supplementary materials


im2412 scheme

Acta Cryst. (2013). E69, m28    [ doi:10.1107/S1600536812049513 ]

([eta]6-p-Cymene)(1,3-dimesityl-2,3-dihydro-1H-imidazol-2-ylidene)bis(pentafluorobenzoato-[kappa]O)ruthenium(II) dichloromethane disolvate

K. Dorst, W. Frey, D. Wang and M. Buchmeiser

Abstract top

The title compound, [Ru(C7F5O2)2(C10H14)(C21H24N2)]·2CH2Cl2, is formed as an orange crystalline powder by the reaction of RuCl2(p-cymene)(IMes) and AgOCOC6F5 in anhydrous tetrahydrofuran (IMes = 1,3-dimesityl-2,3-dihydro-1H-imidazol-2-ylidene). The asymetric unit consists of two independent [Ru(C6F5COO)2([eta]6-p-cymene)(IMes)] complexes and four dichloromethane solvent molecules. In each complex molecule, the Ru atom presents a pseudo-octahedral environment with the p-cymene ligand occupying three facial coordination sites, while the remaining coordination positions are occupied by the O atoms of the pentafluorobenzoate ligands and by the imidazolylidene ligand.

Comment top

In the last years, the design and synthesis of latent olefin metathesis precatalysts has received considerable attention. Due to their latency, they exhibit no catalytic activity at low (usually ambient) temperature in the presence of monomer or substrate, but can be triggered quantitatively to a highly active form. This activation can be caused by a variety of different stimuli, e.g., light activation to initiate metathesis reactions. Such precatalysts are of particular interest in technical applications of ROMP, since they allow for being mixed with the monomers, its storage over a longer period of time even at elevated temperatures without concomitant polymerization (Buchmeiser et al. 2007, Monsaert et al. 2009). The title compound (Figure 1), an intermediate product for the synthesis of a photo-latent metathesis catalyst, was obtained by the reaction of RuCl2(p-cymene)(IMes) and AgOCOC6F5 in anhydrous THF (IMes = 1,3-dimesityl-2,3-dihydro-1H-imidazol-2-ylidene). It crystallizes in the space group P21/n (Z=8) with accompanying CH2Cl2 solvate molecules. Selected geometric parameters are given in table 1. The structure exhibits a typical three legged piano stool structure with RuII coordinated by one carbon atom of the N-heterocyclic carbene ligand and two oxygen atoms of the pentafluorobenzoate ligands. The coordination geometry around Ru is that of a distorted octahedron in which three sites are occupied by the η6-p-cymene ligand, two by the pentafluorobenzoate ligands and one by the N-heterocyclic carbene. The structure is closely similar to that of recently reported compound Ru(CF3COO)(p-cymene)(IMes) (Zhang et al. 2006).

Related literature top

For general background to latent olefin metathesis catalysts, see: Monsaert et al. (2009). For ring-closing metathesis (RCM) studies of RuII-p-cymene, see: Jafarpour et al. (1999). For related synthetic procedures and structures, see: Zhang et al. (2006); Buchmeiser et al. (2007). For their applications in UV-triggerable-ROMP [define ROMP], see: Wang et al. (2008, 2010).

Experimental top

A solution of silver pentafluorobenzoate (356.9 mg, 1.12 mmol) in 10 ml of anhydrous THF was added to a solution of RuCl2(IMes)(p-cymene) (328.5 mg, 0.54 mmol) in 10 ml of anhydrous THF under stirring. After 4 h the mixture was filtered through a short bed of celite and THF was removed in vacuo. Dichloromethane was added to dissolve the residues and the solution was filtered through glass-fiber paper and concentrated in vacuo. Diethyl ether was layered over the red, saturated CH2Cl2 solution. Red crystals suitable for X-ray analysis formed at -36°C. Yield: 310 mg (60%).

Refinement top

H atoms were located from difference fourier maps, but were refined with fixed individual displacement parameters [Uiso(H) = 1.2 Ueq(C) or U(H) = 1.5 Ueq(C-methyl-)] using a riding model with C—H ranging from 0.95 to 1.0 Å. In addition, the methyl groups were allowed to rotate but not to tip.

Computing details top

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); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 2008); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top
[Figure 1] Fig. 1. Molecular structure of the title molecule with displacement ellipsoids drawn at the 50% probability level. H atoms have been omitted for clarity.
[Figure 2] Fig. 2. A view of the unit-cell contents of the title compound.
(η6-p-Cymene)(1,3-dimesityl-2,3-dihydro-1H-imidazol-2- ylidene)bis(pentafluorobenzoato-κO)ruthenium(II) dichloromethane disolvate top
Crystal data top
[Ru(C7F5O2)2(C10H14)(C21H24N2)]·2CH2Cl2F(000) = 4576
Mr = 1131.70Dx = 1.633 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 16066 reflections
a = 18.0951 (11) Åθ = 1.8–27.5°
b = 22.4608 (14) ŵ = 0.66 mm1
c = 23.4293 (14) ÅT = 100 K
β = 104.782 (3)°Plates, orange
V = 9207.2 (10) Å30.63 × 0.30 × 0.16 mm
Z = 8
Data collection top
Bruker Kappa APEXII DUO
diffractometer
21150 independent reflections
Radiation source: fine-focus sealed tube16066 reflections with I > 2σ(I)
Triumph monochromatorRint = 0.037
ω + Phi Scans scansθmax = 27.5°, θmin = 1.8°
Absorption correction: multi-scan
(Blessing, 1995)
h = 2312
Tmin = 0.653, Tmax = 0.746k = 2629
88410 measured reflectionsl = 3030
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.059Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.164H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.0866P)2 + 19.1814P]
where P = (Fo2 + 2Fc2)/3
21150 reflections(Δ/σ)max = 0.001
1243 parametersΔρmax = 5.08 e Å3
0 restraintsΔρmin = 2.32 e Å3
Crystal data top
[Ru(C7F5O2)2(C10H14)(C21H24N2)]·2CH2Cl2V = 9207.2 (10) Å3
Mr = 1131.70Z = 8
Monoclinic, P21/nMo Kα radiation
a = 18.0951 (11) ŵ = 0.66 mm1
b = 22.4608 (14) ÅT = 100 K
c = 23.4293 (14) Å0.63 × 0.30 × 0.16 mm
β = 104.782 (3)°
Data collection top
Bruker Kappa APEXII DUO
diffractometer
16066 reflections with I > 2σ(I)
Absorption correction: multi-scan
(Blessing, 1995)
Rint = 0.037
Tmin = 0.653, Tmax = 0.746θmax = 27.5°
88410 measured reflectionsStandard reflections: 0
21150 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.059 w = 1/[σ2(Fo2) + (0.0866P)2 + 19.1814P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.164Δρmax = 5.08 e Å3
S = 1.09Δρmin = 2.32 e Å3
21150 reflectionsAbsolute structure: ?
1243 parametersFlack parameter: ?
0 restraintsRogers parameter: ?
H-atom parameters constrained
Special details top

