (3)	O8—C18	1.146 (4)
S1—C19	1.773 (3)	O11—C23	1.248 (3)
S1—O9	1.4761 (19)	O12—C23	1.248 (3)
S1—C20	1.771 (3)	O13—C30	1.255 (3)
S2—O10	1.4789 (19)	O14—C30	1.247 (3)
S2—C21	1.779 (3)	O15—C37	1.150 (3)
S2—C22	1.767 (3)	O16—C38	1.151 (4)
S3—O19	1.4801 (19)	O17—C39	1.143 (3)
S3—C42	1.773 (3)	O18—C40	1.150 (4)
S3—C41	1.775 (3)	C1—C2	1.549 (4)
S4—O20	1.4780 (19)	C2—C3	1.550 (4)
S4—C43	1.777 (3)	C3—C4	1.541 (4)
S4—C44	1.775 (3)	C4—C5^i	1.610 (5)
F1—C2	1.354 (3)	C4—C5A^ii	1.588 (8)
F2—C2	1.344 (3)	C5^i—C6^i	1.553 (10)
F3—C3	1.348 (3)	C5A^ii—C6A^ii	1.467 (16)
F4—C3	1.351 (3)	C6^i—C7	1.507 (9)
F5^i—C4	1.239 (6)	C6A^ii—C7	1.634 (13)
F5A^ii—C4	1.506 (9)	C8—C9	1.546 (3)
F6^i—C4	1.427 (7)	C9—C10	1.553 (4)
F6A^ii—C4	1.182 (12)	C10—C11	1.542 (4)
F7^i—C5^i	1.348 (6)	C11—C12	1.561 (4)
F7A^ii—C5A^ii	1.345 (11)	C12—C13	1.536 (4)
F8^i—C5^i	1.345 (7)	C13—C14	1.545 (4)
F8A^ii—C5A^ii	1.364 (13)	C19—H19C	0.9800
F9^i—C6^i	1.345 (19)	C19—H19A	0.9800
F9A^ii—C6A^ii	1.380 (16)	C19—H19B	0.9800
F10^i—C6^i	1.334 (10)	C20—H20B	0.9800
F10A^ii—C6A^ii	1.32 (3)	C20—H20A	0.9800
F11^i—C7	1.363 (8)	C20—H20C	0.9800
F11A^ii—C7	1.287 (11)	C21—H21A	0.9800
F12^i—C7	1.272 (6)	C21—H21B	0.9800
F12A^ii—C7	1.378 (9)	C21—H21C	0.9800
F13^i—C7	1.330 (6)	C22—H22B	0.9800
F13A^ii—C7	1.243 (10)	C22—H22C	0.9800
F14—C9	1.359 (3)	C22—H22A	0.9800
F15—C9	1.347 (3)	C23—C24	1.539 (3)
F16—C10	1.352 (3)	C24—C25	1.550 (4)
F17—C10	1.347 (3)	C25—C26	1.544 (4)
F18—C11	1.340 (3)	C26—C27	1.558 (4)
F19—C11	1.350 (3)	C27—C28	1.541 (4)
F20—C12	1.340 (3)	C28—C29	1.552 (5)
F21—C12	1.356 (3)	C30—C31	1.548 (4)
F22—C13	1.344 (3)	C31—C32	1.553 (4)
F23—C13	1.341 (3)	C32—C33	1.547 (4)
F24—C14	1.324 (4)	C33—C34	1.555 (4)
F25—C14	1.326 (4)	C34—C35	1.539 (4)
F26—C14	1.324 (4)	C35—C36	1.539 (4)
F27—C24	1.360 (3)	C41—H41A	0.9800
F28—C24	1.347 (3)	C41—H41B	0.9800
F29—C25	1.346 (3)	C41—H41C	0.9800
F30—C25	1.351 (3)	C42—H42A	0.9800
F31—C26	1.343 (3)	C42—H42B	0.9800
F32—C26	1.345 (4)	C42—H42C	0.9800
F33—C27	1.344 (4)	C43—H43A	0.9800
F34—C27	1.349 (3)	C43—H43B	0.9800
F35—C28	1.342 (3)	C43—H43C	0.9800
F36—C28	1.343 (4)	C44—H44A	0.9800
F37—C29	1.325 (5)	C44—H44B	0.9800
F38—C29	1.315 (5)	C44—H44C	0.9800
Ru2—Ru1—S1	165.14 (3)	F16—C10—C11	108.3 (2)
Ru2—Ru1—O1	85.57 (5)	F17—C10—C9	108.61 (19)
Ru2—Ru1—O3	81.03 (5)	C9—C10—C11	115.0 (2)
Ru2—Ru1—C15	91.69 (9)	F16—C10—F17	107.67 (19)
