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. 2021 Dec 2;6(Pt 12):x211259. doi: 10.1107/S2414314621012591

Di­chlorido­(η6-p-cymene)[tris­(4-meth­oxy­phen­yl)phosphane]ruthenium(II)

Wade L Davis a, Alfred Muller a,*
Editor: E R T Tiekinkb
PMCID: PMC9462307  PMID: 36337593

The title compound, [RuCl2(C10H14)(C21H21O3P)] crystallizes with two independent complex mol­ecules in the asymmetric unit. In the crystal, weak C—H⋯Cl/O/π inter­actions are observed.

Keywords: crystal structure, ruthenium, p-cymene, organometallic

Abstract

The title compound, [RuCl2(C10H14)(C21H21O3P)], crystallizes with two complex mol­ecules in the asymmetric unit. The RuII atom has a classical three-legged piano-stool environment being coordinated by a cymene ligand [Ru—centroid = 1.707 (2)/1.704 (2) Å], a tris­(4-meth­oxy­phen­yl)phosphane ligand [Ru—P = 2.3629 (15)/2.3665 (15) Å] and two chloride atoms with the Ru—Cl bonds adopting two distinct values of 2.4068 (16)/2.4167 (16) and 2.4016 (15)/2.4244 (16) Å. The effective cone and solid angles for the phosphane ligands were calculated to be 149.5/150.2° and 25.3/25.6°, respectively. In the crystal, weak C—H⋯Cl/O/π inter­actions are observed. The crystal was refined as a two-component twin. graphic file with name x-06-x211259-scheme1-3D1.jpg

Structure description

The activity of the half-sandwich RuII–arene complexes is well known in the catalytic transfer hydrogenation of carbonyl compounds (Chen et al., 2002; Crochet et al., 2003; Aydemir et al., 2011; Wang et al., 2011). Reported here is the η6-cymene–Ru complex containing the phosphane, P(C6H4OMe-p)3, as part of ongoing structural investigations into these type of complexes.

The title compound crystallizes in the triclinic space group P Inline graphic (Z = 4), with its two unique mol­ecules adopting a distorted pseudo-octa­hedral arrangement, revealing the typical three-legged piano-stool geometry. The coordination sphere of the ruthenium is occupied by a cymene, a tris­(4-meth­oxy­phen­yl)phosphane and two chloride atoms (see Fig. 1). The distances between Ru and the centroid of the π-bonded η6-cymene ligand are 1.707 (2) and 1.704 (2) Å for the two independent mol­ecules; the mean Ru—C bond lengths are 2.217 (6) and 2.214 (6) Å. The coordination of the remaining ligands to the Ru atom shows a slight deviation from the typical octa­hedral geometry with Cl—Ru—Cl = 88.47 (6) and 88.77 (6)°, respectively; Cl—Ru—P = 86.50 (5)/88.03 (5) and 86.05 (5)/88.21 (6)°. The Ru—P bond lengths are 2.3629 (15) and 2.3665 (15) Å, while the Ru—Cl bonds adopt two distinct values of 2.4068 (16)/2.4167 (16) and 2.4016 (15)/2.4244 (16) Å for Ru1 and Ru2, respectively. The above bond lengths are within normal ranges as data extracted from the Cambridge Structural Database (Allen, 2002) for (η6-ar­yl)RuCl2(PR 3) systems from 429 hits, containing 535 usable Ru—Cl observations, show a mean value of 2.412 (12) Å in a range from 2.378 to 2.459 Å. The same group of structures show for the Ru—P distance a mean value of 2.34 (3) Å in a range from 2.235 to 2.434 Å. The geometries of the two independent mol­ecules are virtually identical, as seen from a superimposed fit with an r.m.s. deviation of 0.0525 Å (Macrae et al., 2020; Weng, Motherwell, Allen et al., 2008; Weng, Motherwell & Cole, 2008) (see Fig. 2).

Figure 1.

Figure 1

(a) and (b): Views of the title complex showing the atom-numbering scheme for the two independent mol­ecules in the asymmetric unit and 50% probability displacement ellipsoids. Mol­ecules were rotated independently to obtain the best view for each.

Figure 2.

Figure 2

An overlay diagram showing the conformational similarity between the two mol­ecules in the asymmetric unit (r.m.s.d. = 0.0525 Å).

To describe the steric demand of phosphane ligands, we have implemented the two most widely used models, i.e. the solid angle (a percentage projection of the ligand onto a sphere; Immirzi & Musco, 1977) and the crystallographic cone angle (an adaptation from the Tolman cone angle model; Tolman, 1977), where the orientation of the substituents are taken from crystallographic data instead of a CPK model, and the Ru—P bond length adjusted to 2.28 Å to normalize any influence this variation may have on the cone size (Müller & Mingos, 1995) to calculate an effective cone angle (Otto, 2001). The effective cone angle values obtained with this method for the two independent mol­ecules in the asymmetric unit are 149.5 and 150.2° compared to the Tolman cone angle of 145.0° obtained from the QALE website (Fernandez et al., 2003). The solid angles, utilizing SOLID-G (Guzei & Wendt, 2004) were calculated as 25.35 and 25.61°. It is inter­esting to note that despite these similar geometric values, the phosphane ligands of these two independent mol­ecules show a marked variation in their orientations of substituents as the P1-phosphane has a C—H⋯π inter­action between two of its substituents, whereas the P2-phosphane does not show this feature. The rest of the crystal displays an array of weak C–H⋯Cl/O inter­actions (see Fig. 3, Table 1 for a summary of inter­actions).

Figure 3.

Figure 3

(a) and (b): Partial packing diagrams showing the C—H⋯Cl/O/π inter­actions (indicated by blue dashed lines). H atoms not involved in inter­actions are omitted for clarity.

Table 1. Hydrogen-bond geometry (Å, °).

Cg1 is the centroid of the C1–C6 ring.

D—H⋯A D—H H⋯A DA D—H⋯A
C5—H5⋯Cl2i 0.95 2.62 3.566 (7) 171
C36—H36⋯Cl4ii 0.95 2.6 3.506 (7) 159
C43—H43⋯Cl1iii 0.95 2.78 3.619 (7) 147
C62—H62B⋯O5iii 0.98 2.58 3.362 (9) 136
C18—H18⋯Cl2 0.95 2.8 3.643 (7) 149
C24—H24⋯Cl1 0.95 2.62 3.427 (6) 143
C49—H49⋯Cl3 0.95 2.61 3.416 (6) 143
C55—H55⋯Cl4 0.95 2.71 3.562 (6) 149
C20—H20⋯Cg1 0.95 2.95 3.614 (7) 128

Symmetry codes: (i) Inline graphic ; (ii) Inline graphic ; (iii) Inline graphic .

Synthesis and crystallization

A solution of P(C6H4OMe-p)3 (62.7 mg, 0.178 mmol) in CH2Cl2 (10 ml) was added to a stirred orange solution of [Ru(p-cymene)Cl2]2 (50 mg, 0.081 mmol) under Ar in the same solvent (15 ml) and stirred at r.t. for 24 h. The resulting red reaction mixture was filtered, the filtrate concentrated under reduced pressure to ca 5 ml. Cold diethyl ether (10 ml) was carefully added and the solvent left to slowly evaporate whereby a sample of [RuCl2(C10H14)(C21H21O3P)] suitable for single-crystal X-ray diffraction was obtained as orange crystals.

Analytical data: 31P{1H} NMR (CDCl3, 161.99 MHz): δ (p.p.m.) 21.39 (s). 1H NMR (CDCl3, 400 MHz): δ (p.p.m.) 1.11 (d, 6H, 2 × CH3 of isoprop­yl); 1.84 (s, 3H, CH3 of cymene); 2.87 (m, 1H, CH of isoprop­yl); 3.78 (s, 9H, 3 × CH3 of OMe); 4.93 (d, 2H, Ar—H of cymene); 5.20 (d, 2H, Ar—H of cymene); 6.85 (dd, 6H, Ar—H of C6H4OMe-p); 7.69 (t, 6H, Ar—H of C6H4OMe-p).

Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2. The deepest residual electron-density hole (−1.94 e Å−3) is located at 0.59 Å from Ru1 and the highest peak (3.95 e Å−3) 0.90 Å from Ru1. Initial refinement of data indicated a two-component twin with a 180° rotation about the [100] reciprocal direction. Refinement with the appropriate twin law yields a batch scaling factor of 0.18.

Table 2. Experimental details.

Crystal data
Chemical formula [RuCl2(C10H14)(C21H21O3P)]
M r 658.53
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 100
a, b, c (Å) 12.4069 (17), 14.0221 (19), 16.934 (2)
α, β, γ (°) 91.459 (3), 91.205 (3), 90.613 (3)
V3) 2944.2 (7)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.80
Crystal size (mm) 0.58 × 0.28 × 0.21
 
Data collection
Diffractometer Bruker APEX DUO 4K-CCD
Absorption correction Multi-scan SADABS (Bruker, 2008)
T min, T max 0.654, 0.850
No. of measured, independent and observed [I > 2σ(I)] reflections 88599, 14838, 13368
R int 0.053
(sin θ/λ)max−1) 0.674
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.070, 0.181, 1.09
No. of reflections 14838
No. of parameters 698
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 3.95, −1.95

Computer programs: APEX2 (Bruker, 2011), SAINT and XPREP (Bruker, 2008), SIR97 (Altomare et al., 1999), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg & Putz, 2005), publCIF (Westrip, 2010) and WinGX (Farrugia, 2012).

