[(R,R)-1-(N-Benzyl­idene­amino)-2-(di­phenyl­phosphino)­cyclo­hexane-κ2N,P]­di­chloro­(tri­phenyl­phosphine-κP)­ruthenium(II)

Caiazzo, A.; Lough, A.J.; Yudin, A.K.

doi:10.1107/S1600536803011772

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[(R,R)-1-(N-Benzylideneamino)-2-(diphenylphosphino)cyclohexane-κ²N,P]dichloro(triphenylphosphine-κP)ruthenium(II)

A. Caiazzo, A. J. Lough and A. K. Yudin

The title compound, [RuCl₂(C₁₈H₁₅P)(C₂₅H₂₆NP)], crystallizes with two molecules in the asymmetric unit. The coordination geometry is a distorted square pyramid, with the P atom of the —PPh₂ moiety at the apical position. This is the first reported structure determination of a compound containing the (R,R)-1-(N-benzylideneamino)-2-(diphenylphosphino)cyclohexane ligand.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803011772/na6240sup1.cif Contains datablocks global, 4
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536803011772/na62404sup2.hkl Contains datablock 4

CCDC reference: 217350

checkCIF report

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.011 Å
R factor = 0.051
wR factor = 0.118
Data-to-parameter ratio = 13.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03
         From the CIF: _diffrn_reflns_theta_max           25.10
         From the CIF: _reflns_number_total              12013
         Count of symmetry unique reflns         6751
         Completeness (_total/calc)            177.94%
         TEST3: Check Friedels for noncentro structure
         Estimate of Friedel pairs measured      5262
         Fraction of Friedel pairs measured     0.779
         Are heavy atom types Z>Si present          yes
          Please check that the estimate of the number of Friedel pairs is
          correct. If it is not, please give the correct count in the
          _publ_section_exptl_refinement section of the submitted CIF.

Comment top

Iminophosphine ligands are characterized by interesting mixed properties derived from the simultaneous presence of the hard nitrogen and the soft phosphorous sites (Drent et al., 1993; Dekker et al., 1992). They have recently been used in a variety of catalytic processes, involving both Pd^II (Van den Beuken et al., 1998; Scrivanti et al., 2001) and Ru^II (Crochet et al., 2003; 2001). In particular, Ru complexes containing different N-(2'-diphenylphosphinobenzylidene)alkylamine ligands have been synthesized and employed in the transfer hydrogenation of acetophenone in 2-propanol (Crochet et al., 2003, 2001). We have recently prepared, starting from readily available 7-azabicyclo[4.1.0]heptane, (1), a new optically active P—N ligand,(R,R)-1-amino-2-diphenylphosphinocyclohexane, (2) (Caiazzo et al., 2002). The iminophosphine (R,R)-1-(N-benzylideneamino)-2- (diphenylphosphino)cyclohexane, (3), can be easily obtained from the reaction between the above P—N cyclohexane ligand and benzaldehyde in ethanol (see Scheme). Here we report the synthesis and the X-ray analysis of (4), the first reported complex containing the ligand (3).

The reaction between (3) and an equimolar amount of RuCl₂(PPh₃)₃ in tetrahydrofuran at room temperature affords the compound (4) in good yield. In the crystal structure of (4), there are two molecules in the asymmetric unit, A and B (Figs. 1 and 2). Analogously to the precursor RuCl₂(PPh₃)₃ (La Placa & Ibers, 1965) and to similar structures (Crochet et al., 2001), the coordination geometry of compound (4) can be described as a distorted square pyramid, with the P atom (P1) of the –PPh₂ moiety at the apical position. The base of the pyramid is formed by the two Cl atoms, trans to each other (with the Cl1—Ru1—Cl2 angle of 164.70 (7) and 163.65 (6)° (for molecule A and B, respectively), and the N atom of the imino group in a trans position to the P atom of the PPh₃ moiety [N1—Ru—P2 = 173.58 (16) and 174.55 (16)°]. The Ru atom is displaced by 0.264 (1) and 0.280 (1) Å in molecules A and B, respectively, towards atom P1 from the weighted least-squares plane formed by N1/P2/Cl1/Cl2. Unlike the similar previously reported structures, where the N atom and the P atom in the ligand are bound to an aromatic ring, the metallacycle formed by the ligand (3) is not planar, due to the geometry of the cyclohexane ring. In the metallacycle, an analysis (Cremer & Pople, 1975) of the puckering of the five-membered ring (Ru1/N1/C6/C1/P1) gives Q_t of 0.484 (6) and 0.479 (6) Å for molecules A and B, respectively. In molecule A, the conformation of that ring is `envelop', with a local pseudo-mirror running along C1A and the mid-point of the N1A—Ru1A bond, while in molecule B the conformation is `half-chair', with a local pseudo-twofold axis running along Ru1B and the mid-point of the C1B—C6B bond (Duax et al., 1976). The bond lengths in each of the independent molecules are the same within experimental error, and are in turn, similar to those in the previously reported structure RuCl₂(κ²2-P,N-2-Ph₂PC₆H₄C═NtBu)(PPh₃) (Crochet at al., 2001); selected values are reported in Table 1.

Experimental top

To a solution of RuCl₂(PPh₃)₃ (259 mg, 0.27 mmol) in 30 ml of dry and deoxygenated tetrahydrofuran, (R,R)-2-Ph₂PC₆H₁₀N═CHPh, (3) (100 mg, 0.27 mmol), was added and the resulting mixture allowed to stir at room temperature for 24 h. The solvent was evacuated and the dark-green residue washed 4 times with a mixture of hexanes/diethyl ether (1:1) and dried under vacuum. The compound (4) was obtained as a dark-green solid (163 mg, 75%). Suitable crystals for X-ray analysis were obtained from slow diffusion of hexanes into a concentrated toluene solution of (4).¹H NMR (300 MHz, CDCl₃): 9.14 (d, J = 9.3 Hz, 1H), 8.07 (t, J = 9.2 Hz, 2H), 7.54 (t, J = 6.6 Hz, 1H), 7.39–6.98 (m, 28H), 4.15 (m, 1H), 3.22 (m, 1H), 2.94 (m, 1H), 1.96 (m, 3H), 1.64 (m, 1H), 1.26 (m, 2H), 0.60 (m, 1H).

