fac,trans-[(2,2′-Bipyridine-N,N′)tricarbonylrhenium(I)]-μ-(4,4′-bipyridine)-N:N′-{chlorobis[1,2-phenylenebis(dimethylarsine)]ruthenium(II)} bis(hexafluorophosphate) diacetone solvate

The crystal structure of the heterobimetallic title compound, [ReRuCl(C₁₀H₁₆As₂)₂(C₁₀H₈N₂)₂(CO)₃](PF₆)₂·2C₃H₆O, is described. Both metal centres have pseudo-octahedral coordination geometries, with a facial arrangement of the carbonyl ligands at Re^I and a trans disposition of the diarsine ligands at Ru^II. The dihedral angle between the pyridyl rings of the 4,4′-bi­pyridine bridging ligand is 13.9 (6)°.

S1. Comment

There is currently great interest in ligand-bridged, di- and polynuclear transition metal complexes. Such compounds are of fundamental importance for the study of intermetallic electronic interactions (Creutz, 1983; Nelsen, 2000), and may also find practical applications in the emerging field of molecular electronics, as components of molecular-scale wires or switches (Crutchley, 1994; Ward, 1995).

We have previously reported a series of symmetrical, dinuclear complexes containing trans-[Ru^IICl(pdma)₂]⁺ [pdma = 1,2-phenylenebis(dimethylarsine)] centres (Coe et al., 1997), and here describe the synthesis and structure of a related hetero-dinuclear complex salt, (I), containing a fac-[Re^I(2,2'-bpy)(CO)₃]⁺ (2,2'-bpy = 2,2'-bipyridine) moiety. Such rhenium(I) α-diimine centres are of interest for their photoexcitation properties (Schanze et al., 1993). A recent report of particular relevance to the present study described photoinduced electron-transfer in the trinuclear complex fac, trans-[Re^I(dmb)(CO)₃] (µ-4,4'-bpy)Ru^III(en)₂(µ-NC)Fe^III(CN)₅]⁺ (dmb = 4,4'-dimethyl-2,2'-bipyridine, 4,4'-bpy = 4,4'-bipyridine, en = 1,2-diaminoethane) (Pfennig et al., 1998). To our knowledge, (I) contains the first hetero-dinuclear transition metal complex featuring a 4,4'-bpy bridging ligand to be structurally characterized. The only other related complex, [Cd^II(4,4'-bpy)₂{Ag^I(CN)₂}₂], has an interpenetrating double framework structure containing 4,4'-bpy bridges between cadmium(II) and silver(I) ions (Soma et al., 1994). \sch

Complex (I) was synthesized by the reaction of trans-[Ru^IICl(pdma)₂(4,4'-bpy)]PF₆ (Coe et al., 1997) with fac-Re^I(CF₃SO₃)(2,2'-bpy)(CO)₃ (Sullivan & Meyer, 1984). The intense dπ(Ru^II)→ π*(4,4'-bpy) metal-to-ligand charge-transfer absorption band of trans-[Ru^IICl(pdma)₂(4,4'-bpy)]PF₆ (λ_max = 418 nm in acetonitrile; Coe et al., 1997) undergoes a red-shift of ca 0.2 eV upon coordination of the fac-Re^I(2,2'-bpy)(CO)₃ group to afford (I). However, the Ru^III/II E_1/2 potentials obtained from cyclic voltammetry for (I) and for trans-[Ru^IICl(pdma)₂(4,4'-bpy)]PF₆ are identical (1.09 V versus the saturated calomel electrode in acetonitrile). There is thus minimal electronic communication between the two metal centres in (I).

The molecular structure of the complex in (I) is as indicated by ¹NMR spectroscopy, with both metal centres having pseudo-octahedral coordination geometries, a facial arrangement of the carbonyl ligands at rhenium(I) and a trans disposition of the diarsine ligands at ruthenium(II). The metal centres are almost perfectly eclipsed with respect to each other, and their geometrical parameters are similar to those found previously in fac-[{Re^I(2,2'-bpy)(CO)₃}₂(µ-bpa)] (BPh₄)₂·2C₄H₁₀O [bpa = 1,2-bis(4-pyridyl)ethane] (Lin et al., 1992) and in other trans-{Ru^IICl(pdma)₂}⁺ complexes (Coe et al., 1997). Also as observed in related structures (Coe et al., 1997), the Ru-coordinated ring of the 4,4'-bpy ligand approximately bisects the As–Ru–As chelate angles. The dihedral angle between the rings of the 4,4'-bpy bridging ligand in (I) is 13.9 (6)° (ring planes defined by N1/C21/C22/C23/C24/C25 and N2/C26/C27/C28/C29/C30), a little larger than the corresponding angle in the mononuclear precursor trans-[Ru^IICl(pdma)₂(4,4'-bpy)]PF₆ (10.27 (5)°) (Coe et al., 2000). The close similarity of these dihedral angles is consistent with the lack of intermetallic (π) electronic coupling in (I) shown by cyclic voltammetry (see above). The structure of (I) contains no classical hydrogen bonds, but the following close contacts are worthy of note: C25—H25···O5, C···O 3.080 (17) Å and C38—H38···O1, C···O 3.22 (2) Å (symmetry code: 1 − x, 1 − y, −0.5 + z).

S2. Experimental

A solution of fac-[Re(CO)₃(2,2'-bpy)(CF₃SO₃)] (13 mg, 0.023 mmol) and trans-[RuCl(pdma)₂(4,4'-bpy)]PF₆ (20 mg, 0.020 mmol) in 2-butanone (10 cm³) was heated at reflux in the dark under Ar for 5 h. Addition of aqueous NH₄PF₆ produced an orange precipitate, which was filtered off, washed with water and dried. Reprecipitation from acetone/diethyl ether, followed by several recrystallizations from acetonitrile/diethyl ether afforded a red crystalline solid [yield 7 mg (22%)]. Found: C 32.54, H 3.07, N 3.29. Calculated for C₄₃H₄₈As₄ClF₁₂N₄O₃P₂ReRu: C 32.66, H 3.06, N 3.54%. ¹H NMR data (200 MHz, CD₃COCD₃): δ 9.43 (2H, d, J = 4.8 Hz, H^6,6'), 8.67 (2H, d, J = 8.2 Hz, H^3,3'), 8.58 (2H, d, J = 6.8 Hz, C₅H₄N), 8.42 (2H, t, H^4,4'), 8.29 (4H, m, 2C₆H₂), 7.95 (2H, t, H^5,5'), 7.83 (4H, m, 2C₆H₂), 7.76 (2H, d, J = 6.9 Hz, C₅H₄N), 7.68 (2H, d, J = 6.8 Hz, C₅H₄N), 7.41 (2H, d, J = 6.9 Hz, C₅H₄N), 1.88 (12H, s, 4 x AsMe), 1.74 (12H, s, 4 x AsMe). i.r. υ(C═O) (KBr disc) 2033, 1926 cm⁻¹. Crystals suitable for single-crystal X-ray diffraction measurements were obtained by slow diffusion of diethyl ether vapour into a solution of (I) in acetone at 277 K.

S3. Refinement

Geometrical and thermal restraints were applied to the two PF₆⁻ anions in order to accurately model the disorder present, whilst the absolute structure configuration was tested using the Flack parameter (Flack, 1983).

Computing details

Data collection: DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998); cell refinement: DENZO and COLLECT; data reduction: DENZO and COLLECT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 1990).

Figures

Fig. 1. View of the complex cation in (I), with H atoms omitted (50% probability displacement ellipsoids).