Ru2—Ru1—C17	97.51 (8)	F16—C10—C9	108.21 (18)
S1—Ru1—O1	84.66 (5)	F17—C10—C11	108.8 (2)
S1—Ru1—O3	86.48 (5)	F18—C11—C10	108.8 (2)
S1—Ru1—C15	97.79 (9)	F18—C11—C12	108.2 (2)
S1—Ru1—C17	93.93 (8)	F18—C11—F19	108.2 (2)
O1—Ru1—O3	81.58 (7)	C10—C11—C12	117.7 (2)
O1—Ru1—C15	176.98 (10)	F19—C11—C10	107.9 (2)
O1—Ru1—C17	91.58 (10)	F19—C11—C12	105.8 (2)
O3—Ru1—C15	96.76 (10)	F21—C12—C11	105.7 (2)
O3—Ru1—C17	173.08 (10)	F20—C12—F21	107.9 (2)
C15—Ru1—C17	90.03 (13)	C11—C12—C13	117.8 (2)
Ru1—Ru2—S2	164.70 (3)	F20—C12—C11	108.2 (2)
Ru1—Ru2—O2	80.73 (5)	F21—C12—C13	108.1 (2)
Ru1—Ru2—O4	85.21 (5)	F20—C12—C13	108.8 (2)
Ru1—Ru2—C16	98.04 (8)	F23—C13—C14	107.7 (2)
Ru1—Ru2—C18	92.40 (8)	C12—C13—C14	114.9 (3)
S2—Ru2—O2	86.55 (5)	F23—C13—C12	108.9 (2)
S2—Ru2—O4	84.54 (5)	F22—C13—C12	109.4 (2)
S2—Ru2—C16	93.78 (8)	F22—C13—C14	107.5 (3)
S2—Ru2—C18	97.63 (8)	F22—C13—F23	108.3 (2)
O2—Ru2—O4	81.56 (7)	F24—C14—F25	108.3 (3)
O2—Ru2—C16	174.25 (10)	F24—C14—F26	108.7 (3)
O2—Ru2—C18	97.19 (10)	F26—C14—C13	110.8 (3)
O4—Ru2—C16	92.75 (10)	F24—C14—C13	111.1 (2)
O4—Ru2—C18	177.44 (10)	F25—C14—F26	108.4 (2)
C16—Ru2—C18	88.47 (13)	F25—C14—C13	109.5 (3)
O13—Ru3—C37	94.49 (10)	Ru1—C15—O5	178.8 (3)
O13—Ru3—C39	174.63 (10)	Ru2—C16—O6	177.2 (3)
C37—Ru3—C39	89.47 (13)	Ru1—C17—O7	176.1 (3)
S3—Ru3—O13	84.05 (5)	Ru2—C18—O8	177.1 (3)
Ru4—Ru3—S3	164.05 (3)	H19B—C19—H19C	109.00
Ru4—Ru3—O11	80.94 (5)	S1—C19—H19B	110.00
Ru4—Ru3—O13	84.70 (5)	S1—C19—H19A	110.00
Ru4—Ru3—C37	98.17 (8)	H19A—C19—H19C	110.00
Ru4—Ru3—C39	91.15 (8)	S1—C19—H19C	109.00
S3—Ru3—O11	86.41 (5)	H19A—C19—H19B	109.00
O11—Ru3—O13	82.52 (7)	S1—C20—H20C	109.00
S3—Ru3—C37	93.95 (8)	S1—C20—H20B	110.00
S3—Ru3—C39	99.33 (8)	S1—C20—H20A	110.00
O11—Ru3—C37	176.94 (10)	H20A—C20—H20B	110.00
O11—Ru3—C39	93.48 (10)	H20A—C20—H20C	109.00
Ru3—Ru4—S4	163.46 (3)	H20B—C20—H20C	109.00
O14—Ru4—C40	174.39 (10)	S2—C21—H21A	109.00
C38—Ru4—C40	88.68 (13)	S2—C21—H21B	109.00
S4—Ru4—C38	99.90 (8)	S2—C21—H21C	109.00
Ru3—Ru4—O12	84.99 (5)	H21A—C21—H21B	109.00
Ru3—Ru4—O14	80.98 (5)	H21A—C21—H21C	110.00
Ru3—Ru4—C38	91.68 (8)	H21B—C21—H21C	110.00
Ru3—Ru4—C40	98.23 (8)	S2—C22—H22A	110.00
S4—Ru4—O12	83.07 (5)	S2—C22—H22B	110.00
S4—Ru4—O14	85.90 (5)	S2—C22—H22C	110.00
O12—Ru4—C38	176.35 (10)	H22A—C22—H22B	109.00
S4—Ru4—C40	93.84 (8)	H22A—C22—H22C	109.00
O12—Ru4—O14	81.15 (7)	H22B—C22—H22C	109.00