Computing details top

Data collection: COLLECT (Nonius, 1997-2002); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Figures top

	Fig. 1. View of molecule A of (4), with the crystallographic labeling scheme. Displacement ellipsoids are drawn at the 30% probability level.
	Fig. 2. View of molecule B of (4), with the crystallographic labeling scheme. Displacement ellipsoids are at the 30% probability level.

Dichloro [K²—P,N-(R,R)-(N-benzylidene)-1-amino-2- diphenylphosphinocyclohexane]triphenylphosphine ruthenium(II) top

Crystal data top

[RuCl₂(C₁₈H₁₅P)(C₂₅H₂₆NP)]	F(000) = 1656
M_r = 805.68	D_x = 1.466 Mg m⁻³
Monoclinic, P2₁	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2yb	Cell parameters from 55426 reflections
a = 14.6010 (5) Å	θ = 2.6–25.0°
b = 16.9630 (7) Å	µ = 0.70 mm⁻¹
c = 14.7430 (7) Å	T = 150 K
β = 90.8570 (14)°	Plate, dark green
V = 3651.1 (3) Å³	0.12 × 0.10 × 0.04 mm
Z = 4

Data collection top

Nonius KappaCCD diffractometer	12013 independent reflections
Radiation source: fine-focus sealed tube	9236 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.082
Detector resolution: 9 pixels mm^-1	θ_max = 25.1°, θ_min = 2.8°
ϕ scans and ω scans with κ offsets	h = −17→17
Absorption correction: multi-scan (SORTAV; Blessing, 1995)	k = −17→20
T_min = 0.893, T_max = 0.974	l = −15→17
21972 measured reflections

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.051	H-atom parameters constrained
wR(F²) = 0.118	w = 1/[σ²(F_o²)]
S = 0.98	(Δ/σ)_max = 0.002
12013 reflections	Δρ_max = 0.87 e Å⁻³
883 parameters	Δρ_min = −0.67 e Å⁻³
1 restraint	Absolute structure: (Flack, 1983), 5320 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.02 (3)

Crystal data top

[RuCl₂(C₁₈H₁₅P)(C₂₅H₂₆NP)]	V = 3651.1 (3) Å³
M_r = 805.68	Z = 4
Monoclinic, P2₁	Mo Kα radiation
a = 14.6010 (5) Å	µ = 0.70 mm⁻¹
b = 16.9630 (7) Å	T = 150 K
c = 14.7430 (7) Å	0.12 × 0.10 × 0.04 mm
β = 90.8570 (14)°

Data collection top

Nonius KappaCCD diffractometer	12013 independent reflections
Absorption correction: multi-scan (SORTAV; Blessing, 1995)	9236 reflections with I > 2σ(I)
T_min = 0.893, T_max = 0.974	R_int = 0.082
21972 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.051	H-atom parameters constrained
wR(F²) = 0.118	Δρ_max = 0.87 e Å⁻³
S = 0.98	Δρ_min = −0.67 e Å⁻³
12013 reflections	Absolute structure: (Flack, 1983), 5320 Friedel pairs
883 parameters	Absolute structure parameter: 0.02 (3)
1 restraint