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 (Å2) top
xyzUiso*/Ueq
Ru1A0.211201 (14)0.733381 (14)0.034965 (12)0.01547 (8)
F1A0.19263 (11)0.80651 (10)0.20855 (9)0.0201 (4)
F2A0.22409 (13)0.80990 (11)0.32495 (10)0.0267 (5)
F3A0.37020 (14)0.82051 (11)0.39036 (9)0.0271 (5)
F4A0.48626 (12)0.82406 (11)0.33637 (10)0.0262 (5)
F5A0.45810 (11)0.81535 (11)0.21975 (10)0.0244 (5)
F6A0.33768 (13)0.64401 (11)0.24677 (11)0.0310 (5)
F7A0.33828 (15)0.54675 (13)0.31401 (11)0.0391 (6)
F8A0.29924 (15)0.43914 (12)0.26195 (12)0.0383 (6)
F9A0.26109 (17)0.42970 (12)0.14284 (12)0.0419 (7)
F10A0.25607 (16)0.52702 (11)0.07608 (11)0.0351 (6)
O1A0.24672 (13)0.77272 (11)0.11899 (10)0.0151 (5)
O2A0.35391 (14)0.82194 (12)0.11620 (12)0.0211 (6)
O3A0.22999 (13)0.65765 (12)0.09000 (11)0.0184 (5)
O4A0.35781 (14)0.66912 (13)0.12402 (12)0.0254 (6)
N1A0.07045 (15)0.70974 (13)0.08909 (12)0.0127 (6)
N2A0.06483 (15)0.79737 (13)0.05245 (12)0.0121 (5)
C1A0.10574 (18)0.74578 (16)0.05680 (15)0.0137 (7)
C2A0.01060 (19)0.73846 (16)0.10435 (16)0.0161 (7)
H2A0.02160.72230.12680.019*
C3A0.00678 (18)0.79328 (16)0.08153 (15)0.0150 (7)
H3A0.02870.82360.08450.018*
C4A0.3009 (2)0.70314 (18)0.00775 (16)0.0205 (8)
H4A0.34440.67850.00650.025*
C5A0.3088 (2)0.76397 (18)0.00058 (16)0.0202 (8)
H5A0.35680.78020.02080.024*
C6A0.2451 (2)0.80253 (19)0.02105 (17)0.0260 (9)
C7A0.1747 (2)0.7749 (2)0.05192 (16)0.0316 (11)
H7A0.13180.79950.06810.038*
C8A0.1666 (2)0.7130 (2)0.05920 (17)0.0292 (9)
H8A0.11850.69640.07900.035*
C9A0.2294 (2)0.6757 (2)0.03724 (17)0.0260 (9)
C10A0.2547 (3)0.8678 (2)0.0141 (2)0.0348 (11)
H10A0.27910.87720.02720.052*
H10B0.20460.88710.02590.052*
H10C0.28690.88220.03910.052*
C11A0.2284 (3)0.6079 (2)0.0443 (2)0.0325 (10)
H11A0.26490.59120.00840.039*
C12A0.2608 (3)0.5937 (2)0.0968 (2)0.0459 (13)
H12A0.25910.55060.10360.069*
H12B0.31380.60750.08860.069*
H12C0.23020.61380.13210.069*
C13A0.1524 (3)0.5774 (2)0.0500 (3)0.0459 (13)
H13A0.13440.58550.01480.069*
H13B0.15850.53440.05410.069*
H13C0.11520.59270.08500.069*
C14A0.07930 (19)0.64673 (16)0.10204 (15)0.0164 (7)
C15A0.0405 (2)0.60653 (19)0.05989 (18)0.0281 (9)
C16A0.0422 (3)0.5467 (2)0.0756 (2)0.0350 (10)
H16A0.01670.51850.04720.042*
C17A0.0797 (3)0.52701 (19)0.13108 (19)0.0305 (9)
C18A0.11557 (19)0.56887 (17)0.17216 (16)0.0192 (7)
H18A0.14170.55580.21060.023*
C19A0.11490 (18)0.62901 (16)0.15943 (15)0.0158 (7)
C20A0.0048 (3)0.6271 (2)0.00029 (19)0.0339 (10)
H20A0.04650.65310.00490.051*
H20B0.02620.59260.02380.051*
H20C0.02860.64930.01920.051*
C21A0.0804 (3)0.4620 (2)0.1466 (2)0.0429 (12)
H21A0.03060.44440.12790.064*
H21B0.09090.45760.18950.064*
H21C0.12030.44170.13240.064*
C22A0.1509 (2)0.67352 (18)0.20563 (16)0.0211 (8)
H22A0.17740.65270.24180.032*
H22B0.11120.69940.21390.032*
H22C0.18760.69770.19150.032*
C23A0.06434 (18)0.84920 (15)0.01554 (15)0.0133 (6)
C24A0.10107 (18)0.90065 (16)0.04012 (15)0.0157 (7)
C25A0.0915 (2)0.95158 (17)0.00481 (17)0.0198 (7)
H25A0.11650.98730.02080.024*
C26A0.0469 (2)0.95187 (17)0.05264 (17)0.0191 (7)
C27A0.00898 (19)0.89935 (17)0.07535 (16)0.0186 (7)
H27A0.02240.89900.11460.022*
C28A0.01624 (18)0.84773 (16)0.04166 (15)0.0147 (7)
C29A0.02639 (19)0.79270 (17)0.06700 (16)0.0180 (7)
H29A0.06220.80220.10490.027*
H29B0.05480.77740.03960.027*
H29C0.00990.76240.07300.027*
C30A0.0376 (2)1.00646 (18)0.09032 (19)0.0269 (9)
H30A0.06001.04070.06610.040*
H30B0.01681.01380.10780.040*
H30C0.06371.00070.12180.040*
C31A0.1479 (2)0.90321 (17)0.10271 (17)0.0223 (8)
H31A0.11440.89870.12940.033*
H31B0.17430.94160.11000.033*
H31C0.18570.87100.10980.033*
C32A0.30839 (18)0.80074 (16)0.14130 (15)0.0143 (7)
C33A0.32401 (19)0.80765 (15)0.20791 (15)0.0141 (7)
C34A0.26638 (19)0.80762 (16)0.23782 (16)0.0159 (7)
C35A0.2813 (2)0.81073 (17)0.29843 (16)0.0184 (7)
C36A0.3557 (2)0.81628 (16)0.33167 (15)0.0182 (7)
C37A0.41394 (19)0.81774 (16)0.30390 (16)0.0177 (7)
C38A0.39800 (19)0.81357 (16)0.24320 (16)0.0161 (7)
C39A0.2966 (2)0.64470 (17)0.12117 (16)0.0197 (7)
C40A0.29610 (19)0.58889 (19)0.15947 (17)0.0217 (8)
C41A0.3175 (2)0.59184 (19)0.22004 (17)0.0234 (8)
C42A0.3184 (2)0.5420 (2)0.25526 (17)0.0265 (9)
C43A0.2987 (2)0.4875 (2)0.22897 (19)0.0293 (9)
C44A0.2792 (2)0.48252 (19)0.16859 (19)0.0284 (9)
C45A0.2765 (2)0.53375 (18)0.13436 (18)0.0253 (8)
Ru1B0.216163 (14)0.751183 (12)0.535681 (11)0.01067 (8)
F1B0.33746 (13)0.65939 (11)0.74261 (10)0.0269 (5)
F2B0.34588 (14)0.56074 (13)0.80945 (10)0.0362 (6)
F3B0.31731 (15)0.45214 (12)0.75748 (12)0.0394 (7)
F4B0.28407 (16)0.44301 (11)0.63900 (13)0.0404 (6)
F5B0.26975 (15)0.54057 (11)0.57176 (11)0.0325 (6)
F6B0.19288 (11)0.81864 (10)0.71256 (9)0.0186 (4)
F7B0.22163 (12)0.81990 (10)0.82943 (10)0.0235 (5)
F8B0.36714 (13)0.81805 (11)0.89705 (9)0.0254 (5)
F9B0.48511 (12)0.81307 (12)0.84560 (10)0.0287 (5)
F10B0.45904 (12)0.80537 (12)0.72857 (10)0.0276 (5)
O1B0.23489 (13)0.67194 (11)0.58540 (11)0.0152 (5)
O2B0.36216 (13)0.68584 (12)0.62238 (12)0.0214 (6)
O3B0.24842 (12)0.78394 (11)0.62251 (10)0.0144 (5)
O4B0.35836 (14)0.83282 (12)0.62617 (11)0.0188 (5)
N1B0.06452 (15)0.80710 (13)0.55291 (12)0.0128 (6)
N2B0.07508 (15)0.71824 (13)0.58685 (12)0.0118 (5)
C1B0.10899 (18)0.75737 (15)0.55659 (15)0.0127 (6)
C2B0.00643 (18)0.79907 (17)0.58090 (15)0.0163 (7)
H2B0.03070.82780.58450.020*
C3B0.01232 (18)0.74379 (17)0.60178 (16)0.0165 (7)
H3B0.01990.72530.62280.020*
C4B0.1875 (2)0.80780 (17)0.45545 (15)0.0186 (7)
H4B0.14830.83660.44260.022*
C5B0.1723 (2)0.74728 (18)0.44022 (16)0.0192 (8)
H5B0.12230.73590.41880.023*
C6B0.22997 (19)0.70319 (17)0.45620 (15)0.0178 (7)
C7B0.30300 (18)0.72224 (17)0.49023 (15)0.0157 (7)
H7B0.34300.69390.50180.019*
C8B0.31720 (18)0.78133 (16)0.50697 (15)0.0156 (7)
H8B0.36610.79230.53070.019*
C9B0.2596 (2)0.82594 (16)0.48914 (15)0.0168 (7)
C10B0.2772 (2)0.89004 (17)0.50338 (18)0.0244 (8)
H10D0.30590.90630.47670.037*
H10E0.30770.89370.54430.037*
H10F0.22930.91230.49850.037*
C11B0.2146 (2)0.63985 (19)0.43595 (18)0.0266 (9)
H11B0.17450.62290.45380.032*
C12B0.2846 (3)0.6005 (2)0.4520 (2)0.0389 (11)
H12D0.32480.61750.43580.058*
H12E0.27150.56060.43540.058*
H12F0.30280.59770.49500.058*
C13B0.1843 (4)0.6393 (3)0.3682 (2)0.0581 (17)
H13D0.13500.65990.35690.087*
H13E0.17770.59800.35420.087*
H13F0.22090.65950.35040.087*
C14B0.06306 (18)0.85923 (16)0.51688 (15)0.0146 (7)
C15B0.01518 (19)0.85851 (17)0.45963 (16)0.0171 (7)
C16B0.0105 (2)0.90990 (18)0.42574 (17)0.0211 (8)
H16B0.02130.91000.38660.025*
C17B0.0512 (2)0.96122 (18)0.44769 (18)0.0239 (8)
C18B0.0951 (2)0.96080 (17)0.50537 (18)0.0226 (8)
H18B0.12140.99610.52120.027*
C19B0.10206 (19)0.91061 (16)0.54123 (16)0.0171 (7)
C20B0.02853 (19)0.80376 (17)0.43447 (16)0.0195 (7)
H20D0.06470.81360.39680.029*
H20E0.05660.78870.46220.029*
H20F0.00710.77320.42800.029*
C21B0.0454 (3)1.0153 (2)0.4091 (2)0.0347 (10)
H21D0.07191.04870.43250.052*
H21E0.00861.02550.39300.052*
H21F0.06891.00690.37670.052*
C22B0.1496 (2)0.91242 (17)0.60376 (17)0.0234 (8)
H22D0.11790.90170.63040.035*
H22E0.17010.95260.61310.035*
H22F0.19190.88410.60860.035*
C23B0.08804 (18)0.65534 (15)0.59738 (15)0.0135 (6)
C24B0.06337 (19)0.61648 (17)0.55047 (16)0.0182 (7)
C25B0.0712 (2)0.55586 (18)0.56177 (17)0.0224 (8)
H25B0.05590.52870.52990.027*
C26B0.1006 (2)0.53389 (17)0.61800 (18)0.0220 (8)
C27B0.12249 (19)0.57448 (16)0.66432 (16)0.0173 (7)
H27B0.14110.55990.70340.021*
C28B0.11782 (18)0.63565 (16)0.65504 (15)0.0155 (7)
C29B0.0265 (2)0.6387 (2)0.48910 (17)0.0274 (9)
H29D0.01940.66160.48960.041*
H29E0.01250.60480.46230.041*
H29F0.06260.66430.47560.041*
C30B0.1063 (3)0.46760 (19)0.6284 (2)0.0322 (10)
H30D0.05560.45160.62740.048*
H30E0.14120.45960.66710.048*
H30F0.12590.44860.59760.048*
C31B0.1457 (2)0.67853 (17)0.70486 (16)0.0179 (7)
H31D0.17040.65650.74080.027*
H31E0.10230.70120.71150.027*
H31F0.18260.70600.69490.027*
C32B0.30106 (19)0.65946 (16)0.61778 (15)0.0162 (7)
C33B0.30264 (18)0.60368 (17)0.65504 (16)0.0179 (7)