O12—Ru4—C40	93.25 (10)	O11—C23—O12	128.9 (2)
O14—Ru4—C38	96.89 (10)	O11—C23—C24	116.6 (2)
Ru1—S1—C20	110.65 (10)	O12—C23—C24	114.5 (2)
Ru1—S1—O9	117.00 (8)	F27—C24—F28	107.77 (19)
Ru1—S1—C19	111.89 (11)	F27—C24—C23	108.1 (2)
C19—S1—C20	99.36 (15)	F27—C24—C25	107.93 (19)
O9—S1—C19	108.31 (13)	F28—C24—C23	111.1 (2)
O9—S1—C20	108.12 (13)	F28—C24—C25	108.5 (2)
O10—S2—C21	108.32 (13)	C23—C24—C25	113.2 (2)
Ru2—S2—O10	116.95 (8)	F29—C25—F30	107.61 (19)
Ru2—S2—C21	112.04 (10)	F29—C25—C24	108.5 (2)
Ru2—S2—C22	109.90 (10)	F29—C25—C26	108.6 (2)
O10—S2—C22	108.79 (13)	F30—C25—C24	108.05 (19)
C21—S2—C22	99.37 (14)	F30—C25—C26	108.1 (2)
Ru3—S3—O19	116.29 (8)	C24—C25—C26	115.7 (2)
Ru3—S3—C41	112.73 (10)	F31—C26—F32	108.3 (2)
Ru3—S3—C42	110.79 (10)	F31—C26—C25	108.8 (2)
O19—S3—C41	108.12 (13)	F31—C26—C27	108.4 (2)
O19—S3—C42	108.35 (13)	F32—C26—C25	108.0 (2)
C41—S3—C42	99.13 (14)	F32—C26—C27	105.4 (2)
Ru4—S4—O20	116.02 (8)	C25—C26—C27	117.6 (2)
Ru4—S4—C43	112.90 (10)	F33—C27—F34	108.1 (2)
O20—S4—C43	108.41 (13)	F33—C27—C26	108.4 (2)
O20—S4—C44	108.89 (13)	F33—C27—C28	108.3 (2)
C43—S4—C44	99.25 (14)	F34—C27—C26	105.9 (2)
Ru4—S4—C44	110.03 (10)	F34—C27—C28	107.7 (2)
Ru1—O1—C1	115.61 (15)	C26—C27—C28	118.1 (3)
Ru2—O2—C1	123.30 (16)	F35—C28—F36	108.2 (2)
Ru1—O3—C8	123.30 (16)	F35—C28—C27	109.0 (2)
Ru2—O4—C8	116.06 (15)	F35—C28—C29	107.6 (2)
Ru3—O11—C23	122.72 (16)	F36—C28—C27	109.3 (2)
Ru4—O12—C23	116.39 (15)	F36—C28—C29	107.6 (3)
Ru3—O13—C30	114.98 (14)	C27—C28—C29	114.9 (3)
Ru4—O14—C30	122.65 (16)	F37—C29—F38	107.7 (3)
O1—C1—O2	129.3 (2)	F37—C29—F39	108.7 (3)
O1—C1—C2	114.2 (2)	F37—C29—C28	109.0 (3)
O2—C1—C2	116.5 (2)	F38—C29—F39	109.1 (3)
C1—C2—C3	111.83 (19)	F38—C29—C28	110.5 (3)
F1—C2—C3	107.89 (18)	F39—C29—C28	111.8 (3)
F1—C2—F2	107.79 (19)	O13—C30—O14	129.0 (2)
F1—C2—C1	109.0 (2)	O13—C30—C31	114.8 (2)
F2—C2—C1	110.82 (19)	O14—C30—C31	116.1 (2)
F2—C2—C3	109.3 (2)	F40—C31—F41	107.77 (19)
F4—C3—C2	108.09 (19)	F40—C31—C30	111.0 (2)
F3—C3—C4	108.2 (2)	F40—C31—C32	108.5 (2)
C2—C3—C4	116.5 (2)	F41—C31—C30	109.9 (2)
F3—C3—F4	107.8 (2)	F41—C31—C32	108.81 (19)
F4—C3—C4	107.8 (2)	C30—C31—C32	110.81 (19)
F3—C3—C2	108.1 (2)	F42—C32—F43	108.2 (2)
C3—C4—C5^i	115.9 (3)	F42—C32—C31	109.0 (2)
F5A^ii—C4—C3	103.7 (5)	F42—C32—C33	107.8 (2)
F6^i—C4—C3	107.9 (5)	F43—C32—C31	107.43 (19)
F6A^ii—C4—C5A^ii	115.2 (9)	F43—C32—C33	107.4 (2)