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

	x	y	z	U_iso*/U_eq
Ru1A	0.88808 (4)	0.36820 (3)	0.74510 (4)	0.02531 (14)
Cl1A	0.84175 (12)	0.24904 (10)	0.67209 (12)	0.0323 (4)
Cl2A	0.94269 (12)	0.49866 (10)	0.77786 (13)	0.0331 (4)
P1A	0.80559 (11)	0.37129 (11)	0.86909 (11)	0.0257 (4)
P2A	1.02046 (11)	0.30674 (11)	0.80163 (12)	0.0274 (4)
N1A	0.7701 (4)	0.4159 (3)	0.6808 (4)	0.0292 (14)
C1A	0.7149 (5)	0.4419 (4)	0.8329 (5)	0.0258 (16)
H1AA	0.7439	0.4953	0.8311	0.031*
C2A	0.6326 (5)	0.4481 (5)	0.8960 (5)	0.0329 (18)
H2AA	0.6043	0.3955	0.9027	0.039*
H2AB	0.6539	0.4658	0.9567	0.039*
C3A	0.5615 (5)	0.5058 (5)	0.8591 (6)	0.039 (2)
H3AA	0.5080	0.5067	0.8996	0.047*
H3AB	0.5879	0.5595	0.8575	0.047*
C4A	0.5310 (5)	0.4821 (5)	0.7652 (5)	0.0331 (18)
H4AA	0.4859	0.5209	0.7416	0.040*
H4AB	0.5006	0.4300	0.7676	0.040*
C5A	0.6127 (5)	0.4777 (5)	0.7003 (5)	0.0339 (18)
H5AA	0.5908	0.4598	0.6398	0.041*
H5AB	0.6394	0.5310	0.6932	0.041*
C6A	0.6859 (5)	0.4216 (4)	0.7355 (5)	0.0307 (17)
H6AA	0.6579	0.3678	0.7369	0.037*
C7A	0.7639 (5)	0.4291 (4)	0.5949 (5)	0.0305 (17)
H7AA	0.7050	0.4420	0.5712	0.037*
C8A	0.8388 (5)	0.4261 (4)	0.5303 (5)	0.0279 (16)
C9A	0.8165 (5)	0.4169 (4)	0.4385 (5)	0.0335 (18)
H9AA	0.7541	0.4105	0.4207	0.040*
C10A	0.8819 (5)	0.4171 (5)	0.3739 (5)	0.0371 (19)
H10A	0.8648	0.4119	0.3118	0.045*
C11A	0.9718 (6)	0.4246 (5)	0.3981 (6)	0.045 (2)
H11A	1.0173	0.4235	0.3527	0.055*
C12A	0.9973 (6)	0.4338 (7)	0.4875 (6)	0.060 (3)
H12A	1.0600	0.4405	0.5039	0.072*
C13A	0.9310 (5)	0.4332 (5)	0.5535 (6)	0.042 (2)
H13A	0.9487	0.4378	0.6156	0.050*
C21A	0.7392 (5)	0.2874 (4)	0.9130 (5)	0.0263 (17)
C22A	0.7207 (5)	0.2220 (4)	0.8588 (5)	0.0320 (17)
H22A	0.7437	0.2197	0.7989	0.038*
C23A	0.6685 (5)	0.1600 (4)	0.8920 (6)	0.0352 (19)
H23A	0.6568	0.1152	0.8549	0.042*
C24A	0.6336 (5)	0.1633 (5)	0.9786 (6)	0.0376 (19)
H24A	0.5988	0.1205	1.0011	0.045*
C25A	0.6491 (5)	0.2277 (5)	1.0319 (6)	0.0384 (19)
H25A	0.6234	0.2303	1.0907	0.046*
C26A	0.7023 (5)	0.2898 (4)	1.0006 (5)	0.0355 (18)
H26A	0.7137	0.3341	1.0385	0.043*
C31A	0.8579 (5)	0.4113 (4)	0.9741 (5)	0.0302 (18)
C32A	0.8936 (4)	0.3602 (5)	1.0397 (4)	0.0299 (16)
H32A	0.8884	0.3048	1.0322	0.036*
C33A	0.9372 (5)	0.3914 (5)	1.1166 (5)	0.0356 (19)
H33A	0.9628	0.3567	1.1607	0.043*
C34A	0.9437 (5)	0.4711 (5)	1.1294 (5)	0.0348 (18)
H34A	0.9728	0.4915	1.1825	0.042*
C35A	0.9083 (5)	0.5212 (5)	1.0655 (6)	0.0372 (19)
H35A	0.9130	0.5765	1.0753	0.045*
C36A	0.8655 (5)	0.4939 (4)	0.9867 (5)	0.0306 (17)
H36A	0.8420	0.5296	0.9425	0.037*
C41A	1.0083 (5)	0.2442 (4)	0.9012 (5)	0.0262 (16)
C42A	0.9334 (5)	0.1916 (4)	0.9009 (5)	0.0343 (18)
H42A	0.8959	0.1871	0.8480	0.041*
C43A	0.9137 (5)	0.1468 (4)	0.9759 (5)	0.0345 (19)
H43A	0.8612	0.1137	0.9751	0.041*
C44A	0.9695 (5)	0.1495 (4)	1.0520 (6)	0.039 (2)
H44A	0.9559	0.1179	1.1033	0.047*
C45A	1.0462 (5)	0.1989 (5)	1.0535 (5)	0.0360 (18)
H45A	1.0849	0.2010	1.1059	0.043*
C46A	1.0659 (5)	0.2447 (4)	0.9788 (5)	0.0335 (17)
H46A	1.1190	0.2770	0.9797	0.040*
C51A	1.1204 (4)	0.3667 (5)	0.8343 (4)	0.0310 (15)
C52A	1.1130 (5)	0.4203 (4)	0.9044 (5)	0.0365 (19)
H52A	1.0562	0.4269	0.9341	0.044*
C53A	1.1890 (6)	0.4648 (5)	0.9316 (7)	0.053 (2)
H53A	1.1848	0.5014	0.9801	0.063*
C54A	1.2706 (6)	0.4545 (6)	0.8867 (7)	0.057 (3)
H54A	1.3228	0.4842	0.9051	0.068*
C55A	1.2773 (6)	0.4024 (6)	0.8164 (7)	0.057 (3)
H55A	1.3334	0.3971	0.7852	0.068*
C56A	1.2040 (5)	0.3584 (5)	0.7915 (5)	0.0368 (18)
H56A	1.2097	0.3212	0.7439	0.044*
C61A	1.0689 (5)	0.2374 (4)	0.7187 (5)	0.0288 (17)
C62A	1.0581 (5)	0.2494 (5)	0.6270 (5)	0.0362 (18)
H62A	1.0254	0.2946	0.6067	0.043*
C63A	1.0924 (5)	0.1990 (5)	0.5638 (5)	0.0389 (19)