C34B0.32219 (19)0.60660 (18)0.71560 (17)0.0200 (8)
C35B0.3272 (2)0.5564 (2)0.75062 (17)0.0256 (9)
C36B0.3132 (2)0.50171 (19)0.72432 (19)0.0272 (9)
C37B0.2952 (2)0.49661 (19)0.66437 (19)0.0276 (9)
C38B0.2888 (2)0.54743 (18)0.63013 (17)0.0222 (8)
C39B0.31051 (18)0.80947 (16)0.64793 (15)0.0142 (7)
C40B0.32475 (18)0.81116 (15)0.71470 (15)0.0135 (7)
C41B0.26600 (18)0.81513 (15)0.74324 (15)0.0141 (7)
C42B0.27953 (19)0.81664 (16)0.80398 (16)0.0159 (7)
C43B0.3537 (2)0.81571 (16)0.83817 (15)0.0168 (7)
C44B0.41293 (19)0.81273 (17)0.81215 (16)0.0185 (7)
C45B0.39847 (19)0.80971 (16)0.75135 (16)0.0170 (7)
C1X0.0182 (2)0.85437 (19)0.73301 (18)0.0267 (9)
H1X10.02870.84340.70250.032*
H1X20.06210.85090.71530.032*
Cl10.03067 (7)0.80522 (5)0.79314 (5)0.0377 (3)
Cl20.01052 (6)0.92889 (5)0.75558 (6)0.0388 (3)
C2X0.0223 (2)0.8451 (2)0.23282 (18)0.0266 (9)
H2X10.02550.83010.20590.032*
H2X20.06550.83410.21620.032*
Cl30.03471 (7)0.81259 (7)0.30215 (6)0.0481 (3)
Cl40.01756 (7)0.92300 (6)0.23876 (9)0.0673 (5)
C3X0.0756 (3)0.4518 (2)0.8115 (2)0.0457 (13)
H3X10.05800.48360.83430.055*
H3X20.07670.41390.83320.055*
Cl50.16713 (7)0.46850 (6)0.80490 (6)0.0465 (3)
Cl60.01067 (7)0.44556 (8)0.74007 (6)0.0584 (4)
C4X0.0896 (3)0.4513 (2)0.3654 (2)0.0365 (11)
H4X10.03780.46340.34280.044*
H4X20.08810.40860.37540.044*
Cl70.15538 (6)0.46240 (5)0.32162 (5)0.0386 (3)
Cl80.11683 (9)0.49368 (7)0.43119 (7)0.0575 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru1A0.01035 (13)0.02837 (18)0.00823 (14)0.00618 (10)0.00336 (10)0.00032 (11)
F1A0.0101 (9)0.0323 (13)0.0186 (11)0.0008 (8)0.0049 (8)0.0018 (9)
F2A0.0305 (12)0.0354 (14)0.0210 (12)0.0015 (10)0.0187 (10)0.0000 (10)
F3A0.0377 (13)0.0300 (13)0.0114 (11)0.0018 (10)0.0022 (9)0.0016 (9)
F4A0.0178 (11)0.0308 (13)0.0239 (12)0.0001 (9)0.0061 (9)0.0040 (10)
F5A0.0130 (10)0.0368 (14)0.0247 (12)0.0002 (9)0.0071 (8)0.0020 (10)
F6A0.0294 (12)0.0373 (15)0.0261 (13)0.0079 (10)0.0064 (10)0.0022 (11)
F7A0.0391 (15)0.0571 (19)0.0183 (12)0.0079 (12)0.0022 (10)0.0055 (12)
F8A0.0382 (14)0.0394 (16)0.0371 (15)0.0058 (11)0.0089 (11)0.0201 (12)
F9A0.0625 (18)0.0239 (14)0.0397 (16)0.0080 (12)0.0136 (13)0.0035 (12)
F10A0.0552 (16)0.0267 (14)0.0212 (12)0.0067 (11)0.0059 (11)0.0012 (10)
O1A0.0127 (11)0.0241 (14)0.0094 (11)0.0023 (9)0.0044 (9)0.0003 (10)
O2A0.0215 (13)0.0239 (15)0.0213 (14)0.0029 (10)0.0116 (10)0.0000 (11)
O3A0.0133 (11)0.0254 (14)0.0159 (12)0.0065 (9)0.0027 (9)0.0002 (10)
O4A0.0143 (12)0.0376 (17)0.0233 (14)0.0054 (11)0.0030 (10)0.0040 (12)
N1A0.0109 (12)0.0148 (15)0.0123 (13)0.0012 (10)0.0026 (10)0.0007 (11)
N2A0.0107 (12)0.0165 (15)0.0098 (13)0.0005 (10)0.0042 (10)0.0005 (11)
C1A0.0109 (15)0.0214 (19)0.0074 (15)0.0032 (12)0.0000 (12)0.0006 (13)
C2A0.0127 (15)0.0204 (19)0.0163 (17)0.0004 (12)0.0061 (13)0.0016 (14)
C3A0.0119 (15)0.0200 (19)0.0148 (16)0.0030 (12)0.0063 (12)0.0020 (14)
C4A0.0136 (16)0.036 (2)0.0128 (17)0.0019 (14)0.0062 (13)0.0065 (15)
C5A0.0149 (16)0.036 (2)0.0140 (17)0.0065 (14)0.0113 (13)0.0071 (15)
C6A0.029 (2)0.037 (2)0.0165 (18)0.0167 (17)0.0153 (15)0.0136 (17)
C7A0.0153 (17)0.072 (3)0.0100 (17)0.0208 (19)0.0075 (13)0.0181 (19)
C8A0.0184 (18)0.054 (3)0.0155 (19)0.0003 (17)0.0054 (14)0.0062 (18)
C9A0.0201 (18)0.044 (3)0.0157 (18)0.0023 (16)0.0080 (14)0.0108 (17)
C10A0.042 (2)0.032 (3)0.039 (3)0.0134 (19)0.027 (2)0.015 (2)
C11A0.032 (2)0.036 (3)0.032 (2)0.0026 (18)0.0120 (18)0.0132 (19)
C12A0.055 (3)0.041 (3)0.049 (3)0.001 (2)0.026 (3)0.012 (2)
C13A0.040 (3)0.042 (3)0.058 (3)0.005 (2)0.018 (2)0.010 (3)
C14A0.0170 (16)0.0167 (18)0.0148 (17)0.0034 (12)0.0031 (13)0.0008 (14)
C15A0.036 (2)0.022 (2)0.022 (2)0.0030 (16)0.0018 (16)0.0001 (16)
C16A0.050 (3)0.022 (2)0.027 (2)0.0003 (18)0.0020 (19)0.0052 (18)
C17A0.041 (2)0.020 (2)0.027 (2)0.0023 (17)0.0019 (18)0.0020 (17)
C18A0.0148 (16)0.024 (2)0.0180 (18)0.0028 (13)0.0031 (13)0.0037 (15)
C19A0.0127 (15)0.0229 (19)0.0126 (16)0.0004 (12)0.0049 (12)0.0012 (14)
C20A0.047 (3)0.027 (2)0.022 (2)0.0028 (18)0.0021 (18)0.0026 (18)
C21A0.061 (3)0.020 (2)0.038 (3)0.002 (2)0.004 (2)0.003 (2)
C22A0.0240 (18)0.025 (2)0.0144 (17)0.0025 (14)0.0043 (14)0.0021 (15)
C23A0.0114 (14)0.0155 (17)0.0143 (16)0.0023 (12)0.0058 (12)0.0014 (13)
C24A0.0120 (15)0.0201 (19)0.0154 (17)0.0019 (12)0.0046 (12)0.0027 (14)
C25A0.0162 (16)0.0190 (19)0.025 (2)0.0005 (13)0.0079 (14)0.0004 (15)
C26A0.0180 (17)0.0202 (19)0.0219 (19)0.0045 (13)0.0104 (14)0.0040 (15)
C27A0.0133 (16)0.026 (2)0.0158 (17)0.0046 (13)0.0028 (13)0.0032 (15)
C28A0.0113 (14)0.0189 (18)0.0148 (17)0.0013 (12)0.0051 (12)0.0007 (14)
C29A0.0158 (16)0.023 (2)0.0143 (17)0.0019 (13)0.0024 (13)0.0011 (14)
C30A0.027 (2)0.020 (2)0.035 (2)0.0035 (15)0.0106 (17)0.0094 (17)
C31A0.0243 (18)0.0173 (19)0.0218 (19)0.0019 (14)0.0005 (15)0.0032 (15)
C32A0.0133 (15)0.0178 (18)0.0129 (16)0.0040 (12)0.0056 (12)0.0017 (13)
C33A0.0141 (15)0.0131 (17)0.0159 (17)0.0007 (12)0.0052 (13)0.0004 (13)
C34A0.0138 (15)0.0164 (18)0.0182 (17)0.0022 (12)0.0053 (13)0.0000 (14)
C35A0.0219 (17)0.0187 (19)0.0173 (18)0.0017 (13)0.0099 (14)0.0011 (14)
C36A0.0298 (19)0.0135 (18)0.0111 (16)0.0011 (13)0.0049 (14)0.0002 (13)
C37A0.0157 (16)0.0140 (18)0.0199 (18)0.0015 (12)0.0019 (13)0.0015 (14)
C38A0.0134 (15)0.0151 (18)0.0209 (18)0.0002 (12)0.0064 (13)0.0003 (14)
C39A0.0166 (17)0.024 (2)0.0188 (18)0.0065 (14)0.0057 (13)0.0010 (15)
C40A0.0114 (16)0.034 (2)0.0186 (18)0.0060 (14)0.0023 (13)0.0048 (16)
C41A0.0156 (17)0.032 (2)0.0221 (19)0.0025 (14)0.0033 (14)0.0025 (16)
C42A0.0173 (17)0.043 (3)0.0173 (19)0.0003 (16)0.0011 (14)0.0081 (17)
C43A0.0233 (19)0.034 (2)0.029 (2)0.0065 (16)0.0038 (16)0.0104 (18)
C44A0.030 (2)0.023 (2)0.033 (2)0.0032 (16)0.0087 (17)0.0002 (18)
C45A0.028 (2)0.025 (2)0.021 (2)0.0093 (15)0.0029 (15)0.0013 (16)
Ru1B0.00835 (13)0.01568 (15)0.00840 (14)0.00120 (9)0.00290 (9)0.00106 (10)
F1B0.0248 (11)0.0355 (14)0.0197 (11)0.0034 (9)0.0042 (9)0.0018 (10)
F2B0.0350 (14)0.0540 (18)0.0182 (12)0.0007 (12)0.0042 (10)0.0104 (11)
F3B0.0428 (15)0.0350 (15)0.0442 (16)0.0099 (11)0.0181 (12)0.0252 (13)
F4B0.0535 (17)0.0185 (13)0.0512 (17)0.0038 (11)0.0170 (13)0.0020 (12)
F5B0.0452 (15)0.0299 (14)0.0225 (12)0.0023 (11)0.0087 (10)0.0012 (10)
F6B0.0105 (9)0.0270 (12)0.0178 (10)0.0007 (8)0.0026 (8)0.0021 (9)
F7B0.0222 (11)0.0326 (13)0.0194 (11)0.0005 (9)0.0123 (9)0.0013 (9)
F8B0.0292 (12)0.0372 (14)0.0090 (10)0.0022 (10)0.0038 (8)0.0009 (9)
F9B0.0164 (11)0.0481 (16)0.0174 (11)0.0018 (9)0.0038 (8)0.0046 (10)
F10B0.0110 (10)0.0540 (16)0.0182 (11)0.0022 (9)0.0049 (8)0.0049 (10)
O1B0.0113 (11)0.0187 (13)0.0160 (12)0.0011 (9)0.0042 (9)0.0030 (10)
O2B0.0097 (11)0.0285 (15)0.0254 (14)0.0000 (10)0.0033 (10)0.0086 (11)
O3B0.0096 (10)0.0233 (14)0.0105 (11)0.0001 (9)0.0029 (8)0.0008 (10)
O4B0.0174 (12)0.0259 (14)0.0151 (12)0.0058 (10)0.0080 (10)0.0003 (11)
N1B0.0104 (12)0.0180 (15)0.0105 (13)0.0006 (10)0.0038 (10)0.0015 (11)
N2B0.0095 (12)0.0173 (15)0.0095 (13)0.0012 (10)0.0043 (10)0.0006 (11)
C1B0.0106 (14)0.0175 (18)0.0092 (15)0.0001 (12)0.0010 (11)0.0006 (13)
C2B0.0116 (15)0.025 (2)0.0134 (16)0.0027 (13)0.0051 (12)0.0002 (14)
C3B0.0081 (14)0.028 (2)0.0147 (17)0.0001 (12)0.0045 (12)0.0026 (14)
C4B0.0172 (16)0.028 (2)0.0117 (17)0.0072 (14)0.0059 (13)0.0070 (14)
C5B0.0150 (16)0.033 (2)0.0097 (17)0.0027 (14)0.0026 (13)0.0026 (14)
C6B0.0168 (16)0.027 (2)0.0112 (16)0.0017 (13)0.0062 (13)0.0013 (14)
C7B0.0119 (15)0.026 (2)0.0118 (16)0.0048 (13)0.0072 (12)0.0013 (14)
C8B0.0110 (15)0.0236 (19)0.0140 (16)0.0001 (12)0.0067 (12)0.0034 (14)
C9B0.0189 (16)0.0210 (19)0.0147 (17)0.0037 (13)0.0121 (13)0.0058 (14)
C10B0.028 (2)0.021 (2)0.028 (2)0.0021 (15)0.0147 (16)0.0069 (16)
C11B0.0253 (19)0.029 (2)0.026 (2)0.0011 (16)0.0085 (16)0.0091 (17)
C12B0.044 (3)0.029 (3)0.044 (3)0.0033 (19)0.012 (2)0.006 (2)
C13B0.071 (4)0.048 (3)0.041 (3)0.014 (3)0.012 (3)0.018 (3)
C14B0.0138 (15)0.0167 (18)0.0136 (16)0.0035 (12)0.0044 (12)0.0031 (13)