F5^i—C4—F6^i	109.6 (4)	C31—C32—C33	116.7 (2)
F6A^ii—C4—C3	111.6 (9)	F44—C33—F45	108.3 (2)
C3—C4—C5A^ii	117.5 (3)	F44—C33—C32	108.6 (2)
F6^i—C4—C5^i	101.1 (5)	F44—C33—C34	108.9 (2)
F5A^ii—C4—F6A^ii	107.9 (6)	F45—C33—C32	108.8 (2)
F5A^ii—C4—C5A^ii	98.7 (6)	F45—C33—C34	108.8 (2)
F5^i—C4—C3	111.4 (4)	C32—C33—C34	113.4 (2)
F5^i—C4—C5^i	110.3 (4)	F46—C34—F47	108.1 (2)
F8^i—C5^i—C6^i	108.7 (5)	F46—C34—C33	108.9 (2)
C4—C5^i—C6^i	118.2 (4)	F46—C34—C35	108.2 (2)
F7^i—C5^i—F8^i	107.5 (4)	F47—C34—C33	108.4 (2)
F8^i—C5^i—C4	109.7 (4)	F47—C34—C35	108.8 (2)
F7^i—C5^i—C4	104.1 (3)	C33—C34—C35	114.3 (2)
F7^i—C5^i—C6^i	108.0 (4)	F48—C35—F49	109.1 (2)
C4—C5A^ii—C6A^ii	113.8 (9)	F48—C35—C34	108.7 (2)
F7A^ii—C5A^ii—C4	104.0 (5)	F48—C35—C36	107.3 (2)
F8A^ii—C5A^ii—C4	112.3 (7)	F49—C35—C34	109.1 (2)
F7A^ii—C5A^ii—F8A^ii	108.7 (9)	F49—C35—C36	108.0 (2)
F7A^ii—C5A^ii—C6A^ii	109.8 (8)	C34—C35—C36	114.5 (2)
F8A^ii—C5A^ii—C6A^ii	108.2 (8)	F50—C36—F51	108.7 (2)
F10^i—C6^i—C7	111.7 (6)	F50—C36—F52	108.1 (2)
C5^i—C6^i—C7	113.8 (5)	F50—C36—C35	109.3 (2)
F10^i—C6^i—C5^i	109.2 (6)	F51—C36—F52	108.8 (2)
F9^i—C6^i—C7	106.0 (9)	F51—C36—C35	110.5 (2)
F9^i—C6^i—C5^i	107.8 (8)	F52—C36—C35	111.5 (2)
F9^i—C6^i—F10^i	108.1 (9)	Ru3—C37—O15	178.5 (2)
F9A^ii—C6A^ii—F10A^ii	106.4 (14)	Ru4—C38—O16	177.3 (2)
F9A^ii—C6A^ii—C5A^ii	108.7 (10)	Ru3—C39—O17	178.5 (2)
F10A^ii—C6A^ii—C5A^ii	113.3 (14)	Ru4—C40—O18	177.6 (3)
C5A^ii—C6A^ii—C7	112.3 (9)	S3—C41—H41A	110.00
F9A^ii—C6A^ii—C7	107.6 (9)	S3—C41—H41B	109.00
F10A^ii—C6A^ii—C7	108.3 (13)	S3—C41—H41C	109.00
F12^i—C7—F13^i	111.6 (4)	H41A—C41—H41B	109.00
F11^i—C7—F12^i	108.6 (4)	H41A—C41—H41C	109.00
F12^i—C7—C6^i	115.1 (4)	H41B—C41—H41C	109.00
F13^i—C7—C6^i	109.6 (4)	S3—C42—H42A	110.00
F11A^ii—C7—F12A^ii	109.0 (7)	S3—C42—H42B	109.00
F12A^ii—C7—C6A^ii	103.0 (7)	S3—C42—H42C	110.00
F13A^ii—C7—C6A^ii	109.2 (7)	H42A—C42—H42B	109.00
F12A^ii—C7—F13A^ii	106.5 (6)	H42A—C42—H42C	109.00
F11A^ii—C7—C6A^ii	111.3 (7)	H42B—C42—H42C	109.00
F11^i—C7—F13^i	102.8 (5)	S4—C43—H43A	109.00
F11^i—C7—C6^i	108.3 (5)	S4—C43—H43B	110.00
F11A^ii—C7—F13A^ii	116.8 (8)	S4—C43—H43C	110.00
O3—C8—C9	116.0 (2)	H43A—C43—H43B	109.00
O3—C8—O4	129.0 (2)	H43A—C43—H43C	109.00
O4—C8—C9	115.0 (2)	H43B—C43—H43C	109.00
F14—C9—C8	108.6 (2)	S4—C44—H44A	109.00
C8—C9—C10	113.15 (19)	S4—C44—H44B	109.00
F14—C9—F15	107.75 (19)	S4—C44—H44C	110.00