H63A	1.0845	0.2100	0.5010	0.047*
C64A	1.1387 (6)	0.1316 (5)	0.5917 (6)	0.045 (2)
H64A	1.1609	0.0952	0.5483	0.054*
C65A	1.1522 (6)	0.1181 (5)	0.6841 (6)	0.045 (2)
H65A	1.1847	0.0726	0.7039	0.054*
C66A	1.1188 (5)	0.1703 (4)	0.7468 (5)	0.0335 (19)
H66A	1.1294	0.1611	0.8096	0.040*
Ru1B	0.50787 (4)	0.31472 (3)	0.36674 (4)	0.02564 (14)
Cl1B	0.57891 (12)	0.43711 (10)	0.40889 (13)	0.0333 (4)
Cl2B	0.48106 (12)	0.18309 (10)	0.31518 (13)	0.0337 (4)
P1B	0.38290 (11)	0.30992 (12)	0.44842 (12)	0.0265 (4)
P2B	0.44842 (11)	0.37391 (11)	0.23612 (11)	0.0261 (4)
N1B	0.5742 (4)	0.2654 (3)	0.4823 (4)	0.0260 (13)
C1B	0.4217 (4)	0.2437 (4)	0.5403 (5)	0.0257 (16)
H1BA	0.4233	0.1891	0.5147	0.031*
C2B	0.3598 (5)	0.2414 (5)	0.6239 (5)	0.040 (2)
H2BA	0.3546	0.2953	0.6490	0.048*
H2BB	0.2977	0.2241	0.6048	0.048*
C3B	0.3956 (5)	0.1866 (5)	0.6975 (5)	0.040 (2)
H3BA	0.3977	0.1318	0.6745	0.048*
H3BB	0.3547	0.1881	0.7504	0.048*
C4B	0.4920 (5)	0.2140 (5)	0.7254 (5)	0.045 (2)
H4BA	0.5169	0.1785	0.7730	0.054*
H4BB	0.4887	0.2678	0.7510	0.054*
C5B	0.5565 (5)	0.2139 (5)	0.6433 (5)	0.0345 (18)
H5BA	0.6176	0.2336	0.6627	0.041*
H5BB	0.5639	0.1593	0.6210	0.041*
C6B	0.5192 (5)	0.2653 (4)	0.5673 (5)	0.0262 (16)
H6BA	0.5181	0.3207	0.5904	0.031*
C7B	0.6574 (5)	0.2390 (4)	0.4865 (5)	0.0312 (17)
H7BA	0.6783	0.2213	0.5444	0.037*
C8B	0.7234 (5)	0.2332 (4)	0.4126 (5)	0.0288 (17)
C9B	0.8134 (5)	0.2122 (5)	0.4366 (5)	0.039 (2)
H9BA	0.8288	0.2036	0.4986	0.047*
C10B	0.8791 (5)	0.2038 (5)	0.3729 (6)	0.044 (2)
H10B	0.9395	0.1891	0.3908	0.053*
C11B	0.8587 (5)	0.2164 (5)	0.2828 (6)	0.044 (2)
H11B	0.9049	0.2107	0.2386	0.052*
C12B	0.7699 (5)	0.2376 (5)	0.2565 (6)	0.041 (2)
H12B	0.7553	0.2469	0.1945	0.050*
C13B	0.7041 (5)	0.2447 (4)	0.3211 (5)	0.0329 (18)
H13B	0.6434	0.2579	0.3028	0.039*
C21B	0.3364 (4)	0.3943 (4)	0.5099 (5)	0.0256 (17)
C22B	0.3932 (5)	0.4593 (4)	0.5324 (5)	0.0287 (16)
H22B	0.4542	0.4609	0.5110	0.034*
C23B	0.3612 (5)	0.5206 (5)	0.5852 (5)	0.039 (2)
H23B	0.4003	0.5639	0.5988	0.047*
C24B	0.2739 (6)	0.5197 (5)	0.6180 (5)	0.041 (2)
H24B	0.2530	0.5617	0.6549	0.049*
C25B	0.2157 (5)	0.4565 (5)	0.5969 (5)	0.0380 (19)
H25B	0.1548	0.4558	0.6187	0.046*
C26B	0.2476 (5)	0.3941 (4)	0.5435 (5)	0.0341 (18)
H26B	0.2081	0.3510	0.5300	0.041*
C31B	0.2814 (5)	0.2646 (4)	0.3966 (5)	0.0272 (16)
C32B	0.2128 (4)	0.3104 (5)	0.3550 (4)	0.0275 (15)
H32B	0.2159	0.3662	0.3587	0.033*
C33B	0.1409 (5)	0.2755 (5)	0.3090 (5)	0.0346 (18)
H33B	0.0958	0.3076	0.2802	0.041*
C34B	0.1333 (5)	0.1944 (4)	0.3040 (5)	0.0348 (18)
H34B	0.0833	0.1714	0.2718	0.042*
C35B	0.1992 (5)	0.1458 (4)	0.3463 (5)	0.0339 (18)
H35B	0.1947	0.0900	0.3434	0.041*
C36B	0.2709 (5)	0.1822 (4)	0.3923 (5)	0.0283 (16)
H36B	0.3150	0.1501	0.4225	0.034*
C41B	0.3489 (5)	0.4409 (4)	0.2445 (5)	0.0276 (16)
C42B	0.3488 (5)	0.4952 (4)	0.3161 (5)	0.0303 (17)
H42B	0.4006	0.4988	0.3556	0.036*
C43B	0.2753 (5)	0.5428 (4)	0.3298 (6)	0.0359 (19)
H43B	0.2763	0.5796	0.3783	0.043*
C44B	0.1987 (5)	0.5380 (5)	0.2730 (6)	0.039 (2)
H44B	0.1470	0.5707	0.2833	0.047*
C45B	0.1980 (5)	0.4849 (4)	0.2011 (5)	0.0346 (18)
H45B	0.1461	0.4817	0.1617	0.041*
C46B	0.2728 (5)	0.4370 (4)	0.1871 (5)	0.0324 (17)
H46B	0.2723	0.4010	0.1377	0.039*
C51B	0.4119 (4)	0.3127 (5)	0.1392 (4)	0.0295 (15)
C52B	0.3470 (5)	0.2548 (5)	0.1522 (5)	0.0357 (18)
H52B	0.3285	0.2424	0.2120	0.043*
C53B	0.3081 (6)	0.2142 (5)	0.0790 (6)	0.044 (2)
H53B	0.2640	0.1741	0.0888	0.053*
C54B	0.3344 (6)	0.2329 (5)	−0.0076 (6)	0.047 (2)
H54B	0.3063	0.2072	−0.0580	0.056*
C55B	0.4014 (6)	0.2890 (5)	−0.0217 (6)	0.048 (2)
H55B	0.4204	0.3011	−0.0815	0.057*