C15B0.0104 (14)0.024 (2)0.0181 (18)0.0039 (13)0.0055 (12)0.0009 (14)
C16B0.0158 (16)0.029 (2)0.0178 (18)0.0107 (14)0.0037 (13)0.0076 (15)
C17B0.0241 (18)0.022 (2)0.029 (2)0.0103 (15)0.0125 (16)0.0115 (17)
C18B0.0200 (18)0.019 (2)0.029 (2)0.0032 (14)0.0064 (15)0.0030 (16)
C19B0.0114 (15)0.0185 (19)0.0219 (18)0.0032 (12)0.0048 (13)0.0006 (14)
C20B0.0146 (16)0.028 (2)0.0147 (17)0.0006 (13)0.0011 (13)0.0024 (15)
C21B0.032 (2)0.033 (3)0.042 (3)0.0123 (18)0.0145 (19)0.019 (2)
C22B0.0243 (19)0.019 (2)0.023 (2)0.0008 (14)0.0016 (15)0.0023 (16)
C23B0.0101 (14)0.0152 (17)0.0164 (17)0.0024 (11)0.0056 (12)0.0010 (13)
C24B0.0158 (16)0.024 (2)0.0159 (17)0.0022 (13)0.0056 (13)0.0030 (14)
C25B0.0228 (18)0.021 (2)0.024 (2)0.0050 (14)0.0072 (15)0.0056 (16)
C26B0.0180 (17)0.021 (2)0.027 (2)0.0037 (13)0.0075 (15)0.0027 (16)
C27B0.0138 (16)0.0205 (19)0.0176 (17)0.0008 (13)0.0041 (13)0.0031 (14)
C28B0.0086 (14)0.0230 (19)0.0158 (17)0.0021 (12)0.0047 (12)0.0006 (14)
C29B0.034 (2)0.032 (2)0.0136 (18)0.0062 (17)0.0001 (15)0.0061 (16)
C30B0.035 (2)0.023 (2)0.037 (2)0.0022 (17)0.0069 (19)0.0013 (19)
C31B0.0171 (16)0.022 (2)0.0144 (17)0.0005 (13)0.0043 (13)0.0003 (14)
C32B0.0134 (15)0.0216 (19)0.0150 (17)0.0034 (13)0.0062 (12)0.0035 (14)
C33B0.0097 (15)0.023 (2)0.0216 (18)0.0044 (12)0.0054 (13)0.0074 (15)
C34B0.0107 (15)0.027 (2)0.0221 (19)0.0012 (13)0.0040 (13)0.0020 (15)
C35B0.0161 (17)0.046 (3)0.0146 (18)0.0027 (16)0.0038 (14)0.0064 (17)
C36B0.0217 (19)0.027 (2)0.034 (2)0.0065 (15)0.0092 (16)0.0126 (18)
C37B0.028 (2)0.024 (2)0.032 (2)0.0035 (15)0.0100 (17)0.0048 (17)
C38B0.0206 (18)0.023 (2)0.024 (2)0.0041 (14)0.0074 (14)0.0059 (16)
C39B0.0142 (15)0.0162 (17)0.0114 (16)0.0027 (12)0.0017 (12)0.0017 (13)
C40B0.0117 (15)0.0158 (17)0.0128 (16)0.0007 (12)0.0027 (12)0.0031 (13)
C41B0.0126 (15)0.0141 (17)0.0149 (17)0.0004 (12)0.0023 (12)0.0005 (13)
C42B0.0173 (16)0.0170 (18)0.0168 (17)0.0004 (12)0.0105 (13)0.0004 (14)
C43B0.0227 (18)0.0154 (18)0.0112 (16)0.0006 (13)0.0021 (13)0.0025 (13)
C44B0.0127 (16)0.025 (2)0.0147 (17)0.0001 (13)0.0024 (13)0.0027 (14)
C45B0.0137 (16)0.0206 (19)0.0170 (18)0.0014 (12)0.0044 (13)0.0031 (14)
C1X0.0226 (19)0.035 (2)0.023 (2)0.0010 (16)0.0071 (15)0.0024 (17)
Cl10.0368 (6)0.0338 (6)0.0406 (6)0.0042 (4)0.0062 (5)0.0053 (5)
Cl20.0271 (5)0.0311 (6)0.0569 (7)0.0047 (4)0.0086 (5)0.0031 (5)
C2X0.0212 (18)0.039 (3)0.021 (2)0.0028 (16)0.0077 (15)0.0008 (17)
Cl30.0463 (7)0.0596 (9)0.0342 (6)0.0093 (6)0.0024 (5)0.0200 (6)
Cl40.0283 (6)0.0371 (7)0.1310 (15)0.0020 (5)0.0101 (7)0.0336 (8)
C3X0.036 (3)0.044 (3)0.059 (3)0.012 (2)0.017 (2)0.013 (3)
Cl50.0415 (6)0.0417 (7)0.0538 (8)0.0024 (5)0.0073 (5)0.0083 (6)
Cl60.0362 (6)0.0881 (11)0.0528 (8)0.0171 (6)0.0149 (6)0.0301 (8)
C4X0.030 (2)0.027 (2)0.055 (3)0.0020 (17)0.016 (2)0.009 (2)
Cl70.0338 (6)0.0398 (7)0.0441 (7)0.0068 (4)0.0134 (5)0.0000 (5)
Cl80.0607 (8)0.0530 (9)0.0687 (10)0.0192 (6)0.0346 (7)0.0281 (7)
Geometric parameters (Å, º) top
Ru1A—O1A2.103 (2)Ru1B—C9B2.250 (3)
Ru1A—O3A2.109 (3)F1B—C34B1.339 (5)
Ru1A—C1A2.116 (3)F2B—C35B1.336 (4)
Ru1A—C7A2.182 (4)F3B—C36B1.349 (5)
Ru1A—C8A2.196 (4)F4B—C37B1.335 (5)
Ru1A—C6A2.218 (4)F5B—C38B1.331 (5)
Ru1A—C4A2.220 (3)F6B—C41B1.337 (4)
Ru1A—C9A2.221 (4)F7B—C42B1.333 (4)
Ru1A—C5A2.228 (3)F8B—C43B1.339 (4)
F1A—C34A1.336 (4)F9B—C44B1.341 (4)
F2A—C35A1.336 (4)F10B—C45B1.339 (4)
F3A—C36A1.336 (4)O1B—C32B1.274 (4)
F4A—C37A1.343 (4)O2B—C32B1.234 (4)
F5A—C38A1.338 (4)O3B—C39B1.267 (4)
F6A—C41A1.335 (5)O4B—C39B1.229 (4)
F7A—C42A1.335 (5)N1B—C1B1.366 (4)
F8A—C43A1.331 (5)N1B—C2B1.385 (4)
F9A—C44A1.333 (5)N1B—C14B1.440 (4)
F10A—C45A1.329 (5)N2B—C1B1.369 (4)
O1A—C32A1.272 (4)N2B—C3B1.394 (4)
O2A—C32A1.224 (4)N2B—C23B1.443 (4)
O3A—C39A1.273 (4)C2B—C3B1.329 (5)
O4A—C39A1.223 (5)C2B—H2B0.9500
N1A—C1A1.372 (4)C3B—H3B0.9500
N1A—C2A1.384 (4)C4B—C9B1.401 (5)
N1A—C14A1.448 (5)C4B—C5B1.415 (6)
N2A—C1A1.365 (4)C4B—H4B0.9500
N2A—C3A1.393 (4)C5B—C6B1.418 (5)
N2A—C23A1.449 (4)C5B—H5B0.9500
C2A—C3A1.337 (5)C6B—C7B1.424 (5)
C2A—H2A0.9500C6B—C11B1.503 (5)
C3A—H3A0.9500C7B—C8B1.389 (5)
C4A—C5A1.382 (6)C7B—H7B0.9500
C4A—C9A1.442 (5)C8B—C9B1.429 (5)
C4A—H4A0.9500C8B—H8B0.9500
C5A—C6A1.428 (5)C9B—C10B1.494 (5)
C5A—H5A0.9500C10B—H10D0.9800
C6A—C7A1.435 (6)C10B—H10E0.9800
C6A—C10A1.479 (6)C10B—H10F0.9800
C7A—C8A1.404 (7)C11B—C12B1.512 (6)
C7A—H7A0.9500C11B—C13B1.542 (7)
C8A—C9A1.400 (6)C11B—H11B1.0000
C8A—H8A0.9500C12B—H12D0.9800
C9A—C11A1.531 (6)C12B—H12E0.9800
C10A—H10A0.9800C12B—H12F0.9800
C10A—H10B0.9800C13B—H13D0.9800
C10A—H10C0.9800C13B—H13E0.9800
C11A—C13A1.511 (6)C13B—H13F0.9800
C11A—C12A1.526 (6)C14B—C19B1.397 (5)
C11A—H11A1.0000C14B—C15B1.399 (5)
C12A—H12A0.9800C15B—C16B1.391 (5)
C12A—H12B0.9800C15B—C20B1.499 (5)
C12A—H12C0.9800C16B—C17B1.394 (6)
C13A—H13A0.9800C16B—H16B0.9500
C13A—H13B0.9800C17B—C18B1.381 (6)
C13A—H13C0.9800C17B—C21B1.501 (5)
C14A—C15A1.389 (5)C18B—C19B1.392 (5)
C14A—C19A1.393 (5)C18B—H18B0.9500
C15A—C16A1.393 (6)C19B—C22B1.498 (5)
C15A—C20A1.501 (6)C20B—H20D0.9800
C16A—C17A1.376 (6)C20B—H20E0.9800
C16A—H16A0.9500C20B—H20F0.9800
C17A—C18A1.383 (6)C21B—H21D0.9800
C17A—C21A1.503 (6)C21B—H21E0.9800
C18A—C19A1.383 (5)C21B—H21F0.9800
C18A—H18A0.9500C22B—H22D0.9800
C19A—C22A1.495 (5)C22B—H22E0.9800
C20A—H20A0.9800C22B—H22F0.9800
C20A—H20B0.9800C23B—C24B1.385 (5)
C20A—H20C0.9800C23B—C28B1.393 (5)
C21A—H21A0.9800C24B—C25B1.387 (6)
C21A—H21B0.9800C24B—C29B1.507 (5)
C21A—H21C0.9800C25B—C26B1.380 (6)
C22A—H22A0.9800C25B—H25B0.9500
C22A—H22B0.9800C26B—C27B1.395 (5)
C22A—H22C0.9800C26B—C30B1.508 (6)
C23A—C24A1.383 (5)C27B—C28B1.390 (5)
C23A—C28A1.400 (5)C27B—H27B0.9500
C24A—C25A1.396 (5)C28B—C31B1.498 (5)
C24A—C31A1.496 (5)C29B—H29D0.9800
C25A—C26A1.382 (5)C29B—H29E0.9800
C25A—H25A0.9500C29B—H29F0.9800
C26A—C27A1.399 (5)C30B—H30D0.9800
C26A—C30A1.495 (5)C30B—H30E0.9800
C27A—C28A1.390 (5)C30B—H30F0.9800
C27A—H27A0.9500C31B—H31D0.9800
C28A—C29A1.497 (5)C31B—H31E0.9800
C29A—H29A0.9800C31B—H31F0.9800
C29A—H29B0.9800C32B—C33B1.523 (5)
C29A—H29C0.9800C33B—C34B1.374 (5)
C30A—H30A0.9800C33B—C38B1.387 (6)
C30A—H30B0.9800C34B—C35B1.384 (6)
C30A—H30C0.9800C35B—C36B1.368 (6)
C31A—H31A0.9800C36B—C37B1.363 (6)
C31A—H31B0.9800C37B—C38B1.383 (6)
C31A—H31C0.9800C39B—C40B1.520 (5)
C32A—C33A1.521 (5)C40B—C45B1.391 (5)
C33A—C38A1.389 (5)C40B—C41B1.396 (5)
C33A—C34A1.397 (5)C41B—C42B1.381 (5)
C34A—C35A1.378 (5)C42B—C43B1.377 (5)
C35A—C36A1.378 (5)C43B—C44B1.363 (5)
C36A—C37A1.373 (5)C44B—C45B1.383 (5)
C37A—C38A1.380 (5)C1X—Cl11.759 (4)
C39A—C40A1.543 (5)C1X—Cl21.771 (4)
C40A—C41A1.374 (5)C1X—H1X10.9900
C40A—C45A1.378 (6)C1X—H1X20.9900
C41A—C42A1.388 (6)C2X—Cl31.742 (4)
C42A—C43A1.377 (6)C2X—Cl41.760 (5)
C43A—C44A1.372 (6)C2X—H2X10.9900
C44A—C45A1.396 (6)C2X—H2X20.9900
Ru1B—O3B2.101 (2)C3X—Cl51.744 (5)
Ru1B—O1B2.107 (2)C3X—Cl61.789 (6)
Ru1B—C1B2.122 (3)C3X—H3X10.9900
Ru1B—C5B2.176 (4)C3X—H3X20.9900
Ru1B—C7B2.209 (3)C4X—Cl81.770 (5)
Ru1B—C8B2.209 (3)C4X—Cl71.776 (5)
Ru1B—C4B2.219 (3)C4X—H4X10.9900
Ru1B—C6B2.220 (3)C4X—H4X20.9900
O1A—Ru1A—O3A78.67 (10)C1B—Ru1B—C8B157.82 (13)
O1A—Ru1A—C1A78.32 (11)C5B—Ru1B—C8B79.21 (13)
O3A—Ru1A—C1A88.46 (11)C7B—Ru1B—C8B36.65 (14)
O1A—Ru1A—C7A129.89 (16)O3B—Ru1B—C4B124.52 (12)
O3A—Ru1A—C7A151.38 (16)O1B—Ru1B—C4B157.31 (12)
C1A—Ru1A—C7A95.31 (13)C1B—Ru1B—C4B97.37 (13)
O1A—Ru1A—C8A167.02 (14)C5B—Ru1B—C4B37.54 (14)
O3A—Ru1A—C8A113.98 (15)C7B—Ru1B—C4B78.55 (13)
C1A—Ru1A—C8A98.46 (13)C8B—Ru1B—C4B66.36 (13)
C7A—Ru1A—C8A37.40 (18)O3B—Ru1B—C6B156.81 (11)
O1A—Ru1A—C6A101.24 (13)O1B—Ru1B—C6B90.97 (12)
O3A—Ru1A—C6A154.25 (12)C1B—Ru1B—C6B122.03 (13)
C1A—Ru1A—C6A116.94 (13)C5B—Ru1B—C6B37.62 (13)
C7A—Ru1A—C6A38.06 (16)C7B—Ru1B—C6B37.51 (12)
C8A—Ru1A—C6A68.78 (17)C8B—Ru1B—C6B67.33 (13)
O1A—Ru1A—C4A117.80 (11)C4B—Ru1B—C6B67.64 (14)
O3A—Ru1A—C4A90.37 (12)O3B—Ru1B—C9B99.37 (12)
C1A—Ru1A—C4A163.24 (13)O1B—Ru1B—C9B150.65 (11)
C7A—Ru1A—C4A78.00 (14)C1B—Ru1B—C9B121.03 (13)
C8A—Ru1A—C4A66.86 (14)C5B—Ru1B—C9B67.23 (14)