(I)

Crystal data

[ReRuCl(C10H16As2)2(C10H8N2)2(CO)3](PF6)2·2C3H6O	F(000) = 3312
Mr = 1697.35	Dx = 1.838 Mg m^−3
Orthorhombic, Pna21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2n	Cell parameters from 15874 reflections
a = 22.736 (5) Å	θ = 1.1–25°
b = 30.654 (6) Å	µ = 4.54 mm^−1
c = 8.799 (2) Å	T = 150 K
V = 6132 (2) Å^3	Plate, orange
Z = 4	0.45 × 0.08 × 0.02 mm

Data collection

Nonius KappaCCD diffractometer	6157 reflections with I > 2σ(I)
Radiation source: Nonius FR591 rotating anode	Rint = 0.109
ϕ and ω scans	θmax = 25°, θmin = 1.1°
Absorption correction: multi-scans (SORTAV; Blessing, 1995)	h = −14→27
Tmin = 0.235, Tmax = 0.915	k = −36→36
15874 measured reflections	l = −8→9
7883 independent reflections

Refinement

Refinement on F^2	H-atom parameters constrained
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0546P)^2], P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.051	(Δ/σ)max = 0.006
wR(F^2) = 0.115	Δρmax = 1.55 e Å^−3
S = 0.99	Δρmin = −1.16 e Å^−3
7883 reflections	Absolute structure: Flack (1983)
852 parameters	Absolute structure parameter: 0.066 (10)
308 restraints