F15—C9—C8	110.72 (19)	H44A—C44—H44B	110.00
F15—C9—C10	108.7 (2)	H44A—C44—H44C	110.00
F14—C9—C10	107.78 (18)	H44B—C44—H44C	109.00
O1—Ru1—Ru2—O2	−15.43 (7)	C4—C5^i—C6^i—C7	162.5 (4)
O1—Ru1—Ru2—O4	−97.64 (7)	C4—C5^i—C6^i—F9^i	−80.3 (10)
O1—Ru1—Ru2—C16	170.26 (10)	C4—C5^i—C6^i—F10^i	36.9 (7)
O1—Ru1—Ru2—C18	81.47 (10)	F8^i—C5^i—C6^i—F10^i	162.8 (5)
O3—Ru1—Ru2—O2	66.73 (7)	F9^i—C6^i—C7—F13^i	55.4 (10)
O3—Ru1—Ru2—O4	−15.48 (7)	F10^i—C6^i—C7—F11^i	49.3 (7)
O3—Ru1—Ru2—C16	−107.59 (10)	F10^i—C6^i—C7—F12^i	171.1 (5)
O3—Ru1—Ru2—C18	163.62 (10)	C5^i—C6^i—C7—F11^i	−74.9 (7)
C15—Ru1—Ru2—O2	163.31 (10)	C5^i—C6^i—C7—F12^i	46.9 (7)
C15—Ru1—Ru2—O4	81.10 (10)	C5^i—C6^i—C7—F13^i	173.7 (6)
C15—Ru1—Ru2—C16	−11.01 (13)	F9^i—C6^i—C7—F11^i	166.9 (9)
C15—Ru1—Ru2—C18	−99.80 (13)	F9^i—C6^i—C7—F12^i	−71.4 (9)
C17—Ru1—Ru2—O2	−106.44 (10)	F10^i—C6^i—C7—F13^i	−62.1 (7)
C17—Ru1—Ru2—O4	171.35 (10)	O3—C8—C9—F14	−118.2 (2)
C17—Ru1—Ru2—C16	79.24 (13)	O3—C8—C9—F15	−0.1 (3)
C17—Ru1—Ru2—C18	−9.55 (13)	O4—C8—C9—F14	62.4 (3)
O1—Ru1—S1—O9	−48.27 (11)	O4—C8—C9—F15	−179.51 (19)
O1—Ru1—S1—C19	−174.06 (13)	O3—C8—C9—C10	122.2 (2)
O1—Ru1—S1—C20	76.14 (12)	O4—C8—C9—C10	−57.2 (3)
O3—Ru1—S1—O9	−130.13 (11)	F14—C9—C10—F17	−40.9 (2)
O3—Ru1—S1—C19	104.09 (13)	F14—C9—C10—C11	81.4 (3)
O3—Ru1—S1—C20	−5.72 (12)	F15—C9—C10—F16	86.0 (2)
C15—Ru1—S1—O9	133.52 (13)	F15—C9—C10—F17	−157.35 (17)
C15—Ru1—S1—C19	7.73 (15)	F15—C9—C10—C11	−35.1 (3)
C15—Ru1—S1—C20	−102.08 (14)	C8—C9—C10—F16	−37.4 (3)
C17—Ru1—S1—O9	42.95 (13)	F14—C9—C10—F16	−157.45 (19)
C17—Ru1—S1—C19	−82.84 (15)	C8—C9—C10—C11	−158.6 (2)
C17—Ru1—S1—C20	167.36 (14)	C8—C9—C10—F17	79.2 (2)
Ru2—Ru1—O1—C1	22.27 (16)	F16—C10—C11—F18	−45.6 (3)
S1—Ru1—O1—C1	−146.52 (17)	F16—C10—C11—F19	−162.7 (2)
O3—Ru1—O1—C1	−59.30 (17)	F17—C10—C11—F18	−162.4 (2)
C17—Ru1—O1—C1	119.68 (18)	F17—C10—C11—F19	80.5 (3)
Ru2—Ru1—O3—C8	16.49 (17)	F16—C10—C11—C12	77.8 (3)
S1—Ru1—O3—C8	−171.59 (18)	C9—C10—C11—F18	75.5 (3)
O1—Ru1—O3—C8	103.30 (18)	C9—C10—C11—F19	−41.6 (3)
C15—Ru1—O3—C8	−74.2 (2)	C9—C10—C11—C12	−161.0 (2)
O2—Ru2—S2—O10	−127.14 (11)	F17—C10—C11—C12	−38.9 (3)
O2—Ru2—S2—C21	106.97 (12)	F18—C11—C12—F20	−167.5 (2)
O2—Ru2—S2—C22	−2.50 (12)	F18—C11—C12—F21	−52.1 (3)
O4—Ru2—S2—O10	−45.30 (11)	F19—C11—C12—F20	−51.8 (3)
O4—Ru2—S2—C21	−171.19 (12)	F19—C11—C12—F21	63.5 (3)
O4—Ru2—S2—C22	79.34 (12)	F18—C11—C12—C13	68.7 (3)