C6A—Ru1A—C4A66.63 (14)C7B—Ru1B—C9B66.84 (13)
O1A—Ru1A—C9A152.72 (12)C8B—Ru1B—C9B37.38 (12)
O3A—Ru1A—C9A87.87 (13)C4B—Ru1B—C9B36.55 (13)
C1A—Ru1A—C9A125.35 (14)C6B—Ru1B—C9B80.09 (14)
C7A—Ru1A—C9A66.86 (17)C32B—O1B—Ru1B120.6 (2)
C8A—Ru1A—C9A36.95 (15)C39B—O3B—Ru1B127.4 (2)
C6A—Ru1A—C9A80.86 (16)C1B—N1B—C2B111.7 (3)
C4A—Ru1A—C9A37.89 (13)C1B—N1B—C14B128.6 (3)
O1A—Ru1A—C5A97.34 (12)C2B—N1B—C14B118.7 (3)
O3A—Ru1A—C5A116.79 (12)C1B—N2B—C3B111.5 (3)
C1A—Ru1A—C5A153.30 (14)C1B—N2B—C23B130.0 (3)
C7A—Ru1A—C5A67.05 (14)C3B—N2B—C23B117.9 (3)
C8A—Ru1A—C5A79.83 (15)N1B—C1B—N2B102.9 (3)
C6A—Ru1A—C5A37.45 (13)N1B—C1B—Ru1B126.7 (2)
C4A—Ru1A—C5A36.21 (15)N2B—C1B—Ru1B129.4 (2)
C9A—Ru1A—C5A67.65 (15)C3B—C2B—N1B107.3 (3)
C32A—O1A—Ru1A128.3 (2)C3B—C2B—H2B126.4
C39A—O3A—Ru1A121.1 (2)N1B—C2B—H2B126.4
C1A—N1A—C2A111.9 (3)C2B—C3B—N2B106.6 (3)
C1A—N1A—C14A130.6 (3)C2B—C3B—H3B126.7
C2A—N1A—C14A117.0 (3)N2B—C3B—H3B126.7
C1A—N2A—C3A111.7 (3)C9B—C4B—C5B121.0 (3)
C1A—N2A—C23A130.3 (3)C9B—C4B—Ru1B72.9 (2)
C3A—N2A—C23A117.0 (3)C5B—C4B—Ru1B69.6 (2)
N2A—C1A—N1A102.8 (3)C9B—C4B—H4B119.5
N2A—C1A—Ru1A126.8 (2)C5B—C4B—H4B119.5
N1A—C1A—Ru1A129.1 (2)Ru1B—C4B—H4B130.7
C3A—C2A—N1A106.9 (3)C4B—C5B—C6B121.4 (3)
C3A—C2A—H2A126.6C4B—C5B—Ru1B72.9 (2)
N1A—C2A—H2A126.6C6B—C5B—Ru1B72.9 (2)
C2A—C3A—N2A106.7 (3)C4B—C5B—H5B119.3
C2A—C3A—H3A126.6C6B—C5B—H5B119.3
N2A—C3A—H3A126.6Ru1B—C5B—H5B127.0
C5A—C4A—C9A122.5 (4)C5B—C6B—C7B117.0 (3)
C5A—C4A—Ru1A72.2 (2)C5B—C6B—C11B120.8 (3)
C9A—C4A—Ru1A71.1 (2)C7B—C6B—C11B122.2 (3)
C5A—C4A—H4A118.7C5B—C6B—Ru1B69.5 (2)
C9A—C4A—H4A118.7C7B—C6B—Ru1B70.81 (19)
Ru1A—C4A—H4A130.9C11B—C6B—Ru1B132.3 (3)
C4A—C5A—C6A120.3 (4)C8B—C7B—C6B121.6 (3)
C4A—C5A—Ru1A71.6 (2)C8B—C7B—Ru1B71.69 (19)
C6A—C5A—Ru1A70.9 (2)C6B—C7B—Ru1B71.68 (19)
C4A—C5A—H5A119.8C8B—C7B—H7B119.2
C6A—C5A—H5A119.8C6B—C7B—H7B119.2
Ru1A—C5A—H5A130.3Ru1B—C7B—H7B130.1
C5A—C6A—C7A116.6 (4)C7B—C8B—C9B121.2 (3)
C5A—C6A—C10A120.0 (4)C7B—C8B—Ru1B71.66 (19)
C7A—C6A—C10A123.3 (4)C9B—C8B—Ru1B72.85 (19)
C5A—C6A—Ru1A71.6 (2)C7B—C8B—H8B119.4
C7A—C6A—Ru1A69.6 (2)C9B—C8B—H8B119.4
C10A—C6A—Ru1A132.2 (3)Ru1B—C8B—H8B128.4
C8A—C7A—C6A122.9 (3)C4B—C9B—C8B117.7 (3)
C8A—C7A—Ru1A71.8 (2)C4B—C9B—C10B121.4 (3)
C6A—C7A—Ru1A72.3 (2)C8B—C9B—C10B120.8 (3)
C8A—C7A—H7A118.6C4B—C9B—Ru1B70.5 (2)
C6A—C7A—H7A118.6C8B—C9B—Ru1B69.77 (19)
Ru1A—C7A—H7A130.0C10B—C9B—Ru1B133.8 (3)
C9A—C8A—C7A119.8 (4)C9B—C10B—H10D109.5
C9A—C8A—Ru1A72.5 (2)C9B—C10B—H10E109.5
C7A—C8A—Ru1A70.8 (2)H10D—C10B—H10E109.5
C9A—C8A—H8A120.1C9B—C10B—H10F109.5
C7A—C8A—H8A120.1H10D—C10B—H10F109.5
Ru1A—C8A—H8A128.9H10E—C10B—H10F109.5
C8A—C9A—C4A117.8 (4)C6B—C11B—C12B113.5 (3)
C8A—C9A—C11A124.8 (4)C6B—C11B—C13B108.8 (4)
C4A—C9A—C11A117.4 (4)C12B—C11B—C13B107.8 (4)
C8A—C9A—Ru1A70.5 (2)C6B—C11B—H11B108.9
C4A—C9A—Ru1A71.0 (2)C12B—C11B—H11B108.9
C11A—C9A—Ru1A131.5 (3)C13B—C11B—H11B108.9
C6A—C10A—H10A109.5C11B—C12B—H12D109.5
C6A—C10A—H10B109.5C11B—C12B—H12E109.5
H10A—C10A—H10B109.5H12D—C12B—H12E109.5
C6A—C10A—H10C109.5C11B—C12B—H12F109.5
H10A—C10A—H10C109.5H12D—C12B—H12F109.5
H10B—C10A—H10C109.5H12E—C12B—H12F109.5
C13A—C11A—C12A111.2 (4)C11B—C13B—H13D109.5
C13A—C11A—C9A116.4 (4)C11B—C13B—H13E109.5
C12A—C11A—C9A107.4 (4)H13D—C13B—H13E109.5
C13A—C11A—H11A107.2C11B—C13B—H13F109.5
C12A—C11A—H11A107.2H13D—C13B—H13F109.5
C9A—C11A—H11A107.2H13E—C13B—H13F109.5
C11A—C12A—H12A109.5C19B—C14B—C15B121.7 (3)
C11A—C12A—H12B109.5C19B—C14B—N1B120.1 (3)
H12A—C12A—H12B109.5C15B—C14B—N1B117.8 (3)
C11A—C12A—H12C109.5C16B—C15B—C14B118.1 (3)
H12A—C12A—H12C109.5C16B—C15B—C20B120.5 (3)
H12B—C12A—H12C109.5C14B—C15B—C20B121.5 (3)
C11A—C13A—H13A109.5C15B—C16B—C17B121.7 (3)
C11A—C13A—H13B109.5C15B—C16B—H16B119.1
H13A—C13A—H13B109.5C17B—C16B—H16B119.1
C11A—C13A—H13C109.5C18B—C17B—C16B118.2 (4)
H13A—C13A—H13C109.5C18B—C17B—C21B122.0 (4)
H13B—C13A—H13C109.5C16B—C17B—C21B119.8 (4)
C15A—C14A—C19A121.7 (4)C17B—C18B—C19B122.5 (4)
C15A—C14A—N1A118.5 (3)C17B—C18B—H18B118.8
C19A—C14A—N1A118.7 (3)C19B—C18B—H18B118.8
C14A—C15A—C16A117.8 (4)C18B—C19B—C14B117.6 (3)
C14A—C15A—C20A121.2 (4)C18B—C19B—C22B120.6 (3)
C16A—C15A—C20A121.0 (4)C14B—C19B—C22B121.7 (3)
C17A—C16A—C15A122.2 (4)C15B—C20B—H20D109.5
C17A—C16A—H16A118.9C15B—C20B—H20E109.5
C15A—C16A—H16A118.9H20D—C20B—H20E109.5
C16A—C17A—C18A118.0 (4)C15B—C20B—H20F109.5
C16A—C17A—C21A120.8 (4)H20D—C20B—H20F109.5
C18A—C17A—C21A121.2 (4)H20E—C20B—H20F109.5
C19A—C18A—C17A122.5 (3)C17B—C21B—H21D109.5
C19A—C18A—H18A118.7C17B—C21B—H21E109.5
C17A—C18A—H18A118.7H21D—C21B—H21E109.5
C18A—C19A—C14A117.6 (3)C17B—C21B—H21F109.5
C18A—C19A—C22A121.3 (3)H21D—C21B—H21F109.5
C14A—C19A—C22A121.1 (3)H21E—C21B—H21F109.5
C15A—C20A—H20A109.5C19B—C22B—H22D109.5
C15A—C20A—H20B109.5C19B—C22B—H22E109.5
H20A—C20A—H20B109.5H22D—C22B—H22E109.5
C15A—C20A—H20C109.5C19B—C22B—H22F109.5
H20A—C20A—H20C109.5H22D—C22B—H22F109.5
H20B—C20A—H20C109.5H22E—C22B—H22F109.5
C17A—C21A—H21A109.5C24B—C23B—C28B122.4 (3)
C17A—C21A—H21B109.5C24B—C23B—N2B118.4 (3)
H21A—C21A—H21B109.5C28B—C23B—N2B118.9 (3)
C17A—C21A—H21C109.5C23B—C24B—C25B118.1 (3)
H21A—C21A—H21C109.5C23B—C24B—C29B121.5 (3)
H21B—C21A—H21C109.5C25B—C24B—C29B120.4 (3)
C19A—C22A—H22A109.5C26B—C25B—C24B121.9 (4)
C19A—C22A—H22B109.5C26B—C25B—H25B119.0
H22A—C22A—H22B109.5C24B—C25B—H25B119.0
C19A—C22A—H22C109.5C25B—C26B—C27B118.2 (4)
H22A—C22A—H22C109.5C25B—C26B—C30B120.1 (4)
H22B—C22A—H22C109.5C27B—C26B—C30B121.7 (4)
C24A—C23A—C28A122.3 (3)C28B—C27B—C26B122.0 (3)
C24A—C23A—N2A119.6 (3)C28B—C27B—H27B119.0
C28A—C23A—N2A117.4 (3)C26B—C27B—H27B119.0
C23A—C24A—C25A117.6 (3)C27B—C28B—C23B117.3 (3)
C23A—C24A—C31A122.1 (3)C27B—C28B—C31B121.2 (3)
C25A—C24A—C31A120.2 (3)C23B—C28B—C31B121.4 (3)
C26A—C25A—C24A122.3 (4)C24B—C29B—H29D109.5
C26A—C25A—H25A118.8C24B—C29B—H29E109.5
C24A—C25A—H25A118.8H29D—C29B—H29E109.5
C25A—C26A—C27A118.3 (3)C24B—C29B—H29F109.5
C25A—C26A—C30A121.9 (4)H29D—C29B—H29F109.5
C27A—C26A—C30A119.8 (3)H29E—C29B—H29F109.5
C28A—C27A—C26A121.4 (3)C26B—C30B—H30D109.5
C28A—C27A—H27A119.3C26B—C30B—H30E109.5
C26A—C27A—H27A119.3H30D—C30B—H30E109.5
C27A—C28A—C23A118.0 (3)C26B—C30B—H30F109.5
C27A—C28A—C29A119.9 (3)H30D—C30B—H30F109.5
C23A—C28A—C29A122.1 (3)H30E—C30B—H30F109.5
C28A—C29A—H29A109.5C28B—C31B—H31D109.5
C28A—C29A—H29B109.5C28B—C31B—H31E109.5
H29A—C29A—H29B109.5H31D—C31B—H31E109.5
C28A—C29A—H29C109.5C28B—C31B—H31F109.5
H29A—C29A—H29C109.5H31D—C31B—H31F109.5
H29B—C29A—H29C109.5H31E—C31B—H31F109.5
C26A—C30A—H30A109.5O2B—C32B—O1B129.1 (3)
C26A—C30A—H30B109.5O2B—C32B—C33B117.3 (3)
H30A—C30A—H30B109.5O1B—C32B—C33B113.5 (3)
C26A—C30A—H30C109.5C34B—C33B—C38B116.7 (3)
H30A—C30A—H30C109.5C34B—C33B—C32B121.0 (3)
H30B—C30A—H30C109.5C38B—C33B—C32B122.2 (3)
C24A—C31A—H31A109.5F1B—C34B—C33B119.9 (3)
C24A—C31A—H31B109.5F1B—C34B—C35B117.8 (3)
H31A—C31A—H31B109.5C33B—C34B—C35B122.3 (4)
C24A—C31A—H31C109.5F2B—C35B—C36B120.0 (4)
H31A—C31A—H31C109.5F2B—C35B—C34B120.8 (4)
H31B—C31A—H31C109.5C36B—C35B—C34B119.2 (4)
O2A—C32A—O1A128.5 (3)F3B—C36B—C37B119.2 (4)
O2A—C32A—C33A118.8 (3)F3B—C36B—C35B120.3 (4)
O1A—C32A—C33A112.7 (3)C37B—C36B—C35B120.5 (4)
C38A—C33A—C34A115.5 (3)F4B—C37B—C36B120.2 (4)
C38A—C33A—C32A121.3 (3)F4B—C37B—C38B120.3 (4)
C34A—C33A—C32A123.2 (3)C36B—C37B—C38B119.4 (4)
F1A—C34A—C35A115.9 (3)F5B—C38B—C37B117.5 (4)
F1A—C34A—C33A121.2 (3)F5B—C38B—C33B120.6 (3)
C35A—C34A—C33A122.8 (3)C37B—C38B—C33B121.9 (4)
F2A—C35A—C36A120.0 (3)O4B—C39B—O3B129.2 (3)
F2A—C35A—C34A120.5 (3)O4B—C39B—C40B117.6 (3)
C36A—C35A—C34A119.5 (3)O3B—C39B—C40B113.1 (3)
F3A—C36A—C37A120.8 (3)C45B—C40B—C41B115.7 (3)
F3A—C36A—C35A119.7 (3)C45B—C40B—C39B121.3 (3)
C37A—C36A—C35A119.5 (3)C41B—C40B—C39B123.0 (3)
F4A—C37A—C36A119.3 (3)F6B—C41B—C42B116.3 (3)
F4A—C37A—C38A120.5 (3)F6B—C41B—C40B121.1 (3)
C36A—C37A—C38A120.2 (3)C42B—C41B—C40B122.6 (3)
F5A—C38A—C37A116.3 (3)F7B—C42B—C43B120.1 (3)
F5A—C38A—C33A121.3 (3)F7B—C42B—C41B120.6 (3)
C37A—C38A—C33A122.4 (3)C43B—C42B—C41B119.3 (3)
O4A—C39A—O3A129.8 (4)F8B—C43B—C44B120.4 (3)