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Re1	0.54544 (2)	0.632662 (16)	0.88929 (7)	0.03053 (15)
Ru1	0.88113 (5)	0.61175 (3)	−0.06056 (10)	0.0226 (2)
As1	0.94020 (6)	0.55697 (4)	0.06469 (13)	0.0247 (3)
As2	0.83271 (6)	0.55013 (4)	−0.17887 (13)	0.0250 (3)
As3	0.82761 (6)	0.66561 (4)	−0.20670 (14)	0.0312 (4)
As4	0.93459 (6)	0.67408 (5)	0.03777 (15)	0.0301 (3)
Cl1	0.95169 (15)	0.60767 (12)	−0.2666 (4)	0.0389 (9)
O1	0.6277 (5)	0.5739 (4)	1.0782 (11)	0.053 (3)
O2	0.6183 (5)	0.7085 (4)	1.0091 (13)	0.068 (4)
O3	0.4801 (5)	0.6455 (4)	1.1954 (11)	0.061 (3)
N1	0.8183 (4)	0.6139 (3)	0.1169 (10)	0.020 (2)
N2	0.5956 (5)	0.6245 (3)	0.6793 (12)	0.032 (3)
N3	0.4874 (5)	0.6693 (3)	0.7399 (11)	0.030 (3)
N4	0.4896 (4)	0.5831 (4)	0.7884 (11)	0.026 (3)
C1	0.9362 (6)	0.5481 (5)	0.2845 (14)	0.043 (4)
H1A	0.8958	0.5407	0.3134	0.065*
H1B	0.9481	0.575	0.3366	0.065*
H1C	0.9626	0.5243	0.3136	0.065*
C2	1.0248 (5)	0.5573 (5)	0.0334 (17)	0.045 (4)
H2A	1.0423	0.5318	0.083	0.067*
H2B	1.0416	0.584	0.0772	0.067*
H2C	1.0333	0.5564	−0.0758	0.067*
C3	0.9165 (5)	0.4987 (4)	−0.0058 (14)	0.025 (3)
C4	0.9412 (6)	0.4612 (5)	0.0497 (15)	0.036 (4)
H4	0.9716	0.463	0.1233	0.043*
C5	0.9227 (6)	0.4213 (5)	0.0010 (17)	0.043 (4)
H5	0.9408	0.3955	0.0385	0.051*
C6	0.8775 (6)	0.4186 (4)	−0.1033 (18)	0.040 (3)
H6	0.8651	0.3909	−0.1388	0.047*
C7	0.8504 (6)	0.4553 (4)	−0.1563 (12)	0.033 (3)
H7	0.8184	0.4533	−0.2252	0.04*
C8	0.8710 (5)	0.4963 (3)	−0.1063 (14)	0.020 (2)
C9	0.8359 (6)	0.5443 (5)	−0.3934 (14)	0.044 (4)
H9A	0.877	0.5427	−0.4261	0.066*
H9B	0.817	0.5696	−0.4409	0.066*
H9C	0.8153	0.5176	−0.4239	0.066*
C10	0.7497 (5)	0.5370 (4)	−0.1427 (16)	0.043 (4)
H10A	0.7272	0.5642	−0.14	0.064*
H10B	0.7456	0.5218	−0.0453	0.064*
H10C	0.7349	0.5183	−0.2246	0.064*
C11	0.7423 (6)	0.6679 (5)	−0.1990 (17)	0.048 (4)
H11A	0.7285	0.6946	−0.2494	0.071*
H11B	0.7293	0.668	−0.0928	0.071*
H11C	0.7259	0.6424	−0.251	0.071*
C12	0.8410 (7)	0.6709 (5)	−0.4217 (15)	0.049 (4)
H12A	0.8217	0.6467	−0.4747	0.074*
H12B	0.8834	0.67	−0.4421	0.074*
H12C	0.8248	0.6986	−0.458	0.074*
C13	0.8479 (6)	0.7238 (4)	−0.1328 (16)	0.037 (4)
C14	0.8197 (7)	0.7605 (4)	−0.1893 (16)	0.041 (4)
H14	0.7911	0.7583	−0.2678	0.049*
C15	0.8349 (7)	0.8012 (4)	−0.126 (2)	0.059 (5)
H15	0.8143	0.8266	−0.1573	0.071*
C16	0.8781 (7)	0.8049 (6)	−0.0220 (19)	0.058 (5)
H16	0.8883	0.8328	0.0172	0.07*
C17	0.9081 (6)	0.7673 (5)	0.0287 (16)	0.036 (4)
H17	0.9388	0.7698	0.1014	0.044*
C18	0.8924 (6)	0.7265 (4)	−0.0288 (15)	0.031 (3)
C19	0.9418 (7)	0.6844 (5)	0.2574 (14)	0.053 (5)
H19A	0.9695	0.6633	0.301	0.079*
H19B	0.9032	0.6808	0.3056	0.079*
H19C	0.9562	0.714	0.2751	0.079*
C20	1.0157 (6)	0.6847 (5)	−0.0250 (19)	0.057 (5)
H20A	1.027	0.7145	0.0021	0.085*
H20B	1.019	0.6808	−0.1352	0.085*
H20C	1.0418	0.664	0.0266	0.085*
C21	0.7938 (5)	0.6517 (4)	0.1631 (14)	0.027 (3)
H21	0.8093	0.6782	0.1241	0.032*
C22	0.7476 (5)	0.6539 (4)	0.2634 (13)	0.029 (3)
H22	0.7316	0.6814	0.2917	0.035*
C23	0.7247 (6)	0.6160 (4)	0.3226 (13)	0.025 (3)
C24	0.7502 (5)	0.5773 (4)	0.2798 (13)	0.026 (3)
H24	0.7367	0.5506	0.322	0.031*
C25	0.7953 (5)	0.5773 (4)	0.1759 (13)	0.028 (3)
H25	0.8109	0.55	0.1441	0.034*
C26	0.6758 (5)	0.6183 (4)	0.4379 (14)	0.029 (3)
C27	0.6471 (6)	0.6566 (4)	0.4688 (14)	0.035 (4)
H27	0.6528	0.6815	0.4062	0.042*
C28	0.6088 (6)	0.6586 (4)	0.5953 (14)	0.035 (3)
H28	0.5917	0.6859	0.6207	0.042*
C29	0.6208 (6)	0.5855 (5)	0.6448 (15)	0.035 (4)
H29	0.6113	0.5603	0.7029	0.042*
C30	0.6611 (5)	0.5822 (4)	0.5226 (14)	0.029 (3)
H30	0.6783	0.5547	0.499	0.035*
C31	0.4870 (6)	0.7114 (5)	0.7220 (16)	0.041 (4)
H31	0.5102	0.7282	0.7901	0.049*
C32	0.4559 (7)	0.7336 (5)	0.6129 (16)	0.046 (4)
H32	0.4579	0.7645	0.6038	0.055*
C33	0.4211 (7)	0.7084 (6)	0.5161 (19)	0.056 (5)
H33	0.3985	0.7218	0.4383	0.067*
C34	0.4199 (7)	0.6651 (6)	0.5341 (17)	0.053 (4)
H34	0.3963	0.6479	0.4681	0.064*
C35	0.4522 (6)	0.6449 (5)	0.6469 (15)	0.032 (4)
C36	0.4529 (6)	0.5974 (5)	0.6752 (14)	0.034 (3)
C37	0.4184 (6)	0.5676 (6)	0.5982 (17)	0.047 (4)
H37	0.3924	0.5774	0.5209	0.056*
C38	0.4214 (7)	0.5233 (6)	0.633 (2)	0.060 (5)
H38	0.3985	0.5024	0.5791	0.073*
C39	0.4581 (6)	0.5111 (5)	0.7461 (17)	0.046 (4)
H39	0.461	0.4812	0.7736	0.056*
C40	0.4906 (6)	0.5412 (5)	0.8202 (15)	0.039 (4)
H40	0.5156	0.5316	0.8999	0.047*
C41	0.5974 (6)	0.5951 (5)	1.0044 (15)	0.037 (4)
C42	0.5916 (6)	0.6808 (5)	0.9645 (17)	0.041 (4)