Supplementary Material

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S2414314621012591/tk4072sup1.cif

x-06-x211259-sup1.cif (71KB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S2414314621012591/tk4072Isup2.hkl

x-06-x211259-Isup2.hkl (710.7KB, hkl)

CCDC reference: 2124507

Additional supporting information: crystallographic information; 3D view; checkCIF report

Acknowledgments

Financial assistance from the Research Fund of the University of Johannesburg is gratefully acknowledged.

full crystallographic data

Crystal data

[RuCl2(C10H14)(C21H21O3P)] Z = 4
Mr = 658.53 F(000) = 1352
Triclinic, P1 Dx = 1.486 Mg m3
Hall symbol: -P 1 Mo Kα radiation, λ = 0.71073 Å
a = 12.4069 (17) Å Cell parameters from 9270 reflections
b = 14.0221 (19) Å θ = 2.6–28.5°
c = 16.934 (2) Å µ = 0.80 mm1
α = 91.459 (3)° T = 100 K
β = 91.205 (3)° Block, orange
γ = 90.613 (3)° 0.58 × 0.28 × 0.21 mm
V = 2944.2 (7) Å3

Data collection

Bruker APEX DUO 4K-CCD diffractometer 14838 independent reflections
Graphite monochromator 13368 reflections with I > 2σ(I)
Detector resolution: 8.4 pixels mm-1 Rint = 0.053
φ and ω scans θmax = 28.6°, θmin = 1.2°
Absorption correction: multi-scan SADABS (Bruker, 2008) h = −16→16
Tmin = 0.654, Tmax = 0.850 k = −18→18
88599 measured reflections l = −22→22

Refinement

Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.070 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.181 H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.0475P)2 + 35.9275P] where P = (Fo2 + 2Fc2)/3
14838 reflections (Δ/σ)max = 0.047
698 parameters Δρmax = 3.95 e Å3
0 restraints Δρmin = −1.94 e Å3

Special details

Experimental. The intensity data was collected on a Bruker Apex DUO 4 K-CCD diffractometer using an exposure time of 10 s/frame. A total of 3975 frames were collected with a frame width of 0.5° covering up to θ = 28.62° with 98.4% completeness accomplished.
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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.The aromatic-, methine- and methyl-H atoms were placed in geometrically idealized positions with C—H = 0.95, 1.00, and 0.98 Å, respectively, and allowed to ride on their parent atoms, with Uiso(H) = 1.5Ueq(C) for methyl-H and Uiso(H) = 1.2Ueq(C) for aromatic- and methine-H atoms. Methyl torsion angles were refined from electron density.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

x y z Uiso*/Ueq
C1 0.9475 (5) 0.2043 (4) 0.3616 (4) 0.0200 (12)
C2 0.8727 (5) 0.2354 (4) 0.3038 (4) 0.0182 (11)
H2 0.8617 0.1993 0.256 0.022*
C3 0.8146 (5) 0.3197 (4) 0.3169 (4) 0.0223 (13)
H3 0.7666 0.3407 0.2766 0.027*
C4 0.8250 (5) 0.3741 (4) 0.3878 (4) 0.0228 (13)
C5 0.8988 (5) 0.3408 (4) 0.4470 (4) 0.0211 (12)
H5 0.908 0.376 0.4954 0.025*
C6 0.9574 (5) 0.2576 (4) 0.4346 (4) 0.0205 (12)
H6 1.0045 0.2361 0.4752 0.025*
C7 1.0125 (5) 0.3287 (4) 0.1271 (3) 0.0172 (11)
C8 1.1043 (5) 0.3261 (4) 0.0816 (4) 0.0222 (12)
H8 1.1598 0.3723 0.0913 0.027*
C9 1.1166 (6) 0.2571 (5) 0.0220 (4) 0.0274 (14)
H9 1.1793 0.2574 −0.0092 0.033*
C10 1.0370 (6) 0.1878 (5) 0.0083 (4) 0.0271 (14)
C11 0.9439 (6) 0.1888 (5) 0.0538 (4) 0.0260 (14)
H11 0.8895 0.1413 0.0451 0.031*
C12 0.9318 (5) 0.2589 (5) 0.1109 (4) 0.0219 (12)
H12 0.8674 0.2604 0.1402 0.026*
C13 0.8761 (5) 0.4836 (4) 0.1781 (4) 0.0186 (11)
C14 0.8191 (5) 0.4697 (4) 0.1067 (4) 0.0210 (12)
H14 0.8367 0.418 0.0722 0.025*
C15 0.7368 (6) 0.5309 (5) 0.0856 (4) 0.0258 (13)
H15 0.6986 0.5211 0.0368 0.031*
C16 0.7102 (5) 0.6067 (4) 0.1358 (4) 0.0240 (13)
C17 0.7668 (5) 0.6216 (4) 0.2071 (4) 0.0238 (13)
H17 0.7493 0.6736 0.2413 0.029*
C18 0.8488 (5) 0.5601 (5) 0.2276 (4) 0.0226 (12)
H18 0.8871 0.5703 0.2763 0.027*
C19 1.0993 (5) 0.5078 (4) 0.1843 (4) 0.0203 (12)
C20 1.0782 (5) 0.5693 (5) 0.1217 (4) 0.0232 (13)
H20 1.0116 0.5632 0.0933 0.028*
C21 1.1521 (5) 0.6388 (4) 0.1003 (4) 0.0222 (12)
H21 1.1359 0.6796 0.0579 0.027*
C22 1.2496 (5) 0.6478 (4) 0.1415 (4) 0.0215 (12)
C23 1.2724 (5) 0.5878 (5) 0.2036 (4) 0.0230 (13)
H23 1.3393 0.5941 0.2317 0.028*
C24 1.1978 (5) 0.5184 (5) 0.2251 (4) 0.0231 (12)
H24 1.2141 0.478 0.2679 0.028*
C25 0.7616 (6) 0.4622 (5) 0.4029 (5) 0.0322 (16)
H25A 0.7462 0.4932 0.3527 0.048*
H25B 0.8032 0.506 0.438 0.048*
H25C 0.6936 0.4453 0.4278 0.048*
C26 1.0125 (5) 0.1142 (4) 0.3513 (4) 0.0207 (12)
H26 1.0865 0.1269 0.3739 0.025*
C27 0.9588 (6) 0.0383 (5) 0.4007 (4) 0.0280 (14)
H27A 0.9638 0.0577 0.4567 0.042*
H27B 0.9954 −0.0227 0.3927 0.042*
H27C 0.8828 0.0312 0.3844 0.042*
C28 1.0233 (6) 0.0813 (5) 0.2656 (4) 0.0278 (14)
H28A 0.9523 0.0624 0.2437 0.042*
H28B 1.0719 0.0268 0.2628 0.042*
H28C 1.0528 0.1336 0.235 0.042*
C29 1.1271 (9) 0.1161 (7) −0.0998 (5) 0.049 (2)
H29A 1.1253 0.1741 −0.1309 0.073*
H29B 1.1218 0.06 −0.1354 0.073*
H29C 1.1949 0.1144 −0.0692 0.073*
C30 0.5940 (7) 0.7367 (5) 0.1615 (6) 0.0390 (19)
H30A 0.5683 0.7091 0.2103 0.058*
H30B 0.5354 0.7718 0.1362 0.058*
H30C 0.6545 0.7804 0.1739 0.058*
C31 1.3045 (6) 0.7780 (5) 0.0639 (5) 0.0304 (15)
H31A 1.2944 0.7418 0.014 0.046*
H31B 1.3646 0.8233 0.0594 0.046*
H31C 1.2385 0.813 0.0757 0.046*
C32 0.4449 (5) 0.2814 (4) 0.1359 (4) 0.0190 (12)
C33 0.3718 (5) 0.2540 (4) 0.1934 (4) 0.0183 (11)
H33 0.3641 0.292 0.2402 0.022*
C34 0.3089 (5) 0.1683 (4) 0.1812 (4) 0.0210 (12)
H34 0.2632 0.148 0.2221 0.025*
C35 0.3126 (5) 0.1135 (4) 0.1110 (4) 0.0212 (12)
C36 0.3841 (5) 0.1456 (5) 0.0516 (4) 0.0226 (12)
H36 0.3881 0.1106 0.003 0.027*
C37 0.4476 (5) 0.2269 (5) 0.0639 (4) 0.0214 (12)
H37 0.494 0.2467 0.0233 0.026*
C38 0.5152 (5) 0.1593 (4) 0.3719 (3) 0.0185 (11)
C39 0.6095 (6) 0.1654 (5) 0.4173 (4) 0.0250 (13)
H39 0.6641 0.1195 0.4087 0.03*
C40 0.6268 (6) 0.2363 (5) 0.4749 (4) 0.0281 (14)
H40 0.6913 0.2376 0.5062 0.034*
C41 0.5486 (7) 0.3059 (5) 0.4864 (4) 0.0299 (15)
C42 0.4540 (6) 0.3013 (5) 0.4414 (4) 0.0280 (14)
H42 0.4006 0.3485 0.4492 0.034*
C43 0.4362 (5) 0.2290 (4) 0.3853 (3) 0.0214 (12)
H43 0.3703 0.2263 0.3557 0.026*
C44 0.5937 (5) −0.0197 (4) 0.3173 (4) 0.0189 (11)
C45 0.5752 (5) −0.0781 (5) 0.3822 (4) 0.0228 (13)
H45 0.5114 −0.0699 0.4116 0.027*
C46 0.6487 (5) −0.1481 (5) 0.4044 (4) 0.0235 (13)
H46 0.6348 −0.1869 0.4483 0.028*
C47 0.7417 (5) −0.1600 (4) 0.3618 (4) 0.0220 (12)
C48 0.7613 (5) −0.1022 (5) 0.2979 (4) 0.0238 (13)
H48 0.8256 −0.1102 0.2692 0.029*
C49 0.6883 (5) −0.0329 (4) 0.2755 (4) 0.0209 (12)
H49 0.7029 0.0057 0.2316 0.025*
C50 0.3715 (5) 0.0036 (4) 0.3202 (4) 0.0200 (12)
C51 0.3168 (5) 0.0175 (5) 0.3909 (4) 0.0221 (12)
H51 0.3372 0.0691 0.4257 0.027*
C52 0.2334 (5) −0.0431 (5) 0.4106 (4) 0.0255 (13)
H52 0.1972 −0.0331 0.4589 0.031*
C53 0.2024 (5) −0.1183 (5) 0.3603 (4) 0.0252 (14)
C54 0.2562 (5) −0.1337 (4) 0.2897 (4) 0.0236 (13)
H54 0.2357 −0.1855 0.2551 0.028*
C55 0.3400 (5) −0.0729 (5) 0.2706 (4) 0.0226 (12)
H55 0.3767 −0.0836 0.2225 0.027*
C56 0.2434 (6) 0.0267 (5) 0.0959 (5) 0.0296 (15)
H56A 0.2352 −0.0074 0.1452 0.044*
H56B 0.2772 −0.0151 0.0566 0.044*
H56C 0.1723 0.0459 0.0759 0.044*
C57 0.5140 (6) 0.3707 (4) 0.1460 (4) 0.0242 (13)
H57 0.5865 0.3565 0.1241 0.029*
C58 0.4621 (6) 0.4480 (5) 0.0951 (4) 0.0269 (14)
H58A 0.4603 0.4265 0.0396 0.04*
H58B 0.5046 0.5072 0.1009 0.04*
H58C 0.3884 0.4595 0.1126 0.04*
C59 0.5305 (6) 0.4050 (5) 0.2319 (4) 0.0297 (15)
H59A 0.4615 0.4258 0.2531 0.045*
H59B 0.5821 0.4584 0.2344 0.045*
H59C 0.5585 0.3526 0.2633 0.045*
C60 0.6452 (9) 0.3841 (7) 0.5933 (6) 0.053 (2)
H60A 0.6483 0.3251 0.6231 0.079*
H60B 0.6376 0.4386 0.63 0.079*
H60C 0.7117 0.3915 0.5637 0.079*
C61 0.7966 (6) −0.2890 (5) 0.4415 (5) 0.0300 (15)
H61A 0.7958 −0.2524 0.4916 0.045*
H61B 0.8528 −0.3374 0.4442 0.045*
H61C 0.7263 −0.3202 0.432 0.045*
C62 0.0789 (7) −0.2475 (5) 0.3309 (6) 0.041 (2)
H62A 0.0605 −0.2194 0.28 0.062*
H62B 0.0144 −0.277 0.3526 0.062*
H62C 0.1342 −0.2961 0.3233 0.062*
P1 0.99715 (12) 0.41789 (10) 0.20650 (9) 0.0166 (3)
P2 0.49275 (13) 0.06929 (10) 0.29344 (9) 0.0169 (3)
Cl1 1.17183 (12) 0.30968 (11) 0.32444 (10) 0.0246 (3)
Cl2 1.04584 (14) 0.50981 (11) 0.38312 (9) 0.0242 (3)
Cl3 0.66582 (12) 0.17348 (11) 0.17376 (10) 0.0254 (3)
Cl4 0.52593 (13) −0.02586 (10) 0.11852 (8) 0.0211 (3)
Ru1 0.98521 (4) 0.35528 (3) 0.33430 (3) 0.01596 (11)
Ru2 0.47608 (4) 0.13050 (3) 0.16486 (3) 0.01558 (11)
O1 1.0393 (5) 0.1160 (4) −0.0478 (3) 0.0378 (13)
O2 0.6284 (4) 0.6629 (3) 0.1096 (3) 0.0314 (11)
O3 1.3276 (4) 0.7138 (3) 0.1262 (3) 0.0269 (10)
O4 0.5567 (6) 0.3797 (4) 0.5406 (3) 0.0430 (14)
O5 0.8184 (4) −0.2262 (3) 0.3785 (3) 0.0266 (10)
O6 0.1193 (4) −0.1746 (3) 0.3846 (3) 0.0321 (12)

Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23
C1 0.022 (3) 0.012 (2) 0.027 (3) 0.000 (2) 0.002 (2) 0.010 (2)
C2 0.018 (3) 0.016 (3) 0.021 (3) −0.002 (2) −0.003 (2) 0.004 (2)
C3 0.023 (3) 0.015 (3) 0.029 (3) −0.002 (2) 0.002 (2) 0.011 (2)
C4 0.021 (3) 0.016 (3) 0.032 (3) 0.001 (2) 0.010 (3) 0.006 (2)
C5 0.026 (3) 0.020 (3) 0.017 (3) −0.003 (2) 0.005 (2) 0.003 (2)
C6 0.021 (3) 0.021 (3) 0.020 (3) 0.004 (2) 0.003 (2) 0.010 (2)
C7 0.023 (3) 0.012 (2) 0.017 (3) 0.003 (2) −0.001 (2) 0.0039 (19)
C8 0.023 (3) 0.019 (3) 0.025 (3) 0.002 (2) 0.001 (2) 0.009 (2)
C9 0.035 (4) 0.025 (3) 0.023 (3) 0.004 (3) 0.002 (3) 0.007 (3)
C10 0.041 (4) 0.022 (3) 0.018 (3) 0.005 (3) −0.002 (3) 0.003 (2)
C11 0.032 (4) 0.022 (3) 0.024 (3) −0.003 (3) −0.006 (3) 0.009 (2)
C12 0.023 (3) 0.023 (3) 0.020 (3) −0.002 (2) −0.004 (2) 0.008 (2)
C13 0.018 (3) 0.017 (3) 0.020 (3) −0.002 (2) 0.000 (2) 0.007 (2)
C14 0.023 (3) 0.019 (3) 0.022 (3) 0.000 (2) −0.001 (2) 0.005 (2)
C15 0.027 (3) 0.026 (3) 0.025 (3) 0.002 (3) −0.006 (3) 0.006 (3)
C16 0.020 (3) 0.017 (3) 0.036 (4) −0.003 (2) −0.004 (3) 0.011 (2)
C17 0.027 (3) 0.015 (3) 0.029 (3) −0.001 (2) 0.001 (3) 0.003 (2)
C18 0.023 (3) 0.020 (3) 0.024 (3) −0.001 (2) −0.003 (2) 0.005 (2)
C19 0.020 (3) 0.020 (3) 0.022 (3) −0.001 (2) 0.004 (2) 0.005 (2)
C20 0.022 (3) 0.023 (3) 0.025 (3) −0.004 (2) −0.003 (2) 0.006 (2)
C21 0.024 (3) 0.018 (3) 0.026 (3) −0.004 (2) −0.001 (2) 0.009 (2)
C22 0.022 (3) 0.017 (3) 0.026 (3) −0.002 (2) 0.001 (2) 0.003 (2)
C23 0.019 (3) 0.020 (3) 0.030 (3) −0.001 (2) −0.002 (2) 0.010 (2)
C24 0.024 (3) 0.021 (3) 0.025 (3) 0.000 (2) −0.001 (2) 0.007 (2)
C25 0.036 (4) 0.019 (3) 0.042 (4) 0.007 (3) 0.014 (3) 0.006 (3)
C26 0.022 (3) 0.017 (3) 0.024 (3) 0.004 (2) 0.000 (2) 0.005 (2)
C27 0.030 (3) 0.019 (3) 0.035 (4) 0.005 (3) 0.002 (3) 0.012 (3)
C28 0.036 (4) 0.019 (3) 0.029 (3) 0.007 (3) 0.005 (3) 0.005 (2)
C29 0.076 (7) 0.038 (4) 0.033 (4) −0.003 (4) 0.015 (4) −0.006 (3)
C30 0.031 (4) 0.026 (4) 0.060 (5) 0.007 (3) −0.015 (4) 0.001 (3)
C31 0.027 (3) 0.021 (3) 0.044 (4) −0.003 (3) 0.002 (3) 0.014 (3)
C32 0.018 (3) 0.015 (3) 0.025 (3) 0.003 (2) −0.001 (2) 0.012 (2)
C33 0.020 (3) 0.010 (2) 0.026 (3) 0.007 (2) 0.003 (2) 0.007 (2)
C34 0.021 (3) 0.013 (3) 0.030 (3) 0.000 (2) 0.003 (2) 0.012 (2)
C35 0.021 (3) 0.018 (3) 0.025 (3) 0.000 (2) −0.004 (2) 0.006 (2)
C36 0.023 (3) 0.025 (3) 0.020 (3) 0.007 (2) −0.004 (2) 0.002 (2)
C37 0.020 (3) 0.025 (3) 0.020 (3) 0.005 (2) −0.001 (2) 0.011 (2)
C38 0.023 (3) 0.016 (2) 0.018 (3) −0.001 (2) 0.003 (2) 0.006 (2)
C39 0.025 (3) 0.027 (3) 0.023 (3) 0.001 (3) 0.001 (2) 0.007 (2)
C40 0.033 (4) 0.027 (3) 0.024 (3) −0.008 (3) −0.003 (3) 0.010 (3)
C41 0.049 (4) 0.020 (3) 0.021 (3) −0.005 (3) 0.007 (3) 0.006 (2)
C42 0.041 (4) 0.018 (3) 0.026 (3) 0.000 (3) 0.009 (3) 0.010 (2)
C43 0.029 (3) 0.021 (3) 0.014 (3) 0.004 (2) 0.002 (2) 0.007 (2)
C44 0.022 (3) 0.017 (3) 0.018 (3) 0.001 (2) 0.000 (2) 0.007 (2)
C45 0.025 (3) 0.021 (3) 0.023 (3) 0.006 (2) 0.005 (2) 0.012 (2)
C46 0.026 (3) 0.020 (3) 0.025 (3) 0.003 (2) 0.003 (2) 0.011 (2)
C47 0.022 (3) 0.017 (3) 0.027 (3) 0.004 (2) −0.002 (2) 0.004 (2)
C48 0.022 (3) 0.022 (3) 0.028 (3) 0.004 (2) 0.003 (2) 0.004 (2)
C49 0.022 (3) 0.020 (3) 0.021 (3) 0.002 (2) 0.000 (2) 0.008 (2)
C50 0.016 (3) 0.021 (3) 0.023 (3) 0.003 (2) 0.002 (2) 0.010 (2)
C51 0.021 (3) 0.022 (3) 0.024 (3) 0.003 (2) 0.001 (2) 0.008 (2)
C52 0.025 (3) 0.027 (3) 0.026 (3) 0.002 (3) 0.007 (3) 0.011 (3)
C53 0.020 (3) 0.022 (3) 0.035 (4) 0.005 (2) 0.007 (3) 0.015 (3)
C54 0.023 (3) 0.016 (3) 0.032 (3) 0.002 (2) 0.003 (3) 0.006 (2)
C55 0.023 (3) 0.022 (3) 0.024 (3) 0.002 (2) 0.004 (2) 0.006 (2)
C56 0.028 (3) 0.021 (3) 0.039 (4) 0.000 (3) −0.008 (3) 0.007 (3)
C57 0.025 (3) 0.019 (3) 0.029 (3) −0.003 (2) 0.000 (3) 0.011 (2)
C58 0.030 (3) 0.017 (3) 0.034 (4) −0.001 (3) −0.001 (3) 0.013 (3)
C59 0.038 (4) 0.018 (3) 0.033 (4) −0.005 (3) −0.006 (3) 0.007 (3)
C60 0.076 (7) 0.045 (5) 0.038 (5) −0.003 (5) −0.008 (5) 0.004 (4)
C61 0.027 (3) 0.022 (3) 0.041 (4) 0.004 (3) −0.005 (3) 0.014 (3)
C62 0.031 (4) 0.022 (3) 0.072 (6) −0.006 (3) 0.020 (4) 0.000 (4)
P1 0.0182 (7) 0.0132 (6) 0.0186 (7) 0.0002 (5) 0.0004 (5) 0.0053 (5)
P2 0.0183 (7) 0.0147 (6) 0.0181 (7) 0.0006 (5) 0.0022 (5) 0.0065 (5)
Cl1 0.0194 (7) 0.0231 (7) 0.0319 (8) 0.0034 (6) 0.0028 (6) 0.0115 (6)
Cl2 0.0332 (8) 0.0170 (6) 0.0224 (7) −0.0044 (6) 0.0021 (6) 0.0003 (5)
Cl3 0.0167 (7) 0.0247 (7) 0.0354 (8) −0.0018 (6) −0.0008 (6) 0.0123 (6)
Cl4 0.0266 (7) 0.0166 (6) 0.0203 (6) 0.0057 (5) 0.0009 (5) 0.0028 (5)
Ru1 0.0176 (2) 0.0132 (2) 0.0172 (2) 0.00062 (16) 0.00045 (17) 0.00434 (15)
Ru2 0.0164 (2) 0.0141 (2) 0.0165 (2) 0.00081 (17) 0.00111 (17) 0.00590 (15)
O1 0.058 (4) 0.025 (2) 0.031 (3) −0.001 (2) 0.005 (3) 0.001 (2)
O2 0.029 (3) 0.020 (2) 0.045 (3) 0.005 (2) −0.012 (2) 0.009 (2)
O3 0.023 (2) 0.020 (2) 0.039 (3) −0.0046 (18) −0.001 (2) 0.011 (2)
O4 0.067 (4) 0.036 (3) 0.025 (3) −0.007 (3) 0.003 (3) −0.004 (2)
O5 0.023 (2) 0.022 (2) 0.035 (3) 0.0075 (18) −0.0001 (19) 0.0100 (19)
O6 0.029 (3) 0.019 (2) 0.049 (3) −0.0011 (19) 0.014 (2) 0.012 (2)