O4A—C39A—C40A118.2 (3)F8B—C43B—C42B119.5 (3)
O3A—C39A—C40A112.0 (3)C44B—C43B—C42B120.1 (3)
C41A—C40A—C45A117.3 (4)F9B—C44B—C43B119.9 (3)
C41A—C40A—C39A121.3 (4)F9B—C44B—C45B120.2 (3)
C45A—C40A—C39A121.4 (3)C43B—C44B—C45B120.0 (3)
F6A—C41A—C40A119.9 (4)F10B—C45B—C44B117.1 (3)
F6A—C41A—C42A117.9 (4)F10B—C45B—C40B120.6 (3)
C40A—C41A—C42A122.2 (4)C44B—C45B—C40B122.3 (3)
F7A—C42A—C43A120.2 (4)Cl1—C1X—Cl2111.0 (2)
F7A—C42A—C41A120.5 (4)Cl1—C1X—H1X1109.4
C43A—C42A—C41A119.3 (4)Cl2—C1X—H1X1109.4
F8A—C43A—C44A119.6 (4)Cl1—C1X—H1X2109.4
F8A—C43A—C42A120.2 (4)Cl2—C1X—H1X2109.4
C44A—C43A—C42A120.1 (4)H1X1—C1X—H1X2108.0
F9A—C44A—C43A120.5 (4)Cl3—C2X—Cl4109.9 (2)
F9A—C44A—C45A120.3 (4)Cl3—C2X—H2X1109.7
C43A—C44A—C45A119.2 (4)Cl4—C2X—H2X1109.7
F10A—C45A—C40A121.0 (4)Cl3—C2X—H2X2109.7
F10A—C45A—C44A117.2 (4)Cl4—C2X—H2X2109.7
C40A—C45A—C44A121.9 (4)H2X1—C2X—H2X2108.2
O3B—Ru1B—O1B78.16 (10)Cl5—C3X—Cl6110.2 (3)
O3B—Ru1B—C1B78.35 (11)Cl5—C3X—H3X1109.6
O1B—Ru1B—C1B87.44 (11)Cl6—C3X—H3X1109.6
O3B—Ru1B—C5B161.39 (12)Cl5—C3X—H3X2109.6
O1B—Ru1B—C5B119.95 (13)Cl6—C3X—H3X2109.6
C1B—Ru1B—C5B97.15 (13)H3X1—C3X—H3X2108.1
O3B—Ru1B—C7B120.91 (11)Cl8—C4X—Cl7110.4 (2)
O1B—Ru1B—C7B89.09 (11)Cl8—C4X—H4X1109.6
C1B—Ru1B—C7B159.19 (13)Cl7—C4X—H4X1109.6
C5B—Ru1B—C7B67.09 (13)Cl8—C4X—H4X2109.6
O3B—Ru1B—C8B98.07 (11)Cl7—C4X—H4X2109.6
O1B—Ru1B—C8B113.48 (11)H4X1—C4X—H4X2108.1
O3A—Ru1A—O1A—C32A111.5 (3)O3B—Ru1B—O1B—C32B63.1 (3)
C1A—Ru1A—O1A—C32A157.8 (3)C1B—Ru1B—O1B—C32B141.7 (3)
C7A—Ru1A—O1A—C32A70.6 (3)C5B—Ru1B—O1B—C32B121.5 (3)
C8A—Ru1A—O1A—C32A81.0 (6)C7B—Ru1B—O1B—C32B58.8 (3)
C6A—Ru1A—O1A—C32A42.3 (3)C8B—Ru1B—O1B—C32B30.7 (3)
C4A—Ru1A—O1A—C32A27.1 (3)C4B—Ru1B—O1B—C32B115.3 (3)
C9A—Ru1A—O1A—C32A49.6 (4)C6B—Ru1B—O1B—C32B96.3 (3)
C5A—Ru1A—O1A—C32A4.5 (3)C9B—Ru1B—O1B—C32B25.0 (4)
O1A—Ru1A—O3A—C39A64.8 (3)O1B—Ru1B—O3B—C39B108.7 (3)
C1A—Ru1A—O3A—C39A143.2 (3)C1B—Ru1B—O3B—C39B161.5 (3)
C7A—Ru1A—O3A—C39A118.6 (3)C5B—Ru1B—O3B—C39B83.9 (4)
C8A—Ru1A—O3A—C39A118.3 (3)C7B—Ru1B—O3B—C39B27.0 (3)
C6A—Ru1A—O3A—C39A27.7 (5)C8B—Ru1B—O3B—C39B3.7 (3)
C4A—Ru1A—O3A—C39A53.6 (3)C4B—Ru1B—O3B—C39B70.5 (3)
C9A—Ru1A—O3A—C39A91.4 (3)C6B—Ru1B—O3B—C39B45.1 (5)
C5A—Ru1A—O3A—C39A27.8 (3)C9B—Ru1B—O3B—C39B41.5 (3)
C3A—N2A—C1A—N1A0.5 (4)C2B—N1B—C1B—N2B1.2 (4)
C23A—N2A—C1A—N1A167.9 (3)C14B—N1B—C1B—N2B167.4 (3)
C3A—N2A—C1A—Ru1A167.7 (2)C2B—N1B—C1B—Ru1B167.7 (2)
C23A—N2A—C1A—Ru1A23.9 (5)C14B—N1B—C1B—Ru1B23.8 (5)
C2A—N1A—C1A—N2A0.5 (4)C3B—N2B—C1B—N1B0.8 (4)
C14A—N1A—C1A—N2A170.3 (3)C23B—N2B—C1B—N1B169.8 (3)
C2A—N1A—C1A—Ru1A167.3 (3)C3B—N2B—C1B—Ru1B167.7 (2)
C14A—N1A—C1A—Ru1A22.0 (5)C23B—N2B—C1B—Ru1B21.7 (5)
O1A—Ru1A—C1A—N2A80.1 (3)O3B—Ru1B—C1B—N1B83.4 (3)
O3A—Ru1A—C1A—N2A158.8 (3)O1B—Ru1B—C1B—N1B161.8 (3)
C7A—Ru1A—C1A—N2A49.6 (3)C5B—Ru1B—C1B—N1B78.3 (3)
C8A—Ru1A—C1A—N2A87.2 (3)C7B—Ru1B—C1B—N1B117.6 (4)
C6A—Ru1A—C1A—N2A16.7 (3)C8B—Ru1B—C1B—N1B0.6 (5)
C4A—Ru1A—C1A—N2A115.0 (5)C4B—Ru1B—C1B—N1B40.5 (3)
C9A—Ru1A—C1A—N2A114.9 (3)C6B—Ru1B—C1B—N1B108.7 (3)
C5A—Ru1A—C1A—N2A3.0 (5)C9B—Ru1B—C1B—N1B10.6 (3)
O1A—Ru1A—C1A—N1A85.0 (3)O3B—Ru1B—C1B—N2B82.6 (3)
O3A—Ru1A—C1A—N1A6.2 (3)O1B—Ru1B—C1B—N2B4.1 (3)
C7A—Ru1A—C1A—N1A145.3 (3)C5B—Ru1B—C1B—N2B115.7 (3)
C8A—Ru1A—C1A—N1A107.8 (3)C7B—Ru1B—C1B—N2B76.5 (5)
C6A—Ru1A—C1A—N1A178.2 (3)C8B—Ru1B—C1B—N2B165.3 (3)
C4A—Ru1A—C1A—N1A79.9 (6)C4B—Ru1B—C1B—N2B153.6 (3)
C9A—Ru1A—C1A—N1A80.1 (3)C6B—Ru1B—C1B—N2B85.4 (3)
C5A—Ru1A—C1A—N1A168.0 (3)C9B—Ru1B—C1B—N2B176.6 (3)
C1A—N1A—C2A—C3A0.4 (4)C1B—N1B—C2B—C3B1.2 (4)
C14A—N1A—C2A—C3A171.8 (3)C14B—N1B—C2B—C3B168.6 (3)
N1A—C2A—C3A—N2A0.1 (4)N1B—C2B—C3B—N2B0.6 (4)
C1A—N2A—C3A—C2A0.3 (4)C1B—N2B—C3B—C2B0.1 (4)
C23A—N2A—C3A—C2A169.8 (3)C23B—N2B—C3B—C2B171.7 (3)
O1A—Ru1A—C4A—C5A61.6 (2)O3B—Ru1B—C4B—C9B53.4 (2)
O3A—Ru1A—C4A—C5A139.0 (2)O1B—Ru1B—C4B—C9B124.6 (3)
C1A—Ru1A—C4A—C5A135.2 (5)C1B—Ru1B—C4B—C9B134.3 (2)
C7A—Ru1A—C4A—C5A67.4 (2)C5B—Ru1B—C4B—C9B133.5 (3)
C8A—Ru1A—C4A—C5A105.0 (3)C7B—Ru1B—C4B—C9B66.4 (2)
C6A—Ru1A—C4A—C5A29.1 (2)C8B—Ru1B—C4B—C9B30.0 (2)
C9A—Ru1A—C4A—C5A135.0 (3)C6B—Ru1B—C4B—C9B104.0 (2)
O1A—Ru1A—C4A—C9A163.4 (2)O3B—Ru1B—C4B—C5B173.06 (18)
O3A—Ru1A—C4A—C9A86.1 (2)O1B—Ru1B—C4B—C5B8.9 (4)
C1A—Ru1A—C4A—C9A0.2 (6)C1B—Ru1B—C4B—C5B92.2 (2)
C7A—Ru1A—C4A—C9A67.6 (3)C7B—Ru1B—C4B—C5B67.2 (2)
C8A—Ru1A—C4A—C9A30.0 (3)C8B—Ru1B—C4B—C5B103.6 (2)
C6A—Ru1A—C4A—C9A105.9 (3)C6B—Ru1B—C4B—C5B29.5 (2)
C5A—Ru1A—C4A—C9A135.0 (3)C9B—Ru1B—C4B—C5B133.5 (3)
C9A—C4A—C5A—C6A1.0 (5)C9B—C4B—C5B—C6B2.8 (5)
Ru1A—C4A—C5A—C6A53.5 (3)Ru1B—C4B—C5B—C6B56.7 (3)
C9A—C4A—C5A—Ru1A52.5 (3)C9B—C4B—C5B—Ru1B53.9 (3)
O1A—Ru1A—C5A—C4A128.3 (2)O3B—Ru1B—C5B—C4B18.2 (5)
O3A—Ru1A—C5A—C4A47.4 (2)O1B—Ru1B—C5B—C4B176.03 (18)
C1A—Ru1A—C5A—C4A153.1 (3)C1B—Ru1B—C5B—C4B92.8 (2)
C7A—Ru1A—C5A—C4A101.3 (3)C7B—Ru1B—C5B—C4B101.3 (2)
C8A—Ru1A—C5A—C4A64.5 (2)C8B—Ru1B—C5B—C4B65.0 (2)
C6A—Ru1A—C5A—C4A132.7 (3)C6B—Ru1B—C5B—C4B131.7 (3)
C9A—Ru1A—C5A—C4A28.0 (2)C9B—Ru1B—C5B—C4B27.91 (19)
O1A—Ru1A—C5A—C6A98.9 (2)O3B—Ru1B—C5B—C6B149.9 (3)
O3A—Ru1A—C5A—C6A179.9 (2)O1B—Ru1B—C5B—C6B44.3 (2)
C1A—Ru1A—C5A—C6A20.4 (4)C1B—Ru1B—C5B—C6B135.5 (2)
C7A—Ru1A—C5A—C6A31.4 (3)C7B—Ru1B—C5B—C6B30.4 (2)
C8A—Ru1A—C5A—C6A68.3 (3)C8B—Ru1B—C5B—C6B66.7 (2)
C4A—Ru1A—C5A—C6A132.7 (3)C4B—Ru1B—C5B—C6B131.7 (3)
C9A—Ru1A—C5A—C6A104.7 (3)C9B—Ru1B—C5B—C6B103.8 (2)
C4A—C5A—C6A—C7A0.9 (5)C4B—C5B—C6B—C7B2.4 (5)
Ru1A—C5A—C6A—C7A54.8 (3)Ru1B—C5B—C6B—C7B54.3 (3)
C4A—C5A—C6A—C10A177.4 (3)C4B—C5B—C6B—C11B175.5 (3)
Ru1A—C5A—C6A—C10A128.7 (4)Ru1B—C5B—C6B—C11B127.8 (3)
C4A—C5A—C6A—Ru1A53.8 (3)C4B—C5B—C6B—Ru1B56.7 (3)
O1A—Ru1A—C6A—C5A87.4 (2)O3B—Ru1B—C6B—C5B156.0 (3)
O3A—Ru1A—C6A—C5A0.2 (5)O1B—Ru1B—C6B—C5B142.8 (2)
C1A—Ru1A—C6A—C5A169.9 (2)C1B—Ru1B—C6B—C5B55.2 (3)
C7A—Ru1A—C6A—C5A128.8 (4)C7B—Ru1B—C6B—C5B130.0 (3)
C8A—Ru1A—C6A—C5A101.3 (3)C8B—Ru1B—C6B—C5B102.1 (2)
C4A—Ru1A—C6A—C5A28.2 (2)C4B—Ru1B—C6B—C5B29.5 (2)
C9A—Ru1A—C6A—C5A65.0 (2)C9B—Ru1B—C6B—C5B65.4 (2)
O1A—Ru1A—C6A—C7A143.8 (2)O3B—Ru1B—C6B—C7B26.0 (4)
O3A—Ru1A—C6A—C7A129.0 (3)O1B—Ru1B—C6B—C7B87.2 (2)
C1A—Ru1A—C6A—C7A61.3 (3)C1B—Ru1B—C6B—C7B174.8 (2)
C8A—Ru1A—C6A—C7A27.6 (2)C5B—Ru1B—C6B—C7B130.0 (3)
C4A—Ru1A—C6A—C7A100.6 (3)C8B—Ru1B—C6B—C7B27.9 (2)
C9A—Ru1A—C6A—C7A63.9 (2)C4B—Ru1B—C6B—C7B100.6 (2)
C5A—Ru1A—C6A—C7A128.8 (4)C9B—Ru1B—C6B—C7B64.7 (2)
O1A—Ru1A—C6A—C10A26.8 (4)O3B—Ru1B—C6B—C11B90.4 (4)
O3A—Ru1A—C6A—C10A114.0 (4)O1B—Ru1B—C6B—C11B29.2 (3)
C1A—Ru1A—C6A—C10A55.7 (4)C1B—Ru1B—C6B—C11B58.4 (4)
C7A—Ru1A—C6A—C10A117.0 (5)C5B—Ru1B—C6B—C11B113.6 (4)
C8A—Ru1A—C6A—C10A144.5 (4)C7B—Ru1B—C6B—C11B116.4 (4)
C4A—Ru1A—C6A—C10A142.4 (4)C8B—Ru1B—C6B—C11B144.3 (4)
C9A—Ru1A—C6A—C10A179.2 (4)C4B—Ru1B—C6B—C11B143.0 (4)
C5A—Ru1A—C6A—C10A114.2 (5)C9B—Ru1B—C6B—C11B178.9 (4)
C5A—C6A—C7A—C8A2.3 (5)C5B—C6B—C7B—C8B0.1 (5)
C10A—C6A—C7A—C8A178.7 (4)C11B—C6B—C7B—C8B177.8 (3)
Ru1A—C6A—C7A—C8A53.5 (3)Ru1B—C6B—C7B—C8B53.7 (3)
C5A—C6A—C7A—Ru1A55.8 (3)C5B—C6B—C7B—Ru1B53.6 (3)
C10A—C6A—C7A—Ru1A127.8 (4)C11B—C6B—C7B—Ru1B128.5 (3)
O1A—Ru1A—C7A—C8A176.19 (19)O3B—Ru1B—C7B—C8B57.9 (2)
O3A—Ru1A—C7A—C8A0.5 (4)O1B—Ru1B—C7B—C8B133.5 (2)
C1A—Ru1A—C7A—C8A97.0 (2)C1B—Ru1B—C7B—C8B146.1 (3)
C6A—Ru1A—C7A—C8A134.7 (3)C5B—Ru1B—C7B—C8B103.2 (2)
C4A—Ru1A—C7A—C8A67.5 (2)C4B—Ru1B—C7B—C8B65.6 (2)
C9A—Ru1A—C7A—C8A29.3 (2)C6B—Ru1B—C7B—C8B133.7 (3)
C5A—Ru1A—C7A—C8A103.8 (2)C9B—Ru1B—C7B—C8B29.2 (2)
O1A—Ru1A—C7A—C6A49.1 (3)O3B—Ru1B—C7B—C6B168.38 (19)
O3A—Ru1A—C7A—C6A135.2 (3)O1B—Ru1B—C7B—C6B92.8 (2)
C1A—Ru1A—C7A—C6A128.3 (2)C1B—Ru1B—C7B—C6B12.4 (5)
C8A—Ru1A—C7A—C6A134.7 (3)C5B—Ru1B—C7B—C6B30.5 (2)
C4A—Ru1A—C7A—C6A67.3 (2)C8B—Ru1B—C7B—C6B133.7 (3)
C9A—Ru1A—C7A—C6A105.4 (2)C4B—Ru1B—C7B—C6B68.1 (2)
C5A—Ru1A—C7A—C6A31.0 (2)C9B—Ru1B—C7B—C6B104.5 (2)
C6A—C7A—C8A—C9A1.8 (6)C6B—C7B—C8B—C9B1.9 (5)
Ru1A—C7A—C8A—C9A55.5 (3)Ru1B—C7B—C8B—C9B55.6 (3)
C6A—C7A—C8A—Ru1A53.7 (3)C6B—C7B—C8B—Ru1B53.7 (3)
O1A—Ru1A—C8A—C9A144.6 (5)O3B—Ru1B—C8B—C7B132.7 (2)
O3A—Ru1A—C8A—C9A48.8 (3)O1B—Ru1B—C8B—C7B52.2 (2)
C1A—Ru1A—C8A—C9A140.8 (3)C1B—Ru1B—C8B—C7B148.4 (3)
C7A—Ru1A—C8A—C9A131.5 (3)C5B—Ru1B—C8B—C7B65.9 (2)