C43	0.5020 (6)	0.6399 (4)	1.0784 (17)	0.039 (4)
O4	0.8001 (5)	0.7517 (4)	0.2878 (14)	0.069 (4)
C44	0.7224 (8)	0.7774 (6)	0.139 (2)	0.081 (6)
H44A	0.7263	0.7492	0.0874	0.122*
H44B	0.7266	0.8009	0.0643	0.122*
H44C	0.6836	0.7792	0.1871	0.122*
C45	0.7683 (8)	0.7815 (5)	0.255 (2)	0.055 (5)
C46	0.7727 (8)	0.8253 (5)	0.328 (2)	0.086 (7)
H46A	0.7873	0.822	0.4322	0.13*
H46B	0.7338	0.839	0.3303	0.13*
H46C	0.7999	0.8437	0.27	0.13*
O5	0.7994 (5)	0.4797 (4)	0.2586 (16)	0.087 (4)
C47	0.7442 (9)	0.4184 (7)	0.171 (2)	0.088 (6)
H47A	0.7362	0.436	0.0801	0.132*
H47B	0.7077	0.4141	0.2278	0.132*
H47C	0.7601	0.39	0.1399	0.132*
C48	0.7882 (7)	0.4415 (5)	0.269 (2)	0.060 (5)
C49	0.8203 (8)	0.4128 (5)	0.376 (3)	0.084 (6)
H49A	0.7922	0.3992	0.4463	0.126*
H49B	0.8487	0.4301	0.4343	0.126*
H49C	0.8411	0.39	0.3194	0.126*
P11	0.3619 (4)	0.5536 (3)	1.1346 (10)	0.063 (3)	0.837 (18)
F11	0.3632 (9)	0.5157 (4)	1.0192 (15)	0.142 (8)	0.837 (18)
F12	0.3610 (6)	0.5917 (5)	1.2557 (16)	0.086 (5)	0.837 (18)
F13	0.3620 (7)	0.5874 (4)	1.0032 (12)	0.091 (6)	0.837 (18)
F14	0.3639 (6)	0.5185 (4)	1.2724 (15)	0.076 (5)	0.837 (18)
F15	0.4316 (5)	0.5543 (5)	1.1386 (19)	0.107 (6)	0.837 (18)
F16	0.2928 (5)	0.5512 (6)	1.1405 (18)	0.120 (7)	0.837 (18)
P21	0.3462 (15)	0.5592 (12)	1.146 (4)	0.047 (12)	0.163 (18)
F21	0.381 (2)	0.5951 (18)	1.239 (6)	0.066 (16)	0.163 (18)
F22	0.311 (2)	0.5234 (11)	1.056 (5)	0.045 (13)	0.163 (18)
F23	0.376 (2)	0.5224 (18)	1.248 (6)	0.064 (16)	0.163 (18)
F24	0.317 (2)	0.5961 (12)	1.046 (5)	0.067 (15)	0.163 (18)
F25	0.399 (2)	0.5560 (18)	1.033 (6)	0.073 (15)	0.163 (18)
F26	0.2949 (19)	0.5627 (15)	1.267 (5)	0.062 (15)	0.163 (18)
P31	0.6126 (7)	0.7867 (3)	0.5322 (17)	0.067 (5)	0.60 (3)
F31	0.6071 (10)	0.7593 (5)	0.688 (2)	0.068 (7)	0.60 (3)
F32	0.6168 (9)	0.8126 (5)	0.380 (2)	0.073 (7)	0.60 (3)
F33	0.5767 (9)	0.7495 (4)	0.448 (2)	0.060 (7)	0.60 (3)
F34	0.6493 (9)	0.8229 (5)	0.617 (2)	0.074 (7)	0.60 (3)
F35	0.6710 (9)	0.7606 (5)	0.495 (2)	0.073 (8)	0.60 (3)
F36	0.5535 (8)	0.8109 (5)	0.575 (2)	0.079 (7)	0.60 (3)
P41	0.6440 (11)	0.7871 (5)	0.603 (3)	0.075 (7)	0.40 (3)
F41	0.6514 (16)	0.8173 (8)	0.460 (3)	0.099 (12)	0.40 (3)
F42	0.6372 (14)	0.7552 (8)	0.744 (3)	0.081 (11)	0.40 (3)
F43	0.5929 (17)	0.8165 (10)	0.661 (4)	0.117 (14)	0.40 (3)
F44	0.6956 (12)	0.7558 (9)	0.542 (4)	0.083 (13)	0.40 (3)
F45	0.5980 (13)	0.7583 (11)	0.511 (4)	0.101 (15)	0.40 (3)
F46	0.6917 (17)	0.8142 (9)	0.690 (4)	0.127 (14)	0.40 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Re1	0.0269 (3)	0.0322 (3)	0.0325 (3)	−0.0027 (3)	0.0100 (3)	−0.0011 (3)
Ru1	0.0228 (5)	0.0233 (5)	0.0217 (5)	0.0031 (5)	0.0064 (4)	0.0015 (4)
As1	0.0212 (7)	0.0295 (8)	0.0233 (7)	0.0040 (6)	0.0006 (6)	−0.0002 (6)
As2	0.0266 (8)	0.0252 (7)	0.0231 (7)	0.0049 (7)	−0.0022 (6)	0.0005 (6)
As3	0.0343 (9)	0.0299 (8)	0.0294 (8)	0.0075 (7)	0.0055 (6)	0.0061 (6)
As4	0.0314 (8)	0.0278 (8)	0.0312 (7)	−0.0044 (7)	0.0088 (6)	−0.0010 (6)
Cl1	0.037 (2)	0.046 (2)	0.034 (2)	0.0072 (19)	0.0161 (16)	0.0032 (16)
O1	0.060 (8)	0.055 (7)	0.043 (6)	−0.002 (6)	−0.007 (6)	0.007 (6)
O2	0.055 (8)	0.063 (8)	0.085 (9)	−0.018 (7)	0.006 (6)	−0.029 (7)
O3	0.067 (8)	0.088 (9)	0.028 (6)	−0.011 (7)	0.034 (6)	−0.007 (6)
N1	0.022 (6)	0.028 (6)	0.009 (5)	−0.002 (5)	0.005 (4)	0.005 (4)
N2	0.035 (7)	0.026 (6)	0.033 (6)	0.010 (6)	0.010 (5)	0.003 (5)
N3	0.028 (7)	0.030 (7)	0.032 (7)	0.010 (6)	0.019 (5)	0.003 (5)
N4	0.012 (6)	0.039 (7)	0.027 (6)	0.008 (5)	0.006 (5)	0.006 (5)
C1	0.033 (9)	0.072 (11)	0.025 (8)	0.010 (8)	0.012 (6)	0.003 (7)
C2	0.022 (8)	0.055 (10)	0.057 (10)	0.000 (8)	−0.003 (7)	0.003 (8)
C3	0.019 (6)	0.022 (7)	0.035 (7)	0.008 (6)	0.013 (5)	−0.009 (6)
C4	0.039 (9)	0.035 (8)	0.035 (8)	0.000 (8)	0.011 (7)	0.014 (7)
C5	0.030 (9)	0.035 (9)	0.063 (10)	0.025 (8)	0.009 (8)	0.015 (8)
C6	0.045 (9)	0.019 (6)	0.055 (9)	0.002 (7)	0.026 (9)	−0.013 (8)
C7	0.036 (8)	0.049 (9)	0.014 (7)	0.004 (8)	0.001 (6)	−0.005 (6)
C8	0.026 (6)	0.014 (5)	0.018 (5)	0.011 (5)	0.008 (6)	0.003 (6)
C9	0.050 (10)	0.053 (10)	0.030 (8)	−0.005 (9)	−0.006 (7)	−0.001 (7)
C10	0.038 (8)	0.039 (8)	0.052 (10)	−0.002 (7)	0.001 (7)	−0.003 (7)
C11	0.038 (9)	0.054 (10)	0.051 (9)	0.009 (8)	0.000 (8)	0.008 (8)
C12	0.065 (11)	0.040 (9)	0.043 (9)	0.002 (8)	0.000 (8)	0.028 (7)
C13	0.046 (9)	0.022 (7)	0.044 (9)	0.002 (7)	0.028 (8)	0.007 (6)
C14	0.046 (10)	0.027 (8)	0.049 (9)	0.012 (8)	0.018 (7)	0.022 (7)