Geometric parameters (Å, º)

C1—C2 1.416 (8) C32—Ru2 2.221 (6)
C1—C6 1.430 (9) C33—C34 1.434 (8)
C1—C26 1.514 (8) C33—Ru2 2.222 (6)
C1—Ru1 2.226 (6) C33—H33 0.95
C2—C3 1.406 (8) C34—C35 1.402 (9)
C2—Ru1 2.217 (6) C34—Ru2 2.168 (6)
C2—H2 0.95 C34—H34 0.95
C3—C4 1.408 (10) C35—C36 1.432 (9)
C3—Ru1 2.182 (7) C35—C56 1.494 (9)
C3—H3 0.95 C35—Ru2 2.215 (6)
C4—C5 1.434 (9) C36—C37 1.388 (9)
C4—C25 1.491 (9) C36—Ru2 2.227 (6)
C4—Ru1 2.217 (6) C36—H36 0.95
C5—C6 1.395 (9) C37—Ru2 2.231 (6)
C5—Ru1 2.221 (6) C37—H37 0.95
C5—H5 0.95 C38—C39 1.387 (9)
C6—Ru1 2.239 (6) C38—C43 1.410 (9)
C6—H6 0.95 C38—P2 1.825 (6)
C7—C8 1.389 (9) C39—C40 1.387 (10)
C7—C12 1.411 (9) C39—H39 0.95
C7—P1 1.827 (6) C40—C41 1.396 (11)
C8—C9 1.391 (10) C40—H40 0.95
C8—H8 0.95 C41—O4 1.368 (9)
C9—C10 1.389 (10) C41—C42 1.386 (11)
C9—H9 0.95 C42—C43 1.384 (9)
C10—O1 1.368 (8) C42—H42 0.95
C10—C11 1.401 (10) C43—H43 0.95
C11—C12 1.372 (10) C44—C49 1.396 (9)
C11—H11 0.95 C44—C45 1.408 (8)
C12—H12 0.95 C44—P2 1.824 (6)
C13—C18 1.393 (9) C45—C46 1.399 (8)
C13—C14 1.398 (9) C45—H45 0.95
C13—P1 1.832 (6) C46—C47 1.383 (9)
C14—C15 1.387 (9) C46—H46 0.95
C14—H14 0.95 C47—O5 1.367 (7)
C15—C16 1.391 (10) C47—C48 1.392 (9)
C15—H15 0.95 C48—C49 1.389 (9)
C16—O2 1.366 (8) C48—H48 0.95
C16—C17 1.393 (10) C49—H49 0.95
C17—C18 1.386 (9) C50—C55 1.392 (9)
C17—H17 0.95 C50—C51 1.400 (9)
C18—H18 0.95 C50—P2 1.827 (6)
C19—C24 1.396 (9) C51—C52 1.384 (9)
C19—C20 1.405 (8) C51—H51 0.95
C19—P1 1.830 (6) C52—C53 1.384 (10)
C20—C21 1.390 (8) C52—H52 0.95
C20—H20 0.95 C53—O6 1.369 (8)
C21—C22 1.387 (9) C53—C54 1.393 (9)
C21—H21 0.95 C54—C55 1.387 (9)
C22—O3 1.364 (8) C54—H54 0.95
C22—C23 1.390 (9) C55—H55 0.95
C23—C24 1.397 (9) C56—H56A 0.98
C23—H23 0.95 C56—H56B 0.98
C24—H24 0.95 C56—H56C 0.98
C25—H25A 0.98 C57—C59 1.530 (10)
C25—H25B 0.98 C57—C58 1.539 (8)
C25—H25C 0.98 C57—H57 1
C26—C28 1.521 (9) C58—H58A 0.98
C26—C27 1.526 (8) C58—H58B 0.98
C26—H26 1 C58—H58C 0.98
C27—H27A 0.98 C59—H59A 0.98
C27—H27B 0.98 C59—H59B 0.98
C27—H27C 0.98 C59—H59C 0.98
C28—H28A 0.98 C60—O4 1.400 (12)
C28—H28B 0.98 C60—H60A 0.98
C28—H28C 0.98 C60—H60B 0.98
C29—O1 1.414 (11) C60—H60C 0.98
C29—H29A 0.98 C61—O5 1.429 (8)
C29—H29B 0.98 C61—H61A 0.98
C29—H29C 0.98 C61—H61B 0.98
C30—O2 1.417 (10) C61—H61C 0.98
C30—H30A 0.98 C62—O6 1.431 (10)
C30—H30B 0.98 C62—H62A 0.98
C30—H30C 0.98 C62—H62B 0.98
C31—O3 1.431 (8) C62—H62C 0.98
C31—H31A 0.98 P1—Ru1 2.3629 (15)
C31—H31B 0.98 P2—Ru2 2.3665 (15)
C31—H31C 0.98 Cl1—Ru1 2.4167 (16)
C32—C33 1.403 (8) Cl2—Ru1 2.4068 (16)
C32—C37 1.423 (9) Cl3—Ru2 2.4244 (16)
C32—C57 1.514 (9) Cl4—Ru2 2.4016 (15)
C2—C1—C6 118.3 (5) O4—C41—C42 115.8 (7)
C2—C1—C26 122.8 (6) O4—C41—C40 124.8 (7)
C6—C1—C26 118.8 (5) C42—C41—C40 119.4 (7)
C2—C1—Ru1 71.1 (3) C43—C42—C41 120.9 (7)
C6—C1—Ru1 71.8 (3) C43—C42—H42 119.5
C26—C1—Ru1 131.3 (4) C41—C42—H42 119.5
C3—C2—C1 120.1 (6) C42—C43—C38 120.4 (6)
C3—C2—Ru1 70.0 (4) C42—C43—H43 119.8
C1—C2—Ru1 71.7 (3) C38—C43—H43 119.8
C3—C2—H2 119.9 C49—C44—C45 118.1 (6)
C1—C2—H2 119.9 C49—C44—P2 123.9 (4)
Ru1—C2—H2 131 C45—C44—P2 118.0 (5)
C2—C3—C4 122.2 (6) C46—C45—C44 121.6 (6)
C2—C3—Ru1 72.7 (4) C46—C45—H45 119.2
C4—C3—Ru1 72.7 (4) C44—C45—H45 119.2
C2—C3—H3 118.9 C47—C46—C45 119.3 (6)
C4—C3—H3 118.9 C47—C46—H46 120.4
Ru1—C3—H3 128 C45—C46—H46 120.4
C3—C4—C5 117.4 (6) O5—C47—C46 123.9 (6)
C3—C4—C25 122.5 (6) O5—C47—C48 116.3 (6)
C5—C4—C25 120.1 (6) C46—C47—C48 119.8 (6)
C3—C4—Ru1 70.0 (4) C49—C48—C47 121.1 (6)
C5—C4—Ru1 71.3 (3) C49—C48—H48 119.4
C25—C4—Ru1 130.4 (5) C47—C48—H48 119.4
C6—C5—C4 121.0 (6) C48—C49—C44 120.2 (6)
C6—C5—Ru1 72.5 (3) C48—C49—H49 119.9
C4—C5—Ru1 71.0 (3) C44—C49—H49 119.9
C6—C5—H5 119.5 C55—C50—C51 118.3 (6)
C4—C5—H5 119.5 C55—C50—P2 116.8 (5)
Ru1—C5—H5 129.5 C51—C50—P2 124.5 (5)
C5—C6—C1 120.9 (6) C52—C51—C50 120.6 (6)
C5—C6—Ru1 71.1 (3) C52—C51—H51 119.7
C1—C6—Ru1 70.8 (3) C50—C51—H51 119.7
C5—C6—H6 119.5 C53—C52—C51 120.4 (6)
C1—C6—H6 119.5 C53—C52—H52 119.8
Ru1—C6—H6 131.4 C51—C52—H52 119.8
C8—C7—C12 117.6 (6) O6—C53—C52 116.4 (6)
C8—C7—P1 121.5 (5) O6—C53—C54 123.7 (7)
C12—C7—P1 120.9 (5) C52—C53—C54 119.9 (6)
C7—C8—C9 121.4 (6) C55—C54—C53 119.4 (6)
C7—C8—H8 119.3 C55—C54—H54 120.3
C9—C8—H8 119.3 C53—C54—H54 120.3
C10—C9—C8 119.9 (7) C54—C55—C50 121.5 (6)