C6A—Ru1A—C8A—C9A103.5 (3)C4B—Ru1B—C8B—C7B103.0 (2)
C4A—Ru1A—C8A—C9A30.7 (2)C6B—Ru1B—C8B—C7B28.5 (2)
C5A—Ru1A—C8A—C9A66.2 (3)C9B—Ru1B—C8B—C7B132.4 (3)
O1A—Ru1A—C8A—C7A13.1 (6)O3B—Ru1B—C8B—C9B94.9 (2)
O3A—Ru1A—C8A—C7A179.76 (19)O1B—Ru1B—C8B—C9B175.43 (19)
C1A—Ru1A—C8A—C7A87.7 (2)C1B—Ru1B—C8B—C9B16.0 (4)
C6A—Ru1A—C8A—C7A28.0 (2)C5B—Ru1B—C8B—C9B66.4 (2)
C4A—Ru1A—C8A—C7A100.7 (2)C7B—Ru1B—C8B—C9B132.4 (3)
C9A—Ru1A—C8A—C7A131.5 (3)C4B—Ru1B—C8B—C9B29.4 (2)
C5A—Ru1A—C8A—C7A65.3 (2)C6B—Ru1B—C8B—C9B103.9 (2)
C7A—C8A—C9A—C4A0.2 (5)C5B—C4B—C9B—C8B0.7 (5)
Ru1A—C8A—C9A—C4A54.8 (3)Ru1B—C4B—C9B—C8B53.1 (3)
C7A—C8A—C9A—C11A177.8 (4)C5B—C4B—C9B—C10B177.5 (3)
Ru1A—C8A—C9A—C11A127.6 (4)Ru1B—C4B—C9B—C10B130.1 (3)
C7A—C8A—C9A—Ru1A54.6 (3)C5B—C4B—C9B—Ru1B52.4 (3)
C5A—C4A—C9A—C8A1.6 (5)C7B—C8B—C9B—C4B1.6 (5)
Ru1A—C4A—C9A—C8A54.6 (3)Ru1B—C8B—C9B—C4B53.4 (3)
C5A—C4A—C9A—C11A179.3 (3)C7B—C8B—C9B—C10B175.2 (3)
Ru1A—C4A—C9A—C11A127.7 (3)Ru1B—C8B—C9B—C10B129.7 (3)
C5A—C4A—C9A—Ru1A53.0 (3)C7B—C8B—C9B—Ru1B55.1 (3)
O1A—Ru1A—C9A—C8A163.5 (3)O3B—Ru1B—C9B—C4B137.9 (2)
O3A—Ru1A—C9A—C8A136.6 (3)O1B—Ru1B—C9B—C4B139.6 (2)
C1A—Ru1A—C9A—C8A50.0 (3)C1B—Ru1B—C9B—C4B55.9 (2)
C7A—Ru1A—C9A—C8A29.7 (3)C5B—Ru1B—C9B—C4B28.6 (2)
C6A—Ru1A—C9A—C8A66.7 (3)C7B—Ru1B—C9B—C4B102.4 (2)
C4A—Ru1A—C9A—C8A130.1 (4)C8B—Ru1B—C9B—C4B131.0 (3)
C5A—Ru1A—C9A—C8A103.2 (3)C6B—Ru1B—C9B—C4B65.6 (2)
O1A—Ru1A—C9A—C4A33.4 (4)O3B—Ru1B—C9B—C8B91.1 (2)
O3A—Ru1A—C9A—C4A93.3 (2)O1B—Ru1B—C9B—C8B8.6 (4)
C1A—Ru1A—C9A—C4A179.9 (2)C1B—Ru1B—C9B—C8B173.03 (19)
C7A—Ru1A—C9A—C4A100.4 (3)C5B—Ru1B—C9B—C8B102.4 (2)
C8A—Ru1A—C9A—C4A130.1 (4)C7B—Ru1B—C9B—C8B28.7 (2)
C6A—Ru1A—C9A—C4A63.4 (2)C4B—Ru1B—C9B—C8B131.0 (3)
C5A—Ru1A—C9A—C4A26.9 (2)C6B—Ru1B—C9B—C8B65.4 (2)
O1A—Ru1A—C9A—C11A76.8 (5)O3B—Ru1B—C9B—C10B22.7 (4)
O3A—Ru1A—C9A—C11A16.9 (4)O1B—Ru1B—C9B—C10B105.2 (4)
C1A—Ru1A—C9A—C11A69.7 (4)C1B—Ru1B—C9B—C10B59.3 (4)
C7A—Ru1A—C9A—C11A149.3 (4)C5B—Ru1B—C9B—C10B143.8 (4)
C8A—Ru1A—C9A—C11A119.7 (5)C7B—Ru1B—C9B—C10B142.4 (4)
C6A—Ru1A—C9A—C11A173.7 (4)C8B—Ru1B—C9B—C10B113.8 (4)
C4A—Ru1A—C9A—C11A110.3 (5)C4B—Ru1B—C9B—C10B115.2 (4)
C5A—Ru1A—C9A—C11A137.1 (4)C6B—Ru1B—C9B—C10B179.2 (4)
C8A—C9A—C11A—C13A27.9 (6)C5B—C6B—C11B—C12B174.2 (4)
C4A—C9A—C11A—C13A154.5 (4)C7B—C6B—C11B—C12B3.6 (5)
Ru1A—C9A—C11A—C13A66.2 (5)Ru1B—C6B—C11B—C12B96.2 (4)
C8A—C9A—C11A—C12A97.4 (5)C5B—C6B—C11B—C13B54.3 (5)
C4A—C9A—C11A—C12A80.2 (5)C7B—C6B—C11B—C13B123.6 (4)
Ru1A—C9A—C11A—C12A168.5 (3)Ru1B—C6B—C11B—C13B143.8 (4)
C1A—N1A—C14A—C15A81.6 (5)C1B—N1B—C14B—C19B99.3 (4)
C2A—N1A—C14A—C15A88.8 (4)C2B—N1B—C14B—C19B92.9 (4)
C1A—N1A—C14A—C19A109.5 (4)C1B—N1B—C14B—C15B87.6 (4)
C2A—N1A—C14A—C19A80.1 (4)C2B—N1B—C14B—C15B80.3 (4)
C19A—C14A—C15A—C16A4.0 (6)C19B—C14B—C15B—C16B3.6 (5)
N1A—C14A—C15A—C16A172.5 (4)N1B—C14B—C15B—C16B176.6 (3)
C19A—C14A—C15A—C20A173.2 (4)C19B—C14B—C15B—C20B178.0 (3)
N1A—C14A—C15A—C20A4.7 (6)N1B—C14B—C15B—C20B4.9 (5)
C14A—C15A—C16A—C17A1.0 (7)C14B—C15B—C16B—C17B0.7 (5)
C20A—C15A—C16A—C17A176.2 (5)C20B—C15B—C16B—C17B179.2 (3)
C15A—C16A—C17A—C18A0.9 (7)C15B—C16B—C17B—C18B2.2 (5)
C15A—C16A—C17A—C21A179.9 (5)C15B—C16B—C17B—C21B179.0 (3)
C16A—C17A—C18A—C19A0.1 (6)C16B—C17B—C18B—C19B2.4 (6)
C21A—C17A—C18A—C19A179.1 (4)C21B—C17B—C18B—C19B178.8 (4)
C17A—C18A—C19A—C14A2.9 (5)C17B—C18B—C19B—C14B0.3 (5)
C17A—C18A—C19A—C22A176.9 (4)C17B—C18B—C19B—C22B179.4 (3)
C15A—C14A—C19A—C18A4.9 (5)C15B—C14B—C19B—C18B3.4 (5)
N1A—C14A—C19A—C18A173.4 (3)N1B—C14B—C19B—C18B176.3 (3)
C15A—C14A—C19A—C22A174.9 (4)C15B—C14B—C19B—C22B176.3 (3)
N1A—C14A—C19A—C22A6.4 (5)N1B—C14B—C19B—C22B3.4 (5)
C1A—N2A—C23A—C24A104.4 (4)C1B—N2B—C23B—C24B71.3 (4)
C3A—N2A—C23A—C24A87.7 (4)C3B—N2B—C23B—C24B98.7 (4)
C1A—N2A—C23A—C28A85.5 (4)C1B—N2B—C23B—C28B114.9 (4)
C3A—N2A—C23A—C28A82.4 (4)C3B—N2B—C23B—C28B75.0 (4)
C28A—C23A—C24A—C25A2.8 (5)C28B—C23B—C24B—C25B2.1 (5)
N2A—C23A—C24A—C25A172.5 (3)N2B—C23B—C24B—C25B175.6 (3)
C28A—C23A—C24A—C31A175.5 (3)C28B—C23B—C24B—C29B175.9 (3)
N2A—C23A—C24A—C31A5.8 (5)N2B—C23B—C24B—C29B2.4 (5)
C23A—C24A—C25A—C26A0.4 (5)C23B—C24B—C25B—C26B1.8 (5)
C31A—C24A—C25A—C26A178.0 (3)C29B—C24B—C25B—C26B176.2 (4)
C24A—C25A—C26A—C27A1.3 (5)C24B—C25B—C26B—C27B0.3 (5)
C24A—C25A—C26A—C30A179.3 (3)C24B—C25B—C26B—C30B178.5 (4)
C25A—C26A—C27A—C28A0.7 (5)C25B—C26B—C27B—C28B2.2 (5)
C30A—C26A—C27A—C28A179.9 (3)C30B—C26B—C27B—C28B179.6 (3)
C26A—C27A—C28A—C23A1.6 (5)C26B—C27B—C28B—C23B1.9 (5)
C26A—C27A—C28A—C29A178.8 (3)C26B—C27B—C28B—C31B176.5 (3)
C24A—C23A—C28A—C27A3.4 (5)C24B—C23B—C28B—C27B0.3 (5)
N2A—C23A—C28A—C27A173.3 (3)N2B—C23B—C28B—C27B173.8 (3)
C24A—C23A—C28A—C29A176.9 (3)C24B—C23B—C28B—C31B178.7 (3)
N2A—C23A—C28A—C29A7.1 (5)N2B—C23B—C28B—C31B7.8 (5)
Ru1A—O1A—C32A—O2A16.4 (5)Ru1B—O1B—C32B—O2B6.0 (5)
Ru1A—O1A—C32A—C33A164.0 (2)Ru1B—O1B—C32B—C33B174.4 (2)
O2A—C32A—C33A—C38A27.3 (5)O2B—C32B—C33B—C34B63.6 (5)
O1A—C32A—C33A—C38A153.1 (3)O1B—C32B—C33B—C34B116.8 (4)
O2A—C32A—C33A—C34A153.7 (3)O2B—C32B—C33B—C38B112.8 (4)
O1A—C32A—C33A—C34A25.9 (5)O1B—C32B—C33B—C38B66.9 (4)
C38A—C33A—C34A—F1A175.1 (3)C38B—C33B—C34B—F1B179.0 (3)
C32A—C33A—C34A—F1A5.8 (5)C32B—C33B—C34B—F1B2.5 (5)
C38A—C33A—C34A—C35A2.6 (5)C38B—C33B—C34B—C35B0.7 (5)
C32A—C33A—C34A—C35A176.5 (3)C32B—C33B—C34B—C35B177.2 (3)
F1A—C34A—C35A—F2A2.9 (5)F1B—C34B—C35B—F2B0.8 (5)
C33A—C34A—C35A—F2A179.3 (3)C33B—C34B—C35B—F2B179.5 (3)
F1A—C34A—C35A—C36A175.5 (3)F1B—C34B—C35B—C36B178.9 (3)
C33A—C34A—C35A—C36A2.4 (6)C33B—C34B—C35B—C36B0.8 (5)
F2A—C35A—C36A—F3A0.3 (5)F2B—C35B—C36B—F3B0.6 (5)
C34A—C35A—C36A—F3A178.7 (3)C34B—C35B—C36B—F3B179.7 (3)
F2A—C35A—C36A—C37A179.3 (3)F2B—C35B—C36B—C37B179.0 (4)
C34A—C35A—C36A—C37A0.9 (5)C34B—C35B—C36B—C37B0.7 (6)
F3A—C36A—C37A—F4A0.6 (5)F3B—C36B—C37B—F4B1.9 (6)
C35A—C36A—C37A—F4A179.0 (3)C35B—C36B—C37B—F4B177.8 (4)
F3A—C36A—C37A—C38A179.7 (3)F3B—C36B—C37B—C38B178.2 (3)
C35A—C36A—C37A—C38A0.1 (5)C35B—C36B—C37B—C38B2.2 (6)
F4A—C37A—C38A—F5A0.9 (5)F4B—C37B—C38B—F5B1.3 (6)
C36A—C37A—C38A—F5A180.0 (3)C36B—C37B—C38B—F5B178.7 (3)
F4A—C37A—C38A—C33A179.3 (3)F4B—C37B—C38B—C33B177.7 (3)
C36A—C37A—C38A—C33A0.2 (6)C36B—C37B—C38B—C33B2.3 (6)
C34A—C33A—C38A—F5A178.7 (3)C34B—C33B—C38B—F5B179.8 (3)
C32A—C33A—C38A—F5A2.2 (5)C32B—C33B—C38B—F5B3.3 (5)
C34A—C33A—C38A—C37A1.5 (5)C34B—C33B—C38B—C37B0.8 (5)
C32A—C33A—C38A—C37A177.6 (3)C32B—C33B—C38B—C37B175.7 (3)
Ru1A—O3A—C39A—O4A2.9 (6)Ru1B—O3B—C39B—O4B17.8 (5)
Ru1A—O3A—C39A—C40A177.9 (2)Ru1B—O3B—C39B—C40B163.2 (2)
O4A—C39A—C40A—C41A63.5 (5)O4B—C39B—C40B—C45B32.1 (5)
O3A—C39A—C40A—C41A117.3 (4)O3B—C39B—C40B—C45B148.8 (3)
O4A—C39A—C40A—C45A114.5 (4)O4B—C39B—C40B—C41B146.9 (3)
O3A—C39A—C40A—C45A64.8 (5)O3B—C39B—C40B—C41B32.2 (5)
C45A—C40A—C41A—F6A179.5 (3)C45B—C40B—C41B—F6B178.0 (3)
C39A—C40A—C41A—F6A1.4 (5)C39B—C40B—C41B—F6B1.1 (5)
C45A—C40A—C41A—C42A1.1 (6)C45B—C40B—C41B—C42B1.0 (5)
C39A—C40A—C41A—C42A179.2 (3)C39B—C40B—C41B—C42B180.0 (3)
F6A—C41A—C42A—F7A0.5 (5)F6B—C41B—C42B—F7B1.6 (5)
C40A—C41A—C42A—F7A178.9 (3)C40B—C41B—C42B—F7B179.4 (3)
F6A—C41A—C42A—C43A179.2 (3)F6B—C41B—C42B—C43B177.3 (3)
C40A—C41A—C42A—C43A1.4 (6)C40B—C41B—C42B—C43B1.7 (5)
F7A—C42A—C43A—F8A0.2 (6)F7B—C42B—C43B—F8B0.1 (5)
C41A—C42A—C43A—F8A180.0 (3)C41B—C42B—C43B—F8B179.0 (3)
F7A—C42A—C43A—C44A179.2 (4)F7B—C42B—C43B—C44B179.6 (3)
C41A—C42A—C43A—C44A0.6 (6)C41B—C42B—C43B—C44B0.6 (5)
F8A—C43A—C44A—F9A0.3 (6)F8B—C43B—C44B—F9B1.0 (6)
C42A—C43A—C44A—F9A179.1 (4)C42B—C43B—C44B—F9B178.6 (3)
F8A—C43A—C44A—C45A178.0 (4)F8B—C43B—C44B—C45B179.3 (3)
C42A—C43A—C44A—C45A2.6 (6)C42B—C43B—C44B—C45B1.0 (6)
C41A—C40A—C45A—F10A179.1 (3)F9B—C44B—C45B—F10B2.0 (5)
C39A—C40A—C45A—F10A1.1 (6)C43B—C44B—C45B—F10B178.4 (3)
C41A—C40A—C45A—C44A1.0 (6)F9B—C44B—C45B—C40B177.9 (3)
C39A—C40A—C45A—C44A177.0 (3)C43B—C44B—C45B—C40B1.7 (6)
F9A—C44A—C45A—F10A0.6 (6)C41B—C40B—C45B—F10B179.4 (3)
C43A—C44A—C45A—F10A178.9 (4)C39B—C40B—C45B—F10B1.6 (5)
F9A—C44A—C45A—C40A178.8 (4)C41B—C40B—C45B—C44B0.8 (5)
C43A—C44A—C45A—C40A2.9 (6)C39B—C40B—C45B—C44B178.3 (3)
Acknowledgements top