C15	0.076 (12)	0.023 (8)	0.078 (12)	0.004 (9)	0.030 (12)	0.016 (9)
C16	0.048 (11)	0.065 (12)	0.062 (11)	−0.027 (10)	0.027 (9)	−0.009 (9)
C17	0.015 (7)	0.042 (9)	0.053 (9)	−0.004 (7)	0.012 (7)	0.012 (7)
C18	0.031 (8)	0.022 (7)	0.042 (8)	−0.010 (7)	0.025 (7)	−0.005 (6)
C19	0.076 (12)	0.062 (11)	0.021 (7)	−0.026 (10)	−0.008 (7)	−0.019 (7)
C20	0.031 (9)	0.048 (10)	0.090 (12)	−0.018 (8)	0.017 (9)	−0.005 (9)
C21	0.032 (8)	0.013 (6)	0.035 (7)	−0.008 (6)	0.001 (6)	−0.007 (6)
C22	0.027 (8)	0.039 (8)	0.021 (7)	0.005 (7)	0.007 (6)	−0.004 (7)
C23	0.032 (8)	0.022 (7)	0.022 (7)	0.003 (7)	0.003 (6)	0.003 (6)
C24	0.023 (7)	0.040 (8)	0.015 (6)	−0.004 (7)	0.003 (6)	0.011 (6)
C25	0.024 (8)	0.036 (8)	0.025 (7)	0.005 (7)	0.001 (6)	−0.002 (6)
C26	0.026 (7)	0.032 (7)	0.029 (8)	0.003 (6)	0.005 (6)	0.003 (6)
C27	0.051 (9)	0.009 (6)	0.046 (8)	0.006 (7)	0.029 (7)	0.008 (6)
C28	0.034 (8)	0.034 (8)	0.037 (8)	0.019 (7)	0.022 (7)	0.008 (7)
C29	0.030 (9)	0.030 (8)	0.044 (9)	−0.005 (7)	0.013 (7)	0.000 (7)
C30	0.023 (7)	0.027 (7)	0.038 (8)	0.005 (6)	0.002 (6)	0.003 (6)
C31	0.041 (10)	0.034 (9)	0.048 (10)	0.006 (8)	0.029 (8)	−0.005 (7)
C32	0.057 (11)	0.043 (9)	0.037 (9)	0.016 (9)	0.036 (8)	0.011 (8)
C33	0.057 (12)	0.056 (12)	0.055 (11)	0.015 (10)	0.014 (9)	0.015 (9)
C34	0.042 (10)	0.079 (14)	0.038 (9)	0.009 (10)	−0.003 (8)	0.001 (9)
C35	0.032 (9)	0.041 (9)	0.022 (7)	0.016 (8)	0.020 (7)	−0.001 (6)
C36	0.019 (7)	0.054 (9)	0.029 (8)	0.002 (8)	0.015 (7)	−0.018 (7)
C37	0.029 (9)	0.060 (11)	0.051 (10)	−0.002 (9)	−0.005 (7)	−0.009 (8)
C38	0.034 (10)	0.046 (11)	0.102 (15)	0.003 (9)	−0.001 (10)	−0.033 (10)
C39	0.042 (10)	0.042 (9)	0.056 (10)	0.009 (9)	0.017 (8)	−0.002 (8)
C40	0.041 (9)	0.032 (9)	0.043 (8)	0.006 (8)	0.018 (7)	−0.011 (7)
C41	0.033 (9)	0.049 (10)	0.028 (8)	−0.021 (8)	0.000 (7)	0.013 (7)
C42	0.016 (7)	0.045 (9)	0.063 (10)	−0.011 (7)	0.009 (7)	−0.007 (8)
C43	0.046 (10)	0.019 (8)	0.053 (10)	−0.013 (7)	0.025 (8)	−0.002 (7)
O4	0.069 (9)	0.040 (7)	0.100 (9)	0.000 (7)	0.018 (7)	0.000 (7)
C44	0.094 (17)	0.073 (14)	0.076 (14)	−0.014 (13)	0.031 (13)	−0.006 (11)
C45	0.040 (10)	0.030 (9)	0.094 (13)	−0.023 (9)	0.032 (10)	−0.017 (9)
C46	0.065 (13)	0.036 (10)	0.16 (2)	0.009 (10)	−0.014 (13)	−0.017 (11)
O5	0.082 (10)	0.033 (7)	0.144 (12)	0.000 (7)	0.045 (9)	−0.008 (8)
C47	0.109 (18)	0.079 (15)	0.077 (13)	−0.014 (14)	0.002 (13)	0.004 (12)
C48	0.045 (11)	0.040 (10)	0.095 (14)	−0.001 (9)	0.028 (10)	0.006 (10)
C49	0.077 (13)	0.060 (11)	0.114 (15)	0.025 (11)	−0.036 (14)	0.000 (13)
P11	0.077 (6)	0.052 (5)	0.059 (5)	−0.023 (4)	0.033 (4)	−0.008 (4)
F11	0.24 (2)	0.052 (8)	0.135 (12)	−0.068 (11)	0.080 (12)	−0.029 (8)
F12	0.090 (12)	0.078 (9)	0.091 (10)	0.031 (9)	−0.004 (9)	−0.024 (8)
F13	0.152 (15)	0.059 (8)	0.060 (8)	−0.042 (9)	−0.002 (8)	0.018 (6)
F14	0.061 (9)	0.066 (9)	0.100 (10)	−0.020 (7)	0.008 (7)	0.019 (7)
F15	0.070 (9)	0.109 (12)	0.141 (14)	0.006 (9)	0.040 (10)	0.035 (10)
F16	0.086 (10)	0.173 (17)	0.101 (13)	−0.036 (10)	−0.033 (9)	0.050 (12)
P21	0.060 (19)	0.029 (16)	0.051 (18)	−0.017 (12)	0.018 (11)	0.007 (12)
F21	0.07 (2)	0.06 (2)	0.07 (2)	−0.019 (16)	0.006 (15)	−0.006 (16)
F22	0.05 (2)	0.044 (17)	0.042 (19)	0.009 (15)	0.001 (14)	0.001 (14)
F23	0.06 (2)	0.06 (2)	0.07 (2)	0.007 (16)	−0.007 (15)	0.001 (16)
F24	0.07 (2)	0.047 (18)	0.08 (2)	0.005 (15)	−0.004 (15)	−0.004 (15)
F25	0.064 (19)	0.09 (2)	0.07 (2)	0.001 (15)	0.021 (16)	−0.003 (15)
F26	0.061 (19)	0.05 (2)	0.07 (2)	−0.003 (14)	0.022 (16)	−0.016 (15)
P31	0.086 (10)	0.028 (5)	0.086 (9)	−0.006 (6)	0.053 (8)	−0.002 (6)
F31	0.091 (16)	0.038 (10)	0.075 (13)	−0.019 (11)	0.028 (12)	0.014 (9)
F32	0.092 (14)	0.031 (8)	0.096 (13)	0.008 (9)	0.034 (13)	0.004 (10)
F33	0.086 (15)	0.014 (7)	0.081 (14)	−0.002 (9)	0.036 (11)	0.003 (8)
F34	0.087 (16)	0.022 (10)	0.113 (17)	−0.020 (10)	0.026 (14)	−0.019 (9)
F35	0.082 (17)	0.026 (10)	0.111 (15)	−0.002 (10)	0.047 (14)	0.011 (10)
F36	0.083 (14)	0.051 (11)	0.102 (15)	0.006 (10)	0.044 (12)	−0.009 (10)
P41	0.103 (16)	0.030 (8)	0.092 (13)	0.020 (10)	0.031 (11)	0.010 (8)
F41	0.12 (3)	0.051 (17)	0.13 (3)	−0.005 (18)	0.03 (2)	0.036 (19)
F42	0.09 (2)	0.058 (17)	0.09 (2)	0.018 (18)	0.013 (18)	0.019 (15)
F43	0.16 (3)	0.10 (2)	0.09 (2)	0.07 (2)	0.04 (2)	0.021 (18)
F44	0.041 (18)	0.07 (2)	0.14 (3)	0.014 (15)	0.026 (18)	0.006 (19)
F45	0.07 (2)	0.11 (3)	0.13 (3)	0.03 (2)	0.00 (2)	0.05 (2)
F46	0.14 (3)	0.10 (2)	0.14 (3)	−0.03 (2)	−0.03 (2)	−0.01 (2)