C16—Ru2—S2—O10	47.11 (13)	C10—C11—C12—F20	68.7 (3)
C16—Ru2—S2—C21	−78.78 (15)	C10—C11—C12—F21	−175.9 (2)
C16—Ru2—S2—C22	171.74 (14)	C10—C11—C12—C13	−55.1 (3)
C18—Ru2—S2—O10	136.06 (13)	F19—C11—C12—C13	−175.6 (2)
C18—Ru2—S2—C21	10.17 (15)	F20—C12—C13—F23	−49.3 (3)
C18—Ru2—S2—C22	−99.30 (14)	F20—C12—C13—C14	71.5 (3)
Ru1—Ru2—O2—C1	15.60 (17)	F20—C12—C13—F22	−167.5 (2)
S2—Ru2—O2—C1	−172.93 (18)	F21—C12—C13—F23	−166.3 (2)
O4—Ru2—O2—C1	102.09 (18)	F21—C12—C13—C14	−45.4 (3)
C18—Ru2—O2—C1	−75.67 (19)	C11—C12—C13—F22	−44.0 (3)
Ru1—Ru2—O4—C8	21.65 (16)	C11—C12—C13—F23	74.2 (3)
S2—Ru2—O4—C8	−146.97 (17)	C11—C12—C13—C14	−165.0 (2)
O2—Ru2—O4—C8	−59.66 (17)	F21—C12—C13—F22	75.6 (3)
C16—Ru2—O4—C8	119.50 (18)	F22—C13—C14—F24	−50.5 (4)
O11—Ru3—S3—C41	−111.80 (12)	F22—C13—C14—F25	69.1 (3)
O11—Ru3—S3—C42	−1.74 (12)	F23—C13—C14—F24	−167.0 (3)
O13—Ru3—S3—O19	39.70 (10)	F23—C13—C14—F25	−47.4 (3)
O13—Ru3—S3—C41	165.35 (12)	F23—C13—C14—F26	72.1 (3)
O13—Ru3—S3—C42	−84.59 (12)	C12—C13—C14—F24	71.5 (4)
C37—Ru3—S3—O19	−54.41 (13)	C12—C13—C14—F25	−169.0 (3)
C37—Ru3—S3—C41	71.25 (14)	C12—C13—C14—F26	−49.4 (3)
C37—Ru3—S3—C42	−178.69 (14)	F22—C13—C14—F26	−171.4 (2)
C39—Ru3—S3—O19	−144.52 (12)	O11—C23—C24—F27	116.5 (2)
C39—Ru3—S3—C41	−18.86 (14)	O11—C23—C24—F28	−1.6 (3)
C39—Ru3—S3—C42	91.20 (14)	O11—C23—C24—C25	−124.1 (2)
Ru4—Ru3—O11—C23	−17.91 (17)	O12—C23—C24—F27	−64.1 (3)
S3—Ru3—O11—C23	171.85 (18)	O12—C23—C24—F28	177.85 (19)
O13—Ru3—O11—C23	−103.69 (18)	O12—C23—C24—C25	55.4 (3)
C39—Ru3—O11—C23	72.70 (19)	F27—C24—C25—F29	46.0 (2)
Ru4—Ru3—O13—C30	−26.38 (16)	F27—C24—C25—F30	162.36 (19)
S3—Ru3—O13—C30	142.30 (17)	F27—C24—C25—C26	−76.3 (3)
O11—Ru3—O13—C30	55.15 (17)	F28—C24—C25—F29	162.52 (17)
C37—Ru3—O13—C30	−124.19 (18)	F28—C24—C25—F30	−81.1 (2)
O11—Ru3—Ru4—C40	109.10 (10)	F28—C24—C25—C26	40.2 (3)
O13—Ru3—Ru4—O12	99.77 (7)	C23—C24—C25—F29	−73.6 (2)
O13—Ru3—Ru4—O14	17.96 (7)	C23—C24—C25—F30	42.8 (3)
O13—Ru3—Ru4—C38	−78.75 (10)	C23—C24—C25—C26	164.1 (2)
O13—Ru3—Ru4—C40	−167.66 (10)	F29—C25—C26—F31	160.5 (2)
C37—Ru3—Ru4—O12	−166.44 (10)	F29—C25—C26—F32	−82.1 (2)
C37—Ru3—Ru4—O14	111.75 (10)	F29—C25—C26—C27	36.9 (3)
C37—Ru3—Ru4—C38	15.04 (13)	F30—C25—C26—F31	44.0 (3)
C37—Ru3—Ru4—C40	−73.87 (13)	F30—C25—C26—F32	161.4 (2)
C39—Ru3—Ru4—O12	−76.81 (10)	F30—C25—C26—C27	−79.6 (3)
C39—Ru3—Ru4—O14	−158.63 (10)	C24—C25—C26—F31	−77.2 (3)