C56B	0.4407 (5)	0.3276 (5)	0.0526 (5)	0.040 (2)
H56B	0.4883	0.3648	0.0432	0.047*
C61B	0.5348 (5)	0.4391 (4)	0.1864 (5)	0.0303 (17)
C62B	0.6270 (5)	0.4200 (4)	0.1943 (5)	0.0346 (18)
H62B	0.6445	0.3722	0.2231	0.042*
C63B	0.6933 (5)	0.4692 (5)	0.1609 (5)	0.0349 (18)
H63B	0.7561	0.4554	0.1676	0.042*
C64B	0.6691 (5)	0.5388 (4)	0.1176 (5)	0.0355 (18)
H64B	0.7151	0.5726	0.0947	0.043*
C65B	0.5773 (5)	0.5588 (5)	0.1079 (5)	0.0364 (19)
H65B	0.5599	0.6059	0.0771	0.044*
C66B	0.5118 (5)	0.5097 (4)	0.1433 (5)	0.0335 (19)
H66B	0.4492	0.5244	0.1382	0.040*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ru1A	0.0254 (3)	0.0254 (3)	0.0250 (3)	0.0002 (2)	−0.0032 (2)	0.0013 (3)
Cl1A	0.0351 (10)	0.0314 (10)	0.0301 (10)	−0.0031 (8)	−0.0043 (8)	−0.0030 (8)
Cl2A	0.0354 (11)	0.0285 (10)	0.0352 (11)	−0.0030 (7)	−0.0046 (9)	0.0017 (8)
P1A	0.0259 (9)	0.0220 (9)	0.0291 (9)	0.0006 (8)	−0.0039 (7)	0.0022 (9)
P2A	0.0257 (9)	0.0285 (10)	0.0278 (10)	0.0025 (8)	−0.0032 (8)	0.0017 (9)
N1A	0.036 (4)	0.030 (3)	0.022 (3)	−0.005 (3)	−0.002 (3)	−0.004 (3)
C1A	0.025 (4)	0.020 (4)	0.032 (4)	0.002 (3)	0.000 (3)	−0.003 (3)
C2A	0.030 (4)	0.040 (5)	0.028 (4)	0.010 (3)	0.002 (3)	0.003 (3)
C3A	0.033 (4)	0.035 (5)	0.049 (5)	0.003 (3)	−0.004 (4)	0.004 (4)
C4A	0.030 (4)	0.036 (4)	0.034 (5)	0.001 (3)	−0.003 (4)	0.001 (3)
C5A	0.025 (4)	0.042 (5)	0.035 (5)	0.001 (3)	−0.005 (3)	−0.002 (4)
C6A	0.026 (4)	0.030 (4)	0.036 (5)	0.001 (3)	−0.002 (3)	0.004 (3)
C7A	0.037 (4)	0.019 (4)	0.036 (5)	−0.001 (3)	−0.004 (4)	−0.001 (3)
C8A	0.034 (4)	0.019 (4)	0.030 (4)	−0.002 (3)	−0.005 (3)	0.002 (3)
C9A	0.030 (4)	0.034 (4)	0.036 (5)	−0.007 (3)	−0.004 (4)	0.007 (4)
C10A	0.040 (5)	0.042 (5)	0.030 (5)	0.004 (4)	−0.001 (4)	−0.006 (4)
C11A	0.039 (5)	0.068 (6)	0.030 (5)	0.008 (4)	0.011 (4)	0.007 (4)
C12A	0.032 (5)	0.098 (8)	0.049 (6)	0.003 (5)	−0.010 (5)	0.008 (5)
C13A	0.028 (4)	0.070 (6)	0.028 (4)	0.003 (4)	−0.010 (4)	0.000 (4)
C21A	0.026 (4)	0.024 (4)	0.028 (4)	0.002 (3)	−0.011 (3)	0.000 (3)
C22A	0.031 (4)	0.029 (4)	0.036 (5)	0.002 (3)	−0.004 (3)	−0.004 (3)
C23A	0.025 (4)	0.023 (4)	0.058 (6)	−0.002 (3)	−0.008 (4)	−0.003 (4)
C24A	0.033 (4)	0.037 (5)	0.043 (5)	−0.007 (3)	−0.001 (4)	0.012 (4)
C25A	0.028 (4)	0.047 (5)	0.040 (5)	−0.004 (3)	0.002 (4)	0.007 (4)
C26A	0.033 (4)	0.038 (5)	0.035 (4)	−0.004 (3)	−0.002 (4)	0.000 (3)
C31A	0.023 (4)	0.037 (4)	0.030 (4)	0.001 (3)	0.004 (3)	−0.008 (3)
C32A	0.035 (4)	0.028 (4)	0.026 (4)	0.004 (3)	−0.005 (3)	−0.007 (3)
C33A	0.028 (4)	0.052 (6)	0.027 (4)	0.009 (3)	−0.003 (3)	−0.004 (3)
C34A	0.028 (4)	0.051 (5)	0.024 (4)	−0.004 (4)	−0.006 (3)	−0.005 (4)
C35A	0.036 (4)	0.030 (4)	0.046 (5)	−0.006 (3)	0.005 (4)	−0.008 (4)
C36A	0.029 (4)	0.038 (5)	0.025 (4)	−0.009 (3)	−0.005 (3)	0.000 (3)
C41A	0.031 (4)	0.024 (4)	0.023 (4)	0.008 (3)	0.001 (3)	−0.002 (3)
C42A	0.033 (4)	0.028 (4)	0.041 (5)	0.008 (3)	−0.005 (4)	0.004 (3)
C43A	0.036 (5)	0.030 (4)	0.038 (5)	0.001 (3)	−0.005 (4)	0.013 (3)
C44A	0.048 (5)	0.029 (4)	0.041 (5)	0.011 (4)	0.005 (4)	0.008 (3)
C45A	0.040 (5)	0.041 (5)	0.028 (4)	0.012 (4)	0.001 (4)	0.001 (4)
C46A	0.038 (4)	0.030 (4)	0.032 (4)	0.003 (3)	−0.006 (4)	0.002 (3)
C51A	0.031 (4)	0.037 (4)	0.025 (4)	0.003 (4)	−0.003 (3)	0.001 (4)
C52A	0.032 (4)	0.035 (4)	0.042 (5)	0.003 (3)	−0.002 (4)	−0.011 (4)
C53A	0.039 (5)	0.040 (5)	0.078 (7)	0.011 (4)	−0.016 (5)	−0.020 (5)
C54A	0.034 (5)	0.050 (6)	0.085 (8)	−0.010 (4)	−0.010 (5)	−0.006 (5)
C55A	0.035 (5)	0.064 (6)	0.072 (7)	−0.008 (4)	0.013 (5)	−0.003 (5)
C56A	0.034 (4)	0.043 (5)	0.033 (4)	−0.010 (4)	−0.001 (3)	−0.001 (4)
C61A	0.029 (4)	0.025 (4)	0.033 (4)	−0.001 (3)	0.005 (3)	0.001 (3)
C62A	0.033 (4)	0.051 (5)	0.025 (4)	0.007 (4)	0.001 (3)	−0.001 (4)