Geometric parameters (Å, º)

Re1—C42	1.928 (15)	C20—H20C	0.98
Re1—C41	1.937 (16)	C21—C22	1.375 (16)
Re1—C43	1.947 (14)	C21—H21	0.95
Re1—N4	2.169 (11)	C22—C23	1.376 (16)
Re1—N3	2.176 (11)	C22—H22	0.95
Re1—N2	2.185 (10)	C23—C24	1.372 (16)
Ru1—N1	2.117 (9)	C23—C26	1.507 (17)
Ru1—As1	2.4162 (16)	C24—C25	1.374 (16)
Ru1—As3	2.4206 (17)	C24—H24	0.95
Ru1—As2	2.4215 (17)	C25—H25	0.95
Ru1—As4	2.4243 (17)	C26—C27	1.371 (16)
Ru1—Cl1	2.424 (3)	C26—C30	1.375 (17)
As1—C2	1.944 (12)	C27—C28	1.414 (16)
As1—C1	1.955 (12)	C27—H27	0.95
As1—C3	1.967 (12)	C28—H28	0.95
As2—C9	1.897 (12)	C29—C30	1.417 (17)
As2—C10	1.955 (12)	C29—H29	0.95
As2—C8	1.973 (10)	C30—H30	0.95
As3—C12	1.923 (13)	C31—C32	1.374 (19)
As3—C11	1.943 (13)	C31—H31	0.95
As3—C13	1.955 (13)	C32—C33	1.40 (2)
As4—C20	1.952 (12)	C32—H32	0.95
As4—C18	1.962 (13)	C33—C34	1.33 (2)
As4—C19	1.965 (12)	C33—H33	0.95
O1—C41	1.149 (16)	C34—C35	1.38 (2)
O2—C42	1.116 (15)	C34—H34	0.95
O3—C43	1.156 (15)	C35—C36	1.48 (2)
N1—C25	1.343 (15)	C36—C37	1.380 (19)
N1—C21	1.348 (15)	C37—C38	1.39 (2)
N2—C28	1.315 (16)	C37—H37	0.95
N2—C29	1.362 (16)	C38—C39	1.35 (2)
N3—C31	1.299 (16)	C38—H38	0.95
N3—C35	1.367 (17)	C39—C40	1.350 (19)
N4—C40	1.315 (16)	C39—H39	0.95
N4—C36	1.372 (16)	C40—H40	0.95
C1—H1A	0.98	O4—C45	1.202 (19)
C1—H1B	0.98	C44—C45	1.46 (2)
C1—H1C	0.98	C44—H44A	0.98
C2—H2A	0.98	C44—H44B	0.98
C2—H2B	0.98	C44—H44C	0.98
C2—H2C	0.98	C45—C46	1.49 (2)
C3—C8	1.362 (16)	C46—H46A	0.98
C3—C4	1.370 (17)	C46—H46B	0.98
C4—C5	1.36 (2)	C46—H46C	0.98
C4—H4	0.95	O5—C48	1.202 (17)
C5—C6	1.379 (19)	C47—C48	1.50 (2)
C5—H5	0.95	C47—H47A	0.98
C6—C7	1.365 (17)	C47—H47B	0.98
C6—H6	0.95	C47—H47C	0.98
C7—C8	1.410 (16)	C48—C49	1.48 (2)
C7—H7	0.95	C49—H49A	0.98
C9—H9A	0.98	C49—H49B	0.98
C9—H9B	0.98	C49—H49C	0.98
C9—H9C	0.98	P11—F11	1.543 (13)
C10—H10A	0.98	P11—F13	1.553 (12)
C10—H10B	0.98	P11—F16	1.573 (13)
C10—H10C	0.98	P11—F12	1.580 (12)
C11—H11A	0.98	P11—F15	1.586 (13)
C11—H11B	0.98	P11—F14	1.622 (12)
C11—H11C	0.98	P21—F25	1.56 (2)
C12—H12A	0.98	P21—F22	1.57 (2)
C12—H12B	0.98	P21—F24	1.58 (2)
C12—H12C	0.98	P21—F26	1.58 (2)
C13—C18	1.367 (18)	P21—F21	1.59 (2)
C13—C14	1.386 (17)	P21—F23	1.59 (2)
C14—C15	1.41 (2)	P31—F32	1.560 (15)
C14—H14	0.95	P31—F34	1.578 (15)
C15—C16	1.35 (2)	P31—F36	1.579 (15)
C15—H15	0.95	P31—F35	1.585 (16)
C16—C17	1.41 (2)	P31—F33	1.586 (16)
C16—H16	0.95	P31—F31	1.612 (16)
C17—C18	1.395 (17)	P41—F43	1.553 (19)
C17—H17	0.95	P41—F46	1.56 (2)
C19—H19A	0.98	P41—F41	1.577 (19)
C19—H19B	0.98	P41—F42	1.582 (19)
C19—H19C	0.98	P41—F45	1.59 (2)
C20—H20A	0.98	P41—F44	1.610 (19)
C20—H20B	0.98
C42—Re1—C41	86.8 (6)	C22—C21—H21	118.2
C42—Re1—C43	84.0 (6)	C21—C22—C23	119.4 (12)
C41—Re1—C43	86.0 (6)	C21—C22—H22	120.3
C42—Re1—N4	174.2 (5)	C23—C22—H22	120.3
C41—Re1—N4	98.9 (5)	C24—C23—C22	117.8 (12)
C43—Re1—N4	97.6 (5)	C24—C23—C26	122.5 (11)
C42—Re1—N3	98.2 (5)	C22—C23—C26	119.7 (11)
C41—Re1—N3	173.5 (5)	C23—C24—C25	120.0 (12)
C43—Re1—N3	98.6 (5)	C23—C24—H24	120
N4—Re1—N3	76.1 (4)	C25—C24—H24	120
C42—Re1—N2	95.4 (5)	N1—C25—C24	123.2 (12)
C41—Re1—N2	93.2 (5)	N1—C25—H25	118.4
C43—Re1—N2	179.0 (6)	C24—C25—H25	118.4
N4—Re1—N2	83.1 (4)	C27—C26—C30	117.8 (11)
N3—Re1—N2	82.2 (4)	C27—C26—C23	121.6 (11)
N1—Ru1—As1	93.4 (3)	C30—C26—C23	120.4 (11)
N1—Ru1—As3	91.8 (3)	C26—C27—C28	119.1 (11)
As1—Ru1—As3	174.67 (6)	C26—C27—H27	120.4
N1—Ru1—As2	92.0 (3)	C28—C27—H27	120.4
As1—Ru1—As2	84.65 (5)	N2—C28—C27	123.3 (12)
As3—Ru1—As2	94.31 (6)	N2—C28—H28	118.4
N1—Ru1—As4	92.9 (3)	C27—C28—H28	118.4
As1—Ru1—As4	96.10 (6)	N2—C29—C30	120.3 (12)
As3—Ru1—As4	84.49 (6)	N2—C29—H29	119.8
As2—Ru1—As4	175.01 (6)	C30—C29—H29	119.8
N1—Ru1—Cl1	178.5 (3)	C26—C30—C29	120.7 (12)
As1—Ru1—Cl1	86.41 (9)	C26—C30—H30	119.6
As3—Ru1—Cl1	88.31 (9)	C29—C30—H30	119.6
As2—Ru1—Cl1	86.51 (10)	N3—C31—C32	125.5 (15)
As4—Ru1—Cl1	88.61 (10)	N3—C31—H31	117.3
C2—As1—C1	100.8 (6)	C32—C31—H31	117.3
C2—As1—C3	103.4 (5)	C31—C32—C33	116.3 (15)
C1—As1—C3	100.0 (6)	C31—C32—H32	121.8
C2—As1—Ru1	118.8 (5)	C33—C32—H32	121.8
C1—As1—Ru1	121.4 (4)	C34—C33—C32	119.3 (16)
C3—As1—Ru1	109.6 (4)	C34—C33—H33	120.3
C9—As2—C10	100.3 (6)	C32—C33—H33	120.3
C9—As2—C8	103.1 (6)	C33—C34—C35	121.3 (17)
C10—As2—C8	101.6 (5)	C33—C34—H34	119.4
C9—As2—Ru1	118.9 (5)	C35—C34—H34	119.4
C10—As2—Ru1	122.0 (4)	N3—C35—C34	119.7 (14)
C8—As2—Ru1	108.2 (3)	N3—C35—C36	115.7 (12)
C12—As3—C11	100.9 (7)	C34—C35—C36	124.6 (15)
C12—As3—C13	102.3 (6)	N4—C36—C37	119.5 (14)
C11—As3—C13	101.0 (6)	N4—C36—C35	116.2 (12)
C12—As3—Ru1	120.0 (4)	C37—C36—C35	124.3 (14)
C11—As3—Ru1	120.6 (4)	C36—C37—C38	120.6 (15)