C10—C9—H9 120 C54—C55—H55 119.3
C8—C9—H9 120 C50—C55—H55 119.3
O1—C10—C9 125.8 (7) C35—C56—H56A 109.5
O1—C10—C11 114.5 (6) C35—C56—H56B 109.5
C9—C10—C11 119.7 (6) H56A—C56—H56B 109.5
C12—C11—C10 119.6 (6) C35—C56—H56C 109.5
C12—C11—H11 120.2 H56A—C56—H56C 109.5
C10—C11—H11 120.2 H56B—C56—H56C 109.5
C11—C12—C7 121.7 (6) C32—C57—C59 114.0 (5)
C11—C12—H12 119.1 C32—C57—C58 107.4 (5)
C7—C12—H12 119.1 C59—C57—C58 111.7 (6)
C18—C13—C14 118.7 (6) C32—C57—H57 107.8
C18—C13—P1 116.4 (5) C59—C57—H57 107.8
C14—C13—P1 124.5 (5) C58—C57—H57 107.8
C15—C14—C13 120.5 (6) C57—C58—H58A 109.5
C15—C14—H14 119.7 C57—C58—H58B 109.5
C13—C14—H14 119.7 H58A—C58—H58B 109.5
C14—C15—C16 120.1 (6) C57—C58—H58C 109.5
C14—C15—H15 119.9 H58A—C58—H58C 109.5
C16—C15—H15 119.9 H58B—C58—H58C 109.5
O2—C16—C15 115.6 (6) C57—C59—H59A 109.5
O2—C16—C17 124.5 (6) C57—C59—H59B 109.5
C15—C16—C17 119.9 (6) H59A—C59—H59B 109.5
C18—C17—C16 119.5 (6) C57—C59—H59C 109.5
C18—C17—H17 120.2 H59A—C59—H59C 109.5
C16—C17—H17 120.2 H59B—C59—H59C 109.5
C17—C18—C13 121.2 (6) O4—C60—H60A 109.5
C17—C18—H18 119.4 O4—C60—H60B 109.5
C13—C18—H18 119.4 H60A—C60—H60B 109.5
C24—C19—C20 117.8 (6) O4—C60—H60C 109.5
C24—C19—P1 124.0 (5) H60A—C60—H60C 109.5
C20—C19—P1 118.2 (5) H60B—C60—H60C 109.5
C21—C20—C19 121.9 (6) O5—C61—H61A 109.5
C21—C20—H20 119.1 O5—C61—H61B 109.5
C19—C20—H20 119.1 H61A—C61—H61B 109.5
C22—C21—C20 119.3 (6) O5—C61—H61C 109.5
C22—C21—H21 120.3 H61A—C61—H61C 109.5
C20—C21—H21 120.3 H61B—C61—H61C 109.5
O3—C22—C21 124.5 (6) O6—C62—H62A 109.5
O3—C22—C23 115.7 (6) O6—C62—H62B 109.5
C21—C22—C23 119.8 (6) H62A—C62—H62B 109.5
C22—C23—C24 120.6 (6) O6—C62—H62C 109.5
C22—C23—H23 119.7 H62A—C62—H62C 109.5
C24—C23—H23 119.7 H62B—C62—H62C 109.5
C19—C24—C23 120.5 (6) C7—P1—C19 102.9 (3)
C19—C24—H24 119.8 C7—P1—C13 104.5 (3)
C23—C24—H24 119.8 C19—P1—C13 99.0 (3)
C4—C25—H25A 109.5 C7—P1—Ru1 114.85 (18)
C4—C25—H25B 109.5 C19—P1—Ru1 121.1 (2)
H25A—C25—H25B 109.5 C13—P1—Ru1 112.2 (2)
C4—C25—H25C 109.5 C38—P2—C44 102.3 (3)
H25A—C25—H25C 109.5 C38—P2—C50 105.7 (3)
H25B—C25—H25C 109.5 C44—P2—C50 99.2 (3)
C1—C26—C28 113.8 (5) C38—P2—Ru2 114.78 (19)
C1—C26—C27 106.8 (5) C44—P2—Ru2 121.3 (2)
C28—C26—C27 112.0 (5) C50—P2—Ru2 111.5 (2)
C1—C26—H26 108.1 C3—Ru1—C2 37.3 (2)
C28—C26—H26 108.1 C3—Ru1—C4 37.3 (3)
C27—C26—H26 108.1 C2—Ru1—C4 67.5 (2)
C26—C27—H27A 109.5 C3—Ru1—C5 66.9 (2)
C26—C27—H27B 109.5 C2—Ru1—C5 78.9 (2)
H27A—C27—H27B 109.5 C4—Ru1—C5 37.7 (2)
C26—C27—H27C 109.5 C3—Ru1—C1 67.4 (2)
H27A—C27—H27C 109.5 C2—Ru1—C1 37.2 (2)
H27B—C27—H27C 109.5 C4—Ru1—C1 80.4 (2)
C26—C28—H28A 109.5 C5—Ru1—C1 67.1 (2)
C26—C28—H28B 109.5 C3—Ru1—C6 78.6 (2)
H28A—C28—H28B 109.5 C2—Ru1—C6 66.5 (2)
C26—C28—H28C 109.5 C4—Ru1—C6 67.1 (2)
H28A—C28—H28C 109.5 C5—Ru1—C6 36.5 (2)
H28B—C28—H28C 109.5 C1—Ru1—C6 37.4 (2)
O1—C29—H29A 109.5 C3—Ru1—P1 92.34 (17)
O1—C29—H29B 109.5 C2—Ru1—P1 97.58 (16)
H29A—C29—H29B 109.5 C4—Ru1—P1 113.67 (18)
O1—C29—H29C 109.5 C5—Ru1—P1 150.43 (18)
H29A—C29—H29C 109.5 C1—Ru1—P1 125.74 (17)
H29B—C29—H29C 109.5 C6—Ru1—P1 162.96 (17)
O2—C30—H30A 109.5 C3—Ru1—Cl2 122.15 (17)
O2—C30—H30B 109.5 C2—Ru1—Cl2 158.84 (17)
H30A—C30—H30B 109.5 C4—Ru1—Cl2 91.80 (17)
O2—C30—H30C 109.5 C5—Ru1—Cl2 87.36 (17)
H30A—C30—H30C 109.5 C1—Ru1—Cl2 147.33 (17)
H30B—C30—H30C 109.5 C6—Ru1—Cl2 110.54 (17)
O3—C31—H31A 109.5 P1—Ru1—Cl2 86.50 (5)
O3—C31—H31B 109.5 C3—Ru1—Cl1 149.35 (17)
H31A—C31—H31B 109.5 C2—Ru1—Cl1 112.33 (16)
O3—C31—H31C 109.5 C4—Ru1—Cl1 158.28 (18)
H31A—C31—H31C 109.5 C5—Ru1—Cl1 120.70 (18)
H31B—C31—H31C 109.5 C1—Ru1—Cl1 87.69 (17)
C33—C32—C37 118.3 (6) C6—Ru1—Cl1 92.52 (16)
C33—C32—C57 121.8 (6) P1—Ru1—Cl1 88.03 (5)
C37—C32—C57 119.7 (5) Cl2—Ru1—Cl1 88.47 (6)
C33—C32—Ru2 71.6 (3) C34—Ru2—C35 37.3 (2)
C37—C32—Ru2 71.8 (3) C34—Ru2—C33 38.1 (2)
C57—C32—Ru2 131.7 (4) C35—Ru2—C33 68.0 (2)
C32—C33—C34 119.6 (6) C34—Ru2—C32 67.9 (2)
C32—C33—Ru2 71.5 (3) C35—Ru2—C32 80.8 (2)
C34—C33—Ru2 68.9 (3) C33—Ru2—C32 36.8 (2)
C32—C33—H33 120.2 C34—Ru2—C36 66.7 (2)
C34—C33—H33 120.2 C35—Ru2—C36 37.6 (2)
Ru2—C33—H33 132.3 C33—Ru2—C36 78.6 (2)
C35—C34—C33 122.1 (6) C32—Ru2—C36 67.0 (2)
C35—C34—Ru2 73.2 (4) C34—Ru2—C37 78.7 (2)
C33—C34—Ru2 73.0 (3) C35—Ru2—C37 67.1 (2)
C35—C34—H34 119 C33—Ru2—C37 66.0 (2)
C33—C34—H34 119 C32—Ru2—C37 37.3 (2)