C63A	0.036 (5)	0.047 (5)	0.033 (5)	0.003 (4)	0.002 (4)	−0.010 (4)
C64A	0.052 (5)	0.037 (5)	0.045 (5)	−0.009 (4)	0.012 (4)	−0.018 (4)
C65A	0.057 (6)	0.027 (4)	0.051 (6)	0.002 (4)	0.016 (4)	0.005 (4)
C66A	0.045 (5)	0.030 (4)	0.026 (4)	−0.002 (3)	0.004 (4)	0.001 (3)
Ru1B	0.0237 (3)	0.0249 (3)	0.0282 (3)	0.0005 (2)	−0.0031 (2)	0.0004 (3)
Cl1B	0.0286 (10)	0.0308 (10)	0.0404 (11)	−0.0061 (7)	−0.0039 (8)	−0.0030 (8)
Cl2B	0.0344 (10)	0.0256 (9)	0.0408 (11)	0.0015 (7)	−0.0057 (9)	−0.0023 (8)
P1B	0.0263 (9)	0.0239 (9)	0.0292 (9)	0.0003 (8)	−0.0033 (8)	−0.0001 (9)
P2B	0.0287 (9)	0.0227 (9)	0.0269 (9)	0.0030 (8)	−0.0015 (8)	0.0000 (9)
N1B	0.019 (3)	0.026 (3)	0.033 (4)	0.001 (2)	−0.001 (3)	−0.002 (3)
C1B	0.023 (4)	0.019 (4)	0.035 (4)	0.004 (3)	−0.003 (3)	0.003 (3)
C2B	0.030 (4)	0.052 (5)	0.038 (5)	0.002 (4)	−0.001 (4)	0.005 (4)
C3B	0.030 (4)	0.049 (5)	0.041 (5)	0.007 (4)	0.001 (4)	0.015 (4)
C4B	0.036 (5)	0.067 (6)	0.032 (5)	0.007 (4)	−0.005 (4)	0.016 (4)
C5B	0.029 (4)	0.044 (5)	0.031 (4)	0.003 (3)	−0.005 (3)	0.007 (3)
C6B	0.030 (4)	0.021 (4)	0.028 (4)	0.007 (3)	−0.005 (3)	0.002 (3)
C7B	0.035 (4)	0.033 (4)	0.025 (4)	0.006 (3)	−0.005 (3)	−0.003 (3)
C8B	0.032 (4)	0.030 (4)	0.025 (4)	0.008 (3)	−0.001 (3)	0.001 (3)
C9B	0.027 (4)	0.062 (6)	0.027 (5)	0.007 (4)	−0.002 (4)	−0.002 (4)
C10B	0.022 (4)	0.069 (6)	0.041 (5)	0.013 (4)	0.001 (4)	−0.009 (4)
C11B	0.031 (5)	0.060 (6)	0.040 (5)	−0.004 (4)	0.003 (4)	0.002 (4)
C12B	0.039 (5)	0.051 (5)	0.034 (5)	−0.007 (4)	0.001 (4)	0.005 (4)
C13B	0.030 (4)	0.030 (4)	0.038 (5)	0.005 (3)	−0.011 (4)	0.005 (3)
C21B	0.020 (4)	0.024 (4)	0.032 (4)	0.006 (3)	−0.005 (3)	0.000 (3)
C22B	0.024 (4)	0.038 (4)	0.024 (4)	−0.001 (3)	−0.008 (3)	0.002 (3)
C23B	0.041 (5)	0.034 (5)	0.042 (5)	−0.007 (4)	−0.012 (4)	0.000 (4)
C24B	0.048 (5)	0.040 (5)	0.035 (5)	0.010 (4)	−0.010 (4)	−0.006 (4)
C25B	0.034 (4)	0.041 (5)	0.039 (5)	0.004 (4)	−0.004 (4)	−0.001 (4)
C26B	0.027 (4)	0.031 (4)	0.044 (5)	−0.002 (3)	−0.003 (4)	0.002 (3)
C31B	0.020 (4)	0.025 (4)	0.036 (4)	0.000 (3)	−0.003 (3)	0.001 (3)
C32B	0.030 (4)	0.023 (4)	0.029 (4)	−0.004 (3)	−0.005 (3)	0.002 (3)
C33B	0.027 (4)	0.038 (4)	0.038 (5)	0.005 (3)	−0.006 (4)	0.004 (3)
C34B	0.029 (4)	0.040 (5)	0.035 (5)	−0.005 (3)	−0.006 (4)	−0.001 (4)
C35B	0.040 (5)	0.026 (4)	0.036 (5)	−0.004 (3)	−0.002 (4)	−0.006 (3)
C36B	0.026 (4)	0.027 (4)	0.032 (4)	0.003 (3)	0.004 (3)	0.002 (3)
C41B	0.022 (4)	0.028 (4)	0.032 (4)	0.004 (3)	−0.001 (3)	0.004 (3)
C42B	0.029 (4)	0.025 (4)	0.037 (4)	−0.005 (3)	−0.009 (3)	0.001 (3)
C43B	0.032 (4)	0.032 (4)	0.044 (5)	0.002 (3)	−0.002 (4)	−0.002 (4)
C44B	0.026 (4)	0.040 (5)	0.051 (5)	0.014 (3)	0.002 (4)	0.004 (4)
C45B	0.044 (5)	0.017 (4)	0.043 (5)	0.000 (3)	0.000 (4)	0.006 (3)
C46B	0.030 (4)	0.035 (4)	0.033 (4)	0.008 (3)	−0.001 (3)	−0.003 (3)
C51B	0.030 (4)	0.032 (4)	0.027 (4)	0.008 (4)	0.000 (3)	−0.001 (4)
C52B	0.030 (4)	0.038 (5)	0.039 (5)	0.005 (3)	−0.009 (4)	−0.006 (4)
C53B	0.043 (5)	0.035 (5)	0.055 (6)	0.005 (4)	−0.015 (4)	−0.009 (4)
C54B	0.058 (6)	0.036 (5)	0.046 (6)	0.008 (4)	−0.015 (5)	−0.013 (4)
C55B	0.062 (6)	0.050 (6)	0.031 (5)	0.006 (4)	−0.002 (4)	−0.006 (4)
C56B	0.039 (4)	0.044 (5)	0.036 (5)	0.009 (4)	0.002 (4)	−0.006 (4)
C61B	0.033 (4)	0.029 (4)	0.029 (4)	0.003 (3)	−0.001 (3)	0.005 (3)
C62B	0.034 (4)	0.030 (4)	0.040 (5)	0.008 (3)	0.000 (4)	0.005 (4)
C63B	0.028 (4)	0.047 (5)	0.029 (4)	0.002 (4)	0.002 (3)	−0.001 (4)
C64B	0.033 (4)	0.030 (4)	0.043 (5)	−0.004 (3)	0.011 (4)	−0.009 (4)
C65B	0.037 (5)	0.030 (4)	0.042 (5)	0.004 (3)	0.007 (4)	0.008 (4)
C66B	0.027 (4)	0.033 (5)	0.040 (5)	0.006 (3)	−0.006 (4)	0.003 (4)