C13—As3—Ru1	109.1 (4)	C36—C37—H37	119.7
C20—As4—C18	104.0 (6)	C38—C37—H37	119.7
C20—As4—C19	100.0 (7)	C39—C38—C37	117.4 (15)
C18—As4—C19	101.7 (6)	C39—C38—H38	121.3
C20—As4—Ru1	120.2 (5)	C37—C38—H38	121.3
C18—As4—Ru1	107.1 (4)	C40—C39—C38	120.3 (15)
C19—As4—Ru1	121.3 (4)	C40—C39—H39	119.8
C25—N1—C21	116.1 (10)	C38—C39—H39	119.8
C25—N1—Ru1	121.5 (8)	N4—C40—C39	123.8 (14)
C21—N1—Ru1	121.8 (8)	N4—C40—H40	118.1
C28—N2—C29	118.5 (11)	C39—C40—H40	118.1
C28—N2—Re1	120.2 (9)	O1—C41—Re1	177.0 (13)
C29—N2—Re1	120.6 (9)	O2—C42—Re1	179.5 (15)
C31—N3—C35	117.8 (13)	O3—C43—Re1	174.8 (13)
C31—N3—Re1	126.2 (11)	C45—C44—H44A	109.5
C35—N3—Re1	115.7 (9)	C45—C44—H44B	109.5
C40—N4—C36	118.4 (12)	H44A—C44—H44B	109.5
C40—N4—Re1	125.9 (9)	C45—C44—H44C	109.5
C36—N4—Re1	115.5 (9)	H44A—C44—H44C	109.5
As1—C1—H1A	109.5	H44B—C44—H44C	109.5
As1—C1—H1B	109.5	O4—C45—C44	122.1 (16)
H1A—C1—H1B	109.5	O4—C45—C46	122.6 (18)
As1—C1—H1C	109.5	C44—C45—C46	115.3 (17)
H1A—C1—H1C	109.5	C45—C46—H46A	109.5
H1B—C1—H1C	109.5	C45—C46—H46B	109.5
As1—C2—H2A	109.5	H46A—C46—H46B	109.5
As1—C2—H2B	109.5	C45—C46—H46C	109.5
H2A—C2—H2B	109.5	H46A—C46—H46C	109.5
As1—C2—H2C	109.5	H46B—C46—H46C	109.5
H2A—C2—H2C	109.5	C48—C47—H47A	109.5
H2B—C2—H2C	109.5	C48—C47—H47B	109.5
C8—C3—C4	119.8 (12)	H47A—C47—H47B	109.5
C8—C3—As1	117.5 (9)	C48—C47—H47C	109.5
C4—C3—As1	122.6 (10)	H47A—C47—H47C	109.5
C5—C4—C3	121.0 (13)	H47B—C47—H47C	109.5
C5—C4—H4	119.5	O5—C48—C49	121.4 (19)
C3—C4—H4	119.5	O5—C48—C47	123.9 (19)
C4—C5—C6	119.4 (13)	C49—C48—C47	114.6 (15)
C4—C5—H5	120.3	C48—C49—H49A	109.5
C6—C5—H5	120.3	C48—C49—H49B	109.5
C7—C6—C5	121.0 (12)	H49A—C49—H49B	109.5
C7—C6—H6	119.5	C48—C49—H49C	109.5
C5—C6—H6	119.5	H49A—C49—H49C	109.5
C6—C7—C8	118.5 (12)	H49B—C49—H49C	109.5
C6—C7—H7	120.8	F11—P11—F13	90.7 (8)
C8—C7—H7	120.8	F11—P11—F16	90.3 (9)
C3—C8—C7	120.2 (11)	F13—P11—F16	93.3 (9)
C3—C8—As2	120.0 (9)	F11—P11—F12	178.7 (10)
C7—C8—As2	119.8 (9)	F13—P11—F12	90.5 (8)
As2—C9—H9A	109.5	F16—P11—F12	90.0 (9)
As2—C9—H9B	109.5	F11—P11—F15	90.3 (9)
H9A—C9—H9B	109.5	F13—P11—F15	90.3 (8)
As2—C9—H9C	109.5	F16—P11—F15	176.3 (10)
H9A—C9—H9C	109.5	F12—P11—F15	89.3 (8)
H9B—C9—H9C	109.5	F11—P11—F14	89.5 (8)
As2—C10—H10A	109.5	F13—P11—F14	178.2 (10)
As2—C10—H10B	109.5	F16—P11—F14	88.5 (8)
H10A—C10—H10B	109.5	F12—P11—F14	89.2 (7)
As2—C10—H10C	109.5	F15—P11—F14	87.9 (8)
H10A—C10—H10C	109.5	F25—P21—F22	91.1 (17)
H10B—C10—H10C	109.5	F25—P21—F24	90.7 (17)
As3—C11—H11A	109.5	F22—P21—F24	90.4 (17)
As3—C11—H11B	109.5	F25—P21—F26	178 (2)
H11A—C11—H11B	109.5	F22—P21—F26	90.8 (17)
As3—C11—H11C	109.5	F24—P21—F26	90.7 (17)
H11A—C11—H11C	109.5	F25—P21—F21	89.3 (17)
H11B—C11—H11C	109.5	F22—P21—F21	179 (2)
As3—C12—H12A	109.5	F24—P21—F21	90.1 (17)
As3—C12—H12B	109.5	F26—P21—F21	88.8 (17)
H12A—C12—H12B	109.5	F25—P21—F23	89.7 (17)
As3—C12—H12C	109.5	F22—P21—F23	90.1 (17)
H12A—C12—H12C	109.5	F24—P21—F23	179 (2)
H12B—C12—H12C	109.5	F26—P21—F23	88.8 (17)
C18—C13—C14	122.2 (13)	F21—P21—F23	89.4 (17)
C18—C13—As3	116.9 (10)	F32—P31—F34	90.8 (9)
C14—C13—As3	120.8 (12)	F32—P31—F36	91.0 (10)
C13—C14—C15	117.5 (15)	F34—P31—F36	90.3 (9)
C13—C14—H14	121.2	F32—P31—F35	91.5 (9)
C15—C14—H14	121.2	F34—P31—F35	90.6 (11)
C16—C15—C14	121.5 (15)	F36—P31—F35	177.3 (11)
C16—C15—H15	119.2	F32—P31—F33	89.7 (10)
C14—C15—H15	119.2	F34—P31—F33	178.8 (12)
C15—C16—C17	119.8 (15)	F36—P31—F33	90.7 (10)
C15—C16—H16	120.1	F35—P31—F33	88.3 (10)
C17—C16—H16	120.1	F32—P31—F31	178.9 (13)
C18—C17—C16	119.6 (14)	F34—P31—F31	90.2 (10)
C18—C17—H17	120.2	F36—P31—F31	88.6 (9)
C16—C17—H17	120.2	F35—P31—F31	88.9 (10)
C13—C18—C17	119.1 (13)	F33—P31—F31	89.2 (9)
C13—C18—As4	120.8 (10)	F43—P41—F46	93.0 (14)
C17—C18—As4	120.0 (11)	F43—P41—F41	89.9 (13)
As4—C19—H19A	109.5	F46—P41—F41	90.2 (14)
As4—C19—H19B	109.5	F43—P41—F42	91.9 (13)
H19A—C19—H19B	109.5	F46—P41—F42	90.9 (14)
As4—C19—H19C	109.5	F41—P41—F42	177.8 (17)
H19A—C19—H19C	109.5	F43—P41—F45	89.8 (15)
H19B—C19—H19C	109.5	F46—P41—F45	177.1 (17)
As4—C20—H20A	109.5	F41—P41—F45	89.1 (14)
As4—C20—H20B	109.5	F42—P41—F45	89.7 (14)
H20A—C20—H20B	109.5	F43—P41—F44	178.6 (18)
As4—C20—H20C	109.5	F46—P41—F44	88.4 (14)
H20A—C20—H20C	109.5	F41—P41—F44	90.3 (14)
H20B—C20—H20C	109.5	F42—P41—F44	87.9 (13)
N1—C21—C22	123.5 (12)	F45—P41—F44	88.7 (14)
N1—C21—H21	118.2
N1—Ru1—As1—C2	−148.2 (6)	Ru1—As1—C3—C8	−2.2 (10)
As3—Ru1—As1—C2	41.2 (9)	C2—As1—C3—C4	54.6 (11)
As2—Ru1—As1—C2	120.2 (5)	C1—As1—C3—C4	−49.1 (11)
As4—Ru1—As1—C2	−54.9 (5)	Ru1—As1—C3—C4	−177.8 (9)
Cl1—Ru1—As1—C2	33.3 (5)	C8—C3—C4—C5	2.9 (19)