Ru2—C34—H34 127 C36—Ru2—C37 36.3 (2)
C34—C35—C36 117.1 (6) C34—Ru2—P2 92.57 (17)
C34—C35—C56 122.6 (6) C35—Ru2—P2 113.98 (17)
C36—C35—C56 120.3 (6) C33—Ru2—P2 98.15 (16)
C34—C35—Ru2 69.5 (4) C32—Ru2—P2 125.91 (17)
C36—C35—Ru2 71.6 (4) C36—Ru2—P2 150.73 (18)
C56—C35—Ru2 131.2 (4) C37—Ru2—P2 163.06 (18)
C37—C36—C35 121.2 (6) C34—Ru2—Cl4 121.57 (17)
C37—C36—Ru2 72.0 (4) C35—Ru2—Cl4 91.48 (17)
C35—C36—Ru2 70.8 (4) C33—Ru2—Cl4 159.07 (17)
C37—C36—H36 119.4 C32—Ru2—Cl4 147.58 (17)
C35—C36—H36 119.4 C36—Ru2—Cl4 87.74 (17)
Ru2—C36—H36 130.5 C37—Ru2—Cl4 110.89 (17)
C36—C37—C32 121.5 (6) P2—Ru2—Cl4 86.05 (5)
C36—C37—Ru2 71.7 (4) C34—Ru2—Cl3 149.64 (17)
C32—C37—Ru2 71.0 (3) C35—Ru2—Cl3 157.78 (17)
C36—C37—H37 119.2 C33—Ru2—Cl3 111.78 (17)
C32—C37—H37 119.2 C32—Ru2—Cl3 87.18 (16)
Ru2—C37—H37 131 C36—Ru2—Cl3 120.25 (18)
C39—C38—C43 117.7 (6) C37—Ru2—Cl3 92.11 (17)
C39—C38—P2 122.9 (5) P2—Ru2—Cl3 88.21 (6)
C43—C38—P2 119.3 (5) Cl4—Ru2—Cl3 88.77 (6)
C40—C39—C38 122.2 (6) C10—O1—C29 117.0 (6)
C40—C39—H39 118.9 C16—O2—C30 117.1 (6)
C38—C39—H39 118.9 C22—O3—C31 116.5 (5)
C39—C40—C41 119.4 (7) C41—O4—C60 119.1 (7)
C39—C40—H40 120.3 C47—O5—C61 116.8 (5)
C41—C40—H40 120.3 C53—O6—C62 117.7 (6)
C6—C1—C2—C3 3.4 (9) C6—C5—Ru1—C3 102.4 (4)
C26—C1—C2—C3 179.9 (6) C4—C5—Ru1—C3 −30.4 (4)
Ru1—C1—C2—C3 −52.6 (5) C6—C5—Ru1—C2 65.3 (4)
C6—C1—C2—Ru1 56.0 (5) C4—C5—Ru1—C2 −67.5 (4)
C26—C1—C2—Ru1 −127.5 (6) C6—C5—Ru1—C4 132.8 (6)
C1—C2—C3—C4 −2.3 (9) C6—C5—Ru1—C1 28.3 (4)
Ru1—C2—C3—C4 −55.6 (5) C4—C5—Ru1—C1 −104.5 (4)
C1—C2—C3—Ru1 53.4 (5) C4—C5—Ru1—C6 −132.8 (6)
C2—C3—C4—C5 0.6 (9) C6—C5—Ru1—P1 151.0 (3)
Ru1—C3—C4—C5 −55.0 (5) C4—C5—Ru1—P1 18.2 (6)
C2—C3—C4—C25 −178.5 (6) C6—C5—Ru1—Cl2 −130.8 (4)
Ru1—C3—C4—C25 125.9 (6) C4—C5—Ru1—Cl2 96.4 (3)
C2—C3—C4—Ru1 55.7 (5) C6—C5—Ru1—Cl1 −44.1 (4)
C3—C4—C5—C6 −0.3 (9) C4—C5—Ru1—Cl1 −177.0 (3)
C25—C4—C5—C6 178.8 (6) C2—C1—Ru1—C3 28.7 (4)
Ru1—C4—C5—C6 −54.7 (5) C6—C1—Ru1—C3 −101.1 (4)
C3—C4—C5—Ru1 54.4 (5) C26—C1—Ru1—C3 146.1 (7)
C25—C4—C5—Ru1 −126.5 (6) C6—C1—Ru1—C2 −129.8 (5)
C4—C5—C6—C1 1.6 (9) C26—C1—Ru1—C2 117.5 (7)
Ru1—C5—C6—C1 −52.4 (5) C2—C1—Ru1—C4 65.2 (4)
C4—C5—C6—Ru1 54.0 (5) C6—C1—Ru1—C4 −64.6 (4)
C2—C1—C6—C5 −3.1 (9) C26—C1—Ru1—C4 −177.3 (6)
C26—C1—C6—C5 −179.7 (6) C2—C1—Ru1—C5 102.1 (4)
Ru1—C1—C6—C5 52.5 (5) C6—C1—Ru1—C5 −27.7 (4)
C2—C1—C6—Ru1 −55.7 (5) C26—C1—Ru1—C5 −140.5 (7)
C26—C1—C6—Ru1 127.7 (5) C2—C1—Ru1—C6 129.8 (5)
C12—C7—C8—C9 0.0 (9) C26—C1—Ru1—C6 −112.8 (7)
P1—C7—C8—C9 178.9 (5) C2—C1—Ru1—P1 −47.1 (4)
C7—C8—C9—C10 −1.4 (10) C6—C1—Ru1—P1 −176.9 (3)
C8—C9—C10—O1 −179.6 (6) C26—C1—Ru1—P1 70.3 (6)
C8—C9—C10—C11 1.1 (10) C2—C1—Ru1—Cl2 143.4 (3)
O1—C10—C11—C12 −178.7 (6) C6—C1—Ru1—Cl2 13.6 (5)
C9—C10—C11—C12 0.6 (10) C26—C1—Ru1—Cl2 −99.1 (6)
C10—C11—C12—C7 −2.1 (9) C2—C1—Ru1—Cl1 −133.0 (4)
C8—C7—C12—C11 1.8 (9) C6—C1—Ru1—Cl1 97.2 (3)
P1—C7—C12—C11 −177.2 (5) C26—C1—Ru1—Cl1 −15.6 (6)
C18—C13—C14—C15 −0.1 (9) C5—C6—Ru1—C3 −66.4 (4)
P1—C13—C14—C15 −171.6 (5) C1—C6—Ru1—C3 67.5 (4)
C13—C14—C15—C16 −0.2 (10) C5—C6—Ru1—C2 −103.5 (4)
C14—C15—C16—O2 179.8 (6) C1—C6—Ru1—C2 30.4 (4)
C14—C15—C16—C17 0.6 (10) C5—C6—Ru1—C4 −29.1 (4)
O2—C16—C17—C18 −179.7 (6) C1—C6—Ru1—C4 104.8 (4)
C15—C16—C17—C18 −0.6 (10) C1—C6—Ru1—C5 134.0 (6)
C16—C17—C18—C13 0.3 (10) C5—C6—Ru1—C1 −134.0 (6)
C14—C13—C18—C17 0.1 (9) C5—C6—Ru1—P1 −125.4 (5)
P1—C13—C18—C17 172.2 (5) C1—C6—Ru1—P1 8.6 (8)
C24—C19—C20—C21 0.0 (10) C5—C6—Ru1—Cl2 53.9 (4)
P1—C19—C20—C21 −179.1 (5) C1—C6—Ru1—Cl2 −172.2 (3)
C19—C20—C21—C22 0.2 (10) C5—C6—Ru1—Cl1 143.2 (4)
C20—C21—C22—O3 −179.4 (6) C1—C6—Ru1—Cl1 −82.9 (3)
C20—C21—C22—C23 −0.2 (10) C7—P1—Ru1—C3 −80.9 (3)
O3—C22—C23—C24 179.2 (6) C19—P1—Ru1—C3 154.6 (3)
C21—C22—C23—C24 −0.1 (10) C13—P1—Ru1—C3 38.2 (3)
C20—C19—C24—C23 −0.3 (10) C7—P1—Ru1—C2 −43.8 (3)
P1—C19—C24—C23 178.9 (5) C19—P1—Ru1—C2 −168.4 (3)
C22—C23—C24—C19 0.3 (10) C13—P1—Ru1—C2 75.3 (3)
C2—C1—C26—C28 21.7 (8) C7—P1—Ru1—C4 −112.6 (3)
C6—C1—C26—C28 −161.8 (6) C19—P1—Ru1—C4 122.9 (3)
Ru1—C1—C26—C28 −71.3 (8) C13—P1—Ru1—C4 6.6 (3)
C2—C1—C26—C27 −102.3 (7) C7—P1—Ru1—C5 −124.6 (4)
C6—C1—C26—C27 74.2 (7) C19—P1—Ru1—C5 110.9 (4)
Ru1—C1—C26—C27 164.7 (5) C13—P1—Ru1—C5 −5.4 (4)
C37—C32—C33—C34 5.1 (8) C7—P1—Ru1—C1 −17.3 (3)
C57—C32—C33—C34 −179.5 (5) C19—P1—Ru1—C1 −141.8 (3)