Geometric parameters (Å, º) top

Ru1A—N1A	2.115 (6)	Ru1B—N1B	2.119 (6)
Ru1A—P1A	2.2046 (18)	Ru1B—P1B	2.2027 (18)
Ru1A—P2A	2.3386 (18)	Ru1B—P2B	2.3280 (18)
Ru1A—Cl1A	2.3833 (18)	Ru1B—Cl2B	2.3891 (18)
Ru1A—Cl2A	2.3991 (18)	Ru1B—Cl1B	2.3985 (18)
P1A—C31A	1.845 (8)	P1B—C31B	1.826 (7)
P1A—C21A	1.845 (7)	P1B—C21B	1.830 (7)
P1A—C1A	1.858 (7)	P1B—C1B	1.843 (7)
P2A—C41A	1.823 (7)	P2B—C51B	1.839 (7)
P2A—C51A	1.837 (7)	P2B—C61B	1.838 (7)
P2A—C61A	1.846 (7)	P2B—C41B	1.850 (7)
N1A—C7A	1.288 (9)	N1B—C7B	1.296 (8)
N1A—C6A	1.484 (9)	N1B—C6B	1.498 (9)
C1A—C6A	1.530 (10)	C1B—C6B	1.518 (9)
C1A—C2A	1.533 (9)	C1B—C2B	1.539 (10)
C1A—H1AA	1.0000	C1B—H1BA	1.0000
C2A—C3A	1.522 (10)	C2B—C3B	1.515 (10)
C2A—H2AA	0.9900	C2B—H2BA	0.9900
C2A—H2AB	0.9900	C2B—H2BB	0.9900
C3A—C4A	1.502 (11)	C3B—C4B	1.532 (11)
C3A—H3AA	0.9900	C3B—H3BA	0.9900
C3A—H3AB	0.9900	C3B—H3BB	0.9900
C4A—C5A	1.542 (10)	C4B—C5B	1.544 (10)
C4A—H4AA	0.9900	C4B—H4BA	0.9900
C4A—H4AB	0.9900	C4B—H4BB	0.9900
C5A—C6A	1.517 (10)	C5B—C6B	1.514 (9)
C5A—H5AA	0.9900	C5B—H5BA	0.9900
C5A—H5AB	0.9900	C5B—H5BB	0.9900
C6A—H6AA	1.0000	C6B—H6BA	1.0000
C7A—C8A	1.461 (10)	C7B—C8B	1.469 (10)
C7A—H7AA	0.9500	C7B—H7BA	0.9500
C8A—C13A	1.389 (10)	C8B—C13B	1.387 (10)
C8A—C9A	1.397 (10)	C8B—C9B	1.402 (10)
C9A—C10A	1.358 (10)	C9B—C10B	1.360 (10)
C9A—H9AA	0.9500	C9B—H9BA	0.9500
C10A—C11A	1.361 (11)	C10B—C11B	1.374 (11)
C10A—H10A	0.9500	C10B—H10B	0.9500
C11A—C12A	1.373 (12)	C11B—C12B	1.395 (11)
C11A—H11A	0.9500	C11B—H11B	0.9500
C12A—C13A	1.383 (12)	C12B—C13B	1.368 (10)
C12A—H12A	0.9500	C12B—H12B	0.9500
C13A—H13A	0.9500	C13B—H13B	0.9500
C21A—C22A	1.391 (10)	C21B—C26B	1.395 (9)
C21A—C26A	1.407 (10)	C21B—C22B	1.416 (9)
C22A—C23A	1.391 (10)	C22B—C23B	1.384 (11)
C22A—H22A	0.9500	C22B—H22B	0.9500
C23A—C24A	1.383 (11)	C23B—C24B	1.370 (11)
C23A—H23A	0.9500	C23B—H23B	0.9500
C24A—C25A	1.362 (11)	C24B—C25B	1.400 (11)
C24A—H24A	0.9500	C24B—H24B	0.9500
C25A—C26A	1.391 (10)	C25B—C26B	1.403 (10)
C25A—H25A	0.9500	C25B—H25B	0.9500
C26A—H26A	0.9500	C26B—H26B	0.9500
C31A—C32A	1.394 (10)	C31B—C32B	1.402 (9)
C31A—C36A	1.418 (10)	C31B—C36B	1.407 (10)
C32A—C33A	1.395 (9)	C32B—C33B	1.375 (10)
C32A—H32A	0.9500	C32B—H32B	0.9500
C33A—C34A	1.369 (11)	C33B—C34B	1.382 (10)
C33A—H33A	0.9500	C33B—H33B	0.9500
C34A—C35A	1.364 (11)	C34B—C35B	1.406 (10)
C34A—H34A	0.9500	C34B—H34B	0.9500
C35A—C36A	1.392 (10)	C35B—C36B	1.384 (10)
C35A—H35A	0.9500	C35B—H35B	0.9500
C36A—H36A	0.9500	C36B—H36B	0.9500
C41A—C46A	1.409 (10)	C41B—C46B	1.388 (10)
C41A—C42A	1.411 (10)	C41B—C42B	1.401 (10)
C42A—C43A	1.375 (10)	C42B—C43B	1.361 (10)
C42A—H42A	0.9500	C42B—H42B	0.9500
C43A—C44A	1.378 (11)	C43B—C44B	1.389 (10)
C43A—H43A	0.9500	C43B—H43B	0.9500
C44A—C45A	1.400 (11)	C44B—C45B	1.391 (11)
C44A—H44A	0.9500	C44B—H44B	0.9500
C45A—C46A	1.381 (10)	C45B—C46B	1.381 (10)
C45A—H45A	0.9500	C45B—H45B	0.9500
C46A—H46A	0.9500	C46B—H46B	0.9500
C51A—C52A	1.382 (10)	C51B—C56B	1.373 (10)
C51A—C56A	1.389 (10)	C51B—C52B	1.381 (10)
C52A—C53A	1.396 (11)	C52B—C53B	1.393 (11)
C52A—H52A	0.9500	C52B—H52B	0.9500
C53A—C54A	1.382 (12)	C53B—C54B	1.375 (12)
C53A—H53A	0.9500	C53B—H53B	0.9500
C54A—C55A	1.367 (13)	C54B—C55B	1.383 (12)
C54A—H54A	0.9500	C54B—H54B	0.9500
C55A—C56A	1.351 (11)	C55B—C56B	1.392 (11)
C55A—H55A	0.9500	C55B—H55B	0.9500
C56A—H56A	0.9500	C56B—H56B	0.9500
C61A—C62A	1.373 (10)	C61B—C62B	1.387 (10)
C61A—C66A	1.410 (10)	C61B—C66B	1.395 (10)
C62A—C63A	1.365 (10)	C62B—C63B	1.375 (10)
C62A—H62A	0.9500	C62B—H62B	0.9500
C63A—C64A	1.387 (12)	C63B—C64B	1.385 (11)
C63A—H63A	0.9500	C63B—H63B	0.9500
C64A—C65A	1.393 (11)	C64B—C65B	1.388 (10)
C64A—H64A	0.9500	C64B—H64B	0.9500
C65A—C66A	1.374 (11)	C65B—C66B	1.377 (10)
C65A—H65A	0.9500	C65B—H65B	0.9500
C66A—H66A	0.9500	C66B—H66B	0.9500