C39—Ru3—Ru4—C38	104.66 (12)	C24—C25—C26—F32	40.1 (3)
C39—Ru3—Ru4—C40	15.76 (13)	C24—C25—C26—C27	159.1 (2)
O11—Ru3—S3—O19	122.54 (10)	F31—C26—C27—F33	168.6 (2)
O11—Ru3—Ru4—O14	−65.29 (7)	F31—C26—C27—F34	52.8 (3)
O11—Ru3—Ru4—C38	−162.00 (10)	F31—C26—C27—C28	−67.9 (3)
O11—Ru3—Ru4—O12	16.53 (7)	F32—C26—C27—F33	52.7 (3)
Ru3—Ru4—O14—C30	−17.46 (17)	F32—C26—C27—F34	−63.0 (3)
S4—Ru4—O14—C30	172.65 (17)	F32—C26—C27—C28	176.3 (2)
C38—Ru4—O14—C30	73.15 (19)	C25—C26—C27—F33	−67.6 (3)
O14—Ru4—S4—C43	−105.01 (12)	C25—C26—C27—F34	176.6 (2)
O12—Ru4—O14—C30	−103.74 (18)	C25—C26—C27—C28	55.9 (3)
C38—Ru4—S4—O20	−134.70 (13)	F33—C27—C28—F35	52.3 (3)
C38—Ru4—S4—C43	−8.72 (14)	F33—C27—C28—F36	170.3 (2)
C38—Ru4—S4—C44	101.15 (14)	F33—C27—C28—C29	−68.6 (3)
C40—Ru4—S4—O20	−45.38 (13)	F34—C27—C28—F35	168.9 (2)
C40—Ru4—S4—C43	80.61 (14)	F34—C27—C28—F36	−73.0 (3)
C40—Ru4—S4—C44	−169.53 (14)	F34—C27—C28—C29	48.1 (3)
O14—Ru4—S4—C44	4.85 (12)	C26—C27—C28—F35	−71.3 (3)
O14—Ru4—O12—C23	58.69 (17)	C26—C27—C28—F36	46.8 (3)
C40—Ru4—O12—C23	−120.92 (18)	C26—C27—C28—C29	167.8 (3)
O12—Ru4—S4—O20	47.43 (10)	F35—C28—C29—F37	48.6 (4)
O12—Ru4—S4—C43	173.42 (12)	F35—C28—C29—F38	−69.6 (4)
O12—Ru4—S4—C44	−76.72 (12)	F35—C28—C29—F39	168.8 (3)
O14—Ru4—S4—O20	129.00 (10)	F36—C28—C29—F37	−67.8 (3)
Ru3—Ru4—O12—C23	−22.94 (16)	F36—C28—C29—F38	174.1 (3)
S4—Ru4—O12—C23	145.60 (17)	F36—C28—C29—F39	52.4 (4)
Ru1—O1—C1—O2	−18.7 (3)	C27—C28—C29—F37	170.2 (3)
Ru1—O1—C1—C2	159.62 (14)	C27—C28—C29—F38	52.1 (4)
Ru2—O2—C1—C2	179.83 (14)	C27—C28—C29—F39	−69.6 (4)
Ru2—O2—C1—O1	−1.9 (3)	O13—C30—C31—F40	178.07 (19)
Ru1—O3—C8—C9	176.96 (14)	O13—C30—C31—F41	−62.8 (3)
Ru1—O3—C8—O4	−3.8 (3)	O13—C30—C31—C32	57.5 (3)
Ru2—O4—C8—C9	162.21 (15)	O14—C30—C31—F40	−0.1 (3)
Ru2—O4—C8—O3	−17.1 (3)	O14—C30—C31—F41	119.0 (2)
Ru3—O11—C23—O12	4.8 (3)	O14—C30—C31—C32	−120.7 (2)
Ru3—O11—C23—C24	−175.85 (14)	F40—C31—C32—F42	160.26 (18)
Ru4—O12—C23—O11	17.5 (3)	F40—C31—C32—F43	−82.7 (2)
Ru4—O12—C23—C24	−161.86 (14)	F40—C31—C32—C33	37.8 (3)
Ru3—O13—C30—O14	23.1 (3)	F41—C31—C32—F42	43.3 (3)
Ru3—O13—C30—C31	−154.81 (15)	F41—C31—C32—F43	160.26 (19)
Ru4—O14—C30—O13	0.6 (3)	F41—C31—C32—C33	−79.2 (3)
Ru4—O14—C30—C31	178.51 (14)	C30—C31—C32—F42	−77.7 (2)
O1—C1—C2—F1	63.3 (3)	C30—C31—C32—F43	39.3 (3)
O1—C1—C2—F2	−178.20 (19)	C30—C31—C32—C33	159.9 (2)
O1—C1—C2—C3	−55.9 (3)	F42—C32—C33—F44	162.30 (19)