Ru2—C32—C33—C34 −51.3 (5) C13—P1—Ru1—C1 101.8 (3)
C37—C32—C33—Ru2 56.4 (5) C7—P1—Ru1—C6 −23.7 (6)
C57—C32—C33—Ru2 −128.2 (5) C19—P1—Ru1—C6 −148.2 (6)
C32—C33—C34—C35 −4.2 (9) C13—P1—Ru1—C6 95.4 (6)
Ru2—C33—C34—C35 −56.7 (5) C7—P1—Ru1—Cl2 157.0 (2)
C32—C33—C34—Ru2 52.4 (5) C19—P1—Ru1—Cl2 32.5 (2)
C33—C34—C35—C36 1.2 (9) C13—P1—Ru1—Cl2 −83.8 (2)
Ru2—C34—C35—C36 −55.3 (5) C7—P1—Ru1—Cl1 68.4 (2)
C33—C34—C35—C56 −176.9 (6) C19—P1—Ru1—Cl1 −56.1 (2)
Ru2—C34—C35—C56 126.6 (6) C13—P1—Ru1—Cl1 −172.4 (2)
C33—C34—C35—Ru2 56.6 (5) C33—C34—Ru2—C35 −132.3 (5)
C34—C35—C36—C37 0.7 (9) C35—C34—Ru2—C33 132.3 (5)
C56—C35—C36—C37 178.8 (6) C35—C34—Ru2—C32 104.3 (4)
Ru2—C35—C36—C37 −53.6 (5) C33—C34—Ru2—C32 −28.0 (3)
C34—C35—C36—Ru2 54.3 (5) C35—C34—Ru2—C36 30.9 (3)
C56—C35—C36—Ru2 −127.6 (6) C33—C34—Ru2—C36 −101.4 (4)
C35—C36—C37—C32 0.4 (9) C35—C34—Ru2—C37 66.9 (4)
Ru2—C36—C37—C32 −52.7 (5) C33—C34—Ru2—C37 −65.4 (4)
C35—C36—C37—Ru2 53.0 (5) C35—C34—Ru2—P2 −127.8 (3)
C33—C32—C37—C36 −3.3 (9) C33—C34—Ru2—P2 99.9 (3)
C57—C32—C37—C36 −178.8 (6) C35—C34—Ru2—Cl4 −40.8 (4)
Ru2—C32—C37—C36 53.0 (5) C33—C34—Ru2—Cl4 −173.1 (3)
C33—C32—C37—Ru2 −56.3 (5) C35—C34—Ru2—Cl3 141.4 (3)
C57—C32—C37—Ru2 128.2 (5) C33—C34—Ru2—Cl3 9.1 (6)
C43—C38—C39—C40 0.8 (9) C36—C35—Ru2—C34 129.5 (5)
P2—C38—C39—C40 177.7 (5) C56—C35—Ru2—C34 −116.0 (8)
C38—C39—C40—C41 −2.0 (10) C34—C35—Ru2—C33 −29.5 (3)
C39—C40—C41—O4 −179.4 (6) C36—C35—Ru2—C33 100.0 (4)
C39—C40—C41—C42 1.7 (10) C56—C35—Ru2—C33 −145.5 (7)
O4—C41—C42—C43 −179.1 (6) C34—C35—Ru2—C32 −65.5 (4)
C40—C41—C42—C43 −0.1 (9) C36—C35—Ru2—C32 64.0 (4)
C41—C42—C43—C38 −1.1 (9) C56—C35—Ru2—C32 178.5 (7)
C39—C38—C43—C42 0.8 (9) C34—C35—Ru2—C36 −129.5 (5)
P2—C38—C43—C42 −176.2 (5) C56—C35—Ru2—C36 114.5 (8)
C49—C44—C45—C46 −0.4 (10) C34—C35—Ru2—C37 −101.8 (4)
P2—C44—C45—C46 −180.0 (5) C36—C35—Ru2—C37 27.7 (4)
C44—C45—C46—C47 0.1 (11) C56—C35—Ru2—C37 142.3 (7)
C45—C46—C47—O5 −180.0 (6) C34—C35—Ru2—P2 59.8 (3)
C45—C46—C47—C48 0.4 (10) C36—C35—Ru2—P2 −170.7 (3)
O5—C47—C48—C49 179.7 (6) C56—C35—Ru2—P2 −56.2 (7)
C46—C47—C48—C49 −0.7 (10) C34—C35—Ru2—Cl4 146.1 (3)
C47—C48—C49—C44 0.4 (10) C36—C35—Ru2—Cl4 −84.4 (3)
C45—C44—C49—C48 0.2 (10) C56—C35—Ru2—Cl4 30.2 (6)
P2—C44—C49—C48 179.7 (5) C34—C35—Ru2—Cl3 −123.5 (4)
C55—C50—C51—C52 −0.2 (9) C36—C35—Ru2—Cl3 6.0 (7)
P2—C50—C51—C52 −172.1 (5) C56—C35—Ru2—Cl3 120.5 (6)
C50—C51—C52—C53 −0.4 (10) C32—C33—Ru2—C34 −133.4 (6)
C51—C52—C53—O6 179.9 (6) C32—C33—Ru2—C35 −104.5 (4)
C51—C52—C53—C54 0.7 (10) C34—C33—Ru2—C35 28.9 (4)
O6—C53—C54—C55 −179.6 (6) C34—C33—Ru2—C32 133.4 (6)
C52—C53—C54—C55 −0.5 (10) C32—C33—Ru2—C36 −66.7 (4)
C53—C54—C55—C50 −0.1 (10) C34—C33—Ru2—C36 66.7 (4)
C51—C50—C55—C54 0.5 (9) C32—C33—Ru2—C37 −30.8 (4)
P2—C50—C55—C54 173.0 (5) C34—C33—Ru2—C37 102.6 (4)
C33—C32—C57—C59 22.4 (8) C32—C33—Ru2—P2 142.9 (3)
C37—C32—C57—C59 −162.3 (6) C34—C33—Ru2—P2 −83.7 (3)
Ru2—C32—C57—C59 −70.9 (8) C32—C33—Ru2—Cl4 −116.8 (5)
C33—C32—C57—C58 −101.9 (7) C34—C33—Ru2—Cl4 16.6 (7)
C37—C32—C57—C58 73.4 (7) C32—C33—Ru2—Cl3 51.5 (4)
Ru2—C32—C57—C58 164.8 (5) C34—C33—Ru2—Cl3 −175.1 (3)
C8—C7—P1—C19 16.9 (5) C33—C32—Ru2—C34 28.9 (4)
C12—C7—P1—C19 −164.2 (5) C37—C32—Ru2—C34 −100.6 (4)
C8—C7—P1—C13 119.9 (5) C57—C32—Ru2—C34 145.6 (7)
C12—C7—P1—C13 −61.2 (5) C33—C32—Ru2—C35 65.5 (4)
C8—C7—P1—Ru1 −116.7 (4) C37—C32—Ru2—C35 −64.1 (4)
C12—C7—P1—Ru1 62.1 (5) C57—C32—Ru2—C35 −177.9 (6)
C24—C19—P1—C7 −103.7 (6) C37—C32—Ru2—C33 −129.5 (6)
C20—C19—P1—C7 75.4 (6) C57—C32—Ru2—C33 116.6 (8)
C24—C19—P1—C13 149.0 (6) C33—C32—Ru2—C36 102.0 (4)
C20—C19—P1—C13 −31.9 (6) C37—C32—Ru2—C36 −27.5 (4)
C24—C19—P1—Ru1 26.2 (7) C57—C32—Ru2—C36 −141.3 (7)
C20—C19—P1—Ru1 −154.7 (4) C33—C32—Ru2—C37 129.5 (6)
C18—C13—P1—C7 −177.0 (5) C57—C32—Ru2—C37 −113.9 (7)
C14—C13—P1—C7 −5.3 (6) C33—C32—Ru2—P2 −47.5 (4)
C18—C13—P1—C19 −71.0 (5) C37—C32—Ru2—P2 −177.0 (3)
C14—C13—P1—C19 100.7 (6) C57—C32—Ru2—P2 69.1 (6)
C18—C13—P1—Ru1 58.0 (5) C33—C32—Ru2—Cl4 143.5 (3)
C14—C13—P1—Ru1 −130.4 (5) C37—C32—Ru2—Cl4 14.0 (5)
C39—C38—P2—C44 18.3 (6) C57—C32—Ru2—Cl4 −99.9 (6)
C43—C38—P2—C44 −164.8 (5) C33—C32—Ru2—Cl3 −133.3 (4)
C39—C38—P2—C50 121.7 (5) C37—C32—Ru2—Cl3 97.2 (3)
C43—C38—P2—C50 −61.4 (5) C57—C32—Ru2—Cl3 −16.6 (6)
C39—C38—P2—Ru2 −115.0 (5) C37—C36—Ru2—C34 103.0 (4)