Finalcial support provided by the DFG (BU 2174/8–1) is gratefully acknowledged. The author thanks S. P. Westrip and the IUCr for the development of publCIF.

references
References top

Blessing, R. H. (1995). Acta Cryst. A51, 33–38.

Bruker (2008). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.

Buchmeiser, M. R., Wang, D., Zhang, Y., Naumov, S. & Wurst, K. (2007). Eur. J. Inorg. Chem. pp. 3988–4000.

Jafarpour, L., Huang, J., Stevens, E. D. & Nolan, S. P. (1999). Organometallics, 18, 3760–3763.

Monsaert, S., Vila, A. L., Drozdzak, R., Van Der Voort, P. & Verpoort, F. (2009). Chem. Soc. Rev. 38, 3360–3372.

Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.

Wang, D., Wurst, K. & Buchmeiser, M. R. (2010). Chem. Eur. J. 16, 12928–12934.

Wang, D., Wurst, K., Knolle, W., Decker, U., Prager, L., Naumov, S. & Buchmeiser, M. R. (2008). Angew. Chem. Int. Ed. 47, 3267–3270.

Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.

Zhang, Y., Wang, D., Lönnecke, P., Scherzer, T. & Buchmeiser, M. R. (2006). Marcromol. Symp. 236, 30–37.