O2—C1—C2—F1	−118.2 (2)	F42—C32—C33—F45	−80.1 (2)
O2—C1—C2—F2	0.3 (3)	F42—C32—C33—C34	41.1 (3)
O2—C1—C2—C3	122.6 (2)	F43—C32—C33—F44	45.9 (3)
F2—C2—C3—F4	82.8 (2)	F43—C32—C33—F45	163.6 (2)
F2—C2—C3—C4	−38.7 (3)	F43—C32—C33—C34	−75.3 (3)
C1—C2—C3—F3	76.1 (2)	C31—C32—C33—F44	−74.7 (3)
F1—C2—C3—F3	−43.8 (3)	C31—C32—C33—F45	43.0 (3)
F1—C2—C3—F4	−160.2 (2)	C31—C32—C33—C34	164.2 (2)
F1—C2—C3—C4	78.3 (3)	F44—C33—C34—F46	−83.8 (3)
F2—C2—C3—F3	−160.76 (18)	F44—C33—C34—F47	158.8 (2)
C1—C2—C3—F4	−40.3 (3)	F44—C33—C34—C35	37.3 (3)
C1—C2—C3—C4	−161.8 (2)	F45—C33—C34—F46	158.4 (2)
F4—C3—C4—F6^i	−59.0 (4)	F45—C33—C34—F47	41.0 (3)
F3—C3—C4—C5^i	−62.9 (3)	F45—C33—C34—C35	−80.6 (3)
F4—C3—C4—F5^i	−179.4 (4)	C32—C33—C34—F46	37.2 (3)
C2—C3—C4—C5^i	175.1 (3)	C32—C33—C34—F47	−80.2 (3)
F3—C3—C4—F6^i	−175.3 (3)	C32—C33—C34—C35	158.3 (2)
F4—C3—C4—C5^i	53.4 (3)	F46—C34—C35—F48	47.8 (3)
C2—C3—C4—F5^i	−57.7 (4)	F46—C34—C35—F49	166.6 (2)
F3—C3—C4—F5^i	64.3 (4)	F46—C34—C35—C36	−72.2 (3)
C2—C3—C4—F6^i	62.7 (4)	F47—C34—C35—F48	165.0 (2)
F6^i—C4—C5^i—C6^i	176.6 (6)	F47—C34—C35—F49	−76.2 (3)
C3—C4—C5^i—C6^i	60.3 (5)	F47—C34—C35—C36	45.0 (3)
F5^i—C4—C5^i—C6^i	−67.4 (6)	C33—C34—C35—F48	−73.7 (3)
C3—C4—C5^i—F8^i	−65.1 (4)	C33—C34—C35—F49	45.1 (3)
F5^i—C4—C5^i—F8^i	167.2 (5)	C33—C34—C35—C36	166.3 (3)
F6^i—C4—C5^i—F8^i	51.3 (5)	F48—C35—C36—F50	49.6 (3)
C3—C4—C5^i—F7^i	−179.9 (3)	F48—C35—C36—F51	−70.0 (3)
F6^i—C4—C5^i—F7^i	−63.6 (5)	F48—C35—C36—F52	169.0 (2)
F5^i—C4—C5^i—F7^i	52.4 (5)	F49—C35—C36—F50	−67.9 (3)
F7^i—C5^i—C6^i—F10^i	−80.8 (6)	F49—C35—C36—F51	172.5 (2)
F7^i—C5^i—C6^i—F9^i	161.9 (9)	F49—C35—C36—F52	51.5 (3)
F8^i—C5^i—C6^i—C7	−71.6 (6)	C34—C35—C36—F50	170.3 (2)
F7^i—C5^i—C6^i—C7	44.7 (7)	C34—C35—C36—F51	50.8 (3)
F8^i—C5^i—C6^i—F9^i	45.6 (10)	C34—C35—C36—F52	−70.3 (3)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C20—H20A···F29^i	0.98	2.47	2.977 (3)	112
C20—H20A···O3	0.98	2.59	2.953 (3)	102
C22—H22A···F42^ii	0.98	2.42	2.997 (3)	117
C22—H22A···O2	0.98	2.57	2.922 (3)	101
C22—H22C···F27	0.98	2.48	3.363 (3)	150
C41—H41A···O18^iii	0.98	2.55	3.299 (4)	133
C42—H42A···F1^iv	0.98	2.52	3.371 (3)	145
C42—H42C···O10	0.98	2.44	3.344 (4)	153
C43—H43C···O9^v	0.98	2.56	3.424 (4)	147
C44—H44A···F14^vi	0.98	2.43	3.313 (3)	150
C44—H44C···O14	0.98	2.58	2.920 (3)	100

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