C43—C38—P2—Ru2 61.8 (5) C35—C36—Ru2—C34 −30.6 (3)
C49—C44—P2—C38 −105.7 (6) C37—C36—Ru2—C35 133.6 (6)
C45—C44—P2—C38 73.8 (6) C37—C36—Ru2—C33 64.9 (4)
C49—C44—P2—C50 145.9 (6) C35—C36—Ru2—C33 −68.7 (4)
C45—C44—P2—C50 −34.6 (6) C37—C36—Ru2—C32 28.2 (4)
C49—C44—P2—Ru2 23.7 (7) C35—C36—Ru2—C32 −105.4 (4)
C45—C44—P2—Ru2 −156.8 (4) C35—C36—Ru2—C37 −133.6 (6)
C55—C50—P2—C38 −177.2 (5) C37—C36—Ru2—P2 151.2 (3)
C51—C50—P2—C38 −5.1 (6) C35—C36—Ru2—P2 17.6 (6)
C55—C50—P2—C44 −71.5 (5) C37—C36—Ru2—Cl4 −131.0 (4)
C51—C50—P2—C44 100.5 (6) C35—C36—Ru2—Cl4 95.4 (3)
C55—C50—P2—Ru2 57.5 (5) C37—C36—Ru2—Cl3 −43.8 (4)
C51—C50—P2—Ru2 −130.5 (5) C35—C36—Ru2—Cl3 −177.4 (3)
C4—C3—Ru1—C2 133.0 (5) C36—C37—Ru2—C34 −65.9 (4)
C2—C3—Ru1—C4 −133.0 (5) C32—C37—Ru2—C34 68.3 (4)
C2—C3—Ru1—C5 −102.3 (4) C36—C37—Ru2—C35 −28.7 (4)
C4—C3—Ru1—C5 30.7 (4) C32—C37—Ru2—C35 105.5 (4)
C2—C3—Ru1—C1 −28.6 (3) C36—C37—Ru2—C33 −103.8 (4)
C4—C3—Ru1—C1 104.4 (4) C32—C37—Ru2—C33 30.4 (4)
C2—C3—Ru1—C6 −66.0 (4) C36—C37—Ru2—C32 −134.2 (6)
C4—C3—Ru1—C6 67.0 (4) C32—C37—Ru2—C36 134.2 (6)
C2—C3—Ru1—P1 99.5 (3) C36—C37—Ru2—P2 −125.9 (6)
C4—C3—Ru1—P1 −127.6 (3) C32—C37—Ru2—P2 8.3 (8)
C2—C3—Ru1—Cl2 −173.2 (3) C36—C37—Ru2—Cl4 53.8 (4)
C4—C3—Ru1—Cl2 −40.2 (4) C32—C37—Ru2—Cl4 −172.0 (3)
C2—C3—Ru1—Cl1 9.4 (6) C36—C37—Ru2—Cl3 143.3 (4)
C4—C3—Ru1—Cl1 142.4 (3) C32—C37—Ru2—Cl3 −82.5 (3)
C1—C2—Ru1—C3 −133.0 (5) C38—P2—Ru2—C34 −80.6 (3)
C3—C2—Ru1—C4 28.7 (4) C44—P2—Ru2—C34 155.7 (3)
C1—C2—Ru1—C4 −104.3 (4) C50—P2—Ru2—C34 39.5 (3)
C3—C2—Ru1—C5 66.4 (4) C38—P2—Ru2—C35 −112.2 (3)
C1—C2—Ru1—C5 −66.7 (4) C44—P2—Ru2—C35 124.1 (3)
C3—C2—Ru1—C1 133.0 (5) C50—P2—Ru2—C35 7.9 (3)
C3—C2—Ru1—C6 102.4 (4) C38—P2—Ru2—C33 −42.7 (3)
C1—C2—Ru1—C6 −30.6 (4) C44—P2—Ru2—C33 −166.4 (3)
C3—C2—Ru1—P1 −83.9 (3) C50—P2—Ru2—C33 77.4 (3)
C1—C2—Ru1—P1 143.1 (3) C38—P2—Ru2—C32 −16.1 (3)
C3—C2—Ru1—Cl2 16.1 (7) C44—P2—Ru2—C32 −139.9 (3)
C1—C2—Ru1—Cl2 −116.9 (5) C50—P2—Ru2—C32 104.0 (3)
C3—C2—Ru1—Cl1 −174.8 (3) C38—P2—Ru2—C36 −123.8 (4)
C1—C2—Ru1—Cl1 52.1 (4) C44—P2—Ru2—C36 112.4 (4)
C5—C4—Ru1—C3 129.8 (5) C50—P2—Ru2—C36 −3.7 (4)
C25—C4—Ru1—C3 −116.1 (8) C38—P2—Ru2—C37 −22.3 (6)
C3—C4—Ru1—C2 −28.6 (3) C44—P2—Ru2—C37 −146.1 (6)
C5—C4—Ru1—C2 101.2 (4) C50—P2—Ru2—C37 97.8 (6)
C25—C4—Ru1—C2 −144.8 (8) C38—P2—Ru2—Cl4 158.0 (2)
C3—C4—Ru1—C5 −129.8 (5) C44—P2—Ru2—Cl4 34.2 (2)
C25—C4—Ru1—C5 114.0 (8) C50—P2—Ru2—Cl4 −81.9 (2)
C3—C4—Ru1—C1 −65.1 (4) C38—P2—Ru2—Cl3 69.1 (2)
C5—C4—Ru1—C1 64.8 (4) C44—P2—Ru2—Cl3 −54.7 (2)
C25—C4—Ru1—C1 178.8 (7) C50—P2—Ru2—Cl3 −170.8 (2)
C3—C4—Ru1—C6 −101.6 (4) C9—C10—O1—C29 −4.5 (11)
C5—C4—Ru1—C6 28.2 (4) C11—C10—O1—C29 174.9 (7)
C25—C4—Ru1—C6 142.3 (8) C15—C16—O2—C30 175.7 (6)
C3—C4—Ru1—P1 59.9 (4) C17—C16—O2—C30 −5.1 (10)
C5—C4—Ru1—P1 −170.3 (3) C21—C22—O3—C31 1.0 (10)
C25—C4—Ru1—P1 −56.3 (7) C23—C22—O3—C31 −178.3 (6)
C3—C4—Ru1—Cl2 146.8 (3) C42—C41—O4—C60 174.0 (7)
C5—C4—Ru1—Cl2 −83.3 (3) C40—C41—O4—C60 −4.9 (11)
C25—C4—Ru1—Cl2 30.7 (7) C46—C47—O5—C61 3.3 (10)
C3—C4—Ru1—Cl1 −122.8 (5) C48—C47—O5—C61 −177.1 (6)
C5—C4—Ru1—Cl1 7.1 (7) C52—C53—O6—C62 174.5 (6)
C25—C4—Ru1—Cl1 121.1 (6) C54—C53—O6—C62 −6.3 (10)

Hydrogen-bond geometry (Å, º)

Cg1 is the centroid of the C1–C6 ring.

D—H···A D—H H···A D···A D—H···A
C5—H5···Cl2i 0.95 2.62 3.566 (7) 171
C36—H36···Cl4ii 0.95 2.6 3.506 (7) 159
C43—H43···Cl1iii 0.95 2.78 3.619 (7) 147
C62—H62B···O5iii 0.98 2.58 3.362 (9) 136
C18—H18···Cl2 0.95 2.8 3.643 (7) 149
C24—H24···Cl1 0.95 2.62 3.427 (6) 143
C49—H49···Cl3 0.95 2.61 3.416 (6) 143
C55—H55···Cl4 0.95 2.71 3.562 (6) 149
C20—H20···Cg1 0.95 2.95 3.614 (7) 128

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

References

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Associated Data

This section collects any data citations, data availability statements, or supplementary materials included in this article.

Supplementary Materials

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S2414314621012591/tk4072sup1.cif

x-06-x211259-sup1.cif (71KB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S2414314621012591/tk4072Isup2.hkl

x-06-x211259-Isup2.hkl (710.7KB, hkl)

CCDC reference: 2124507

Additional supporting information: crystallographic information; 3D view; checkCIF report


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