N1—Ru1—As1—C1	−22.2 (6)	As1—C3—C4—C5	178.4 (10)
As3—Ru1—As1—C1	167.1 (8)	C3—C4—C5—C6	−1 (2)
As2—Ru1—As1—C1	−113.9 (5)	C4—C5—C6—C7	−1 (2)
As4—Ru1—As1—C1	71.0 (5)	C5—C6—C7—C8	2.3 (19)
Cl1—Ru1—As1—C1	159.3 (5)	C4—C3—C8—C7	−1.7 (17)
N1—Ru1—As1—C3	93.4 (4)	As1—C3—C8—C7	−177.4 (8)
As3—Ru1—As1—C3	−77.2 (8)	C4—C3—C8—As2	177.0 (9)
As2—Ru1—As1—C3	1.7 (4)	As1—C3—C8—As2	1.3 (12)
As4—Ru1—As1—C3	−173.3 (3)	C6—C7—C8—C3	−0.9 (17)
Cl1—Ru1—As1—C3	−85.1 (4)	C6—C7—C8—As2	−179.6 (9)
N1—Ru1—As2—C9	148.5 (6)	C9—As2—C8—C3	127.1 (10)
As1—Ru1—As2—C9	−118.2 (5)	C10—As2—C8—C3	−129.3 (10)
As3—Ru1—As2—C9	56.5 (5)	Ru1—As2—C8—C3	0.2 (10)
As4—Ru1—As2—C9	−19.4 (10)	C9—As2—C8—C7	−54.2 (10)
Cl1—Ru1—As2—C9	−31.5 (5)	C10—As2—C8—C7	49.4 (10)
N1—Ru1—As2—C10	22.6 (5)	Ru1—As2—C8—C7	178.9 (8)
As1—Ru1—As2—C10	115.8 (5)	C12—As3—C13—C18	−120.3 (10)
As3—Ru1—As2—C10	−69.4 (5)	C11—As3—C13—C18	135.8 (10)
As4—Ru1—As2—C10	−145.4 (9)	Ru1—As3—C13—C18	7.8 (10)
Cl1—Ru1—As2—C10	−157.4 (5)	C12—As3—C13—C14	57.0 (11)
N1—Ru1—As2—C8	−94.5 (4)	C11—As3—C13—C14	−46.8 (11)
As1—Ru1—As2—C8	−1.2 (3)	Ru1—As3—C13—C14	−174.8 (9)
As3—Ru1—As2—C8	173.6 (3)	C18—C13—C14—C15	−5.4 (19)
As4—Ru1—As2—C8	97.6 (8)	As3—C13—C14—C15	177.4 (10)
Cl1—Ru1—As2—C8	85.5 (4)	C13—C14—C15—C16	5 (2)
N1—Ru1—As3—C12	−160.2 (6)	C14—C15—C16—C17	−2 (2)
As1—Ru1—As3—C12	10.5 (9)	C15—C16—C17—C18	−1 (2)
As2—Ru1—As3—C12	−68.0 (5)	C14—C13—C18—C17	3.4 (19)
As4—Ru1—As3—C12	107.1 (5)	As3—C13—C18—C17	−179.3 (9)
Cl1—Ru1—As3—C12	18.3 (5)	C14—C13—C18—As4	−175.9 (9)
N1—Ru1—As3—C11	−33.6 (6)	As3—C13—C18—As4	1.4 (14)
As1—Ru1—As3—C11	137.0 (9)	C16—C17—C18—C13	−0.3 (19)
As2—Ru1—As3—C11	58.5 (5)	C16—C17—C18—As4	178.9 (10)
As4—Ru1—As3—C11	−126.4 (5)	C20—As4—C18—C13	118.4 (11)
Cl1—Ru1—As3—C11	144.9 (5)	C19—As4—C18—C13	−138.1 (11)
N1—Ru1—As3—C13	82.4 (5)	Ru1—As4—C18—C13	−9.9 (11)
As1—Ru1—As3—C13	−107.0 (8)	C20—As4—C18—C17	−60.8 (11)
As2—Ru1—As3—C13	174.5 (4)	C19—As4—C18—C17	42.7 (11)
As4—Ru1—As3—C13	−10.3 (4)	Ru1—As4—C18—C17	170.9 (9)
Cl1—Ru1—As3—C13	−99.1 (4)	C25—N1—C21—C22	−0.5 (17)
N1—Ru1—As4—C20	160.9 (6)	Ru1—N1—C21—C22	171.2 (9)
As1—Ru1—As4—C20	67.1 (6)	N1—C21—C22—C23	0.6 (19)
As3—Ru1—As4—C20	−107.6 (6)	C21—C22—C23—C24	1.1 (18)
As2—Ru1—As4—C20	−31.2 (10)	C21—C22—C23—C26	177.3 (11)
Cl1—Ru1—As4—C20	−19.1 (6)	C22—C23—C24—C25	−2.9 (18)
N1—Ru1—As4—C18	−81.0 (4)	C26—C23—C24—C25	−179.0 (11)
As1—Ru1—As4—C18	−174.7 (4)	C21—N1—C25—C24	−1.4 (17)
As3—Ru1—As4—C18	10.6 (4)	Ru1—N1—C25—C24	−173.1 (9)
As2—Ru1—As4—C18	87.0 (9)	C23—C24—C25—N1	3.2 (19)
Cl1—Ru1—As4—C18	99.0 (4)	C24—C23—C26—C27	−173.7 (12)
N1—Ru1—As4—C19	34.8 (6)	C22—C23—C26—C27	10.2 (19)
As1—Ru1—As4—C19	−58.9 (6)	C24—C23—C26—C30	10.4 (19)
As3—Ru1—As4—C19	126.4 (6)	C22—C23—C26—C30	−165.7 (12)
As2—Ru1—As4—C19	−157.3 (9)	C30—C26—C27—C28	6.6 (19)
Cl1—Ru1—As4—C19	−145.2 (6)	C23—C26—C27—C28	−169.3 (12)
As1—Ru1—N1—C25	−47.9 (9)	C29—N2—C28—C27	1 (2)
As3—Ru1—N1—C25	131.2 (9)	Re1—N2—C28—C27	171.8 (10)
As2—Ru1—N1—C25	36.9 (9)	C26—C27—C28—N2	−5 (2)
As4—Ru1—N1—C25	−144.2 (9)	C28—N2—C29—C30	1 (2)
As1—Ru1—N1—C21	140.9 (9)	Re1—N2—C29—C30	−169.4 (9)
As3—Ru1—N1—C21	−40.0 (9)	C27—C26—C30—C29	−4.5 (19)
As2—Ru1—N1—C21	−134.3 (9)	C23—C26—C30—C29	171.6 (12)
As4—Ru1—N1—C21	44.6 (9)	N2—C29—C30—C26	0.5 (19)
C42—Re1—N2—C28	−47.1 (11)	C35—N3—C31—C32	−2.7 (19)
C41—Re1—N2—C28	−134.1 (11)	Re1—N3—C31—C32	170.6 (9)
N4—Re1—N2—C28	127.4 (11)	N3—C31—C32—C33	1 (2)
N3—Re1—N2—C28	50.5 (11)	C31—C32—C33—C34	0 (2)
C42—Re1—N2—C29	123.4 (11)	C32—C33—C34—C35	0 (2)
C41—Re1—N2—C29	36.4 (11)	C31—N3—C35—C34	2.8 (18)
N4—Re1—N2—C29	−62.2 (10)	Re1—N3—C35—C34	−171.2 (10)
N3—Re1—N2—C29	−139.0 (11)	C31—N3—C35—C36	−178.2 (11)
C42—Re1—N3—C31	−2.4 (11)	Re1—N3—C35—C36	7.8 (13)
C43—Re1—N3—C31	82.7 (11)	C33—C34—C35—N3	−2 (2)
N4—Re1—N3—C31	178.5 (11)	C33—C34—C35—C36	179.4 (13)
N2—Re1—N3—C31	−96.7 (11)	C40—N4—C36—C37	−0.2 (17)
C42—Re1—N3—C35	171.0 (9)	Re1—N4—C36—C37	176.0 (9)
C43—Re1—N3—C35	−103.8 (9)	C40—N4—C36—C35	178.3 (11)
N4—Re1—N3—C35	−8.0 (8)	Re1—N4—C36—C35	−5.4 (13)
N2—Re1—N3—C35	76.7 (8)	N3—C35—C36—N4	−1.6 (15)
C41—Re1—N4—C40	7.2 (11)	C34—C35—C36—N4	177.4 (12)
C43—Re1—N4—C40	−79.9 (11)	N3—C35—C36—C37	176.9 (11)
N3—Re1—N4—C40	−177.0 (11)	C34—C35—C36—C37	−4 (2)
N2—Re1—N4—C40	99.3 (10)	N4—C36—C37—C38	−1 (2)
C41—Re1—N4—C36	−168.7 (8)	C35—C36—C37—C38	−179.4 (13)
C43—Re1—N4—C36	104.2 (9)	C36—C37—C38—C39	1 (2)
N3—Re1—N4—C36	7.1 (8)	C37—C38—C39—C40	−1 (2)
N2—Re1—N4—C36	−76.6 (8)	C36—N4—C40—C39	1.1 (19)
C2—As1—C3—C8	−129.8 (9)	Re1—N4—C40—C39	−174.7 (10)
C1—As1—C3—C8	126.4 (9)	C38—C39—C40—N4	−1 (2)