N1A—Ru1A—P1A	84.89 (16)	N1B—Ru1B—P1B	85.31 (15)
N1A—Ru1A—P2A	173.58 (16)	N1B—Ru1B—P2B	174.55 (16)
P1A—Ru1A—P2A	100.02 (7)	P1B—Ru1B—P2B	99.59 (6)
N1A—Ru1A—Cl1A	84.18 (15)	N1B—Ru1B—Cl2B	87.58 (16)
P1A—Ru1A—Cl1A	103.87 (7)	P1B—Ru1B—Cl2B	90.36 (7)
P2A—Ru1A—Cl1A	90.59 (7)	P2B—Ru1B—Cl2B	94.74 (7)
N1A—Ru1A—Cl2A	90.18 (16)	N1B—Ru1B—Cl1B	86.70 (16)
P1A—Ru1A—Cl2A	89.72 (7)	P1B—Ru1B—Cl1B	104.41 (7)
P2A—Ru1A—Cl2A	93.96 (7)	P2B—Ru1B—Cl1B	89.74 (7)
Cl1A—Ru1A—Cl2A	164.70 (7)	Cl2B—Ru1B—Cl1B	163.65 (6)
C31A—P1A—C21A	101.7 (3)	C31B—P1B—C21B	103.4 (3)
C31A—P1A—C1A	106.8 (3)	C31B—P1B—C1B	106.8 (3)
C21A—P1A—C1A	102.9 (3)	C21B—P1B—C1B	103.0 (3)
C31A—P1A—Ru1A	118.7 (2)	C31B—P1B—Ru1B	117.4 (2)
C21A—P1A—Ru1A	124.7 (2)	C21B—P1B—Ru1B	123.9 (2)
C1A—P1A—Ru1A	100.0 (2)	C1B—P1B—Ru1B	100.2 (2)
C41A—P2A—C51A	101.4 (3)	C51B—P2B—C61B	102.8 (3)
C41A—P2A—C61A	101.9 (3)	C51B—P2B—C41B	100.3 (3)
C51A—P2A—C61A	102.5 (3)	C61B—P2B—C41B	101.6 (3)
C41A—P2A—Ru1A	117.2 (2)	C51B—P2B—Ru1B	120.0 (2)
C51A—P2A—Ru1A	119.7 (3)	C61B—P2B—Ru1B	109.9 (2)
C61A—P2A—Ru1A	111.8 (2)	C41B—P2B—Ru1B	119.6 (2)
C7A—N1A—C6A	118.5 (6)	C7B—N1B—C6B	118.2 (6)
C7A—N1A—Ru1A	123.4 (5)	C7B—N1B—Ru1B	126.3 (5)
C6A—N1A—Ru1A	117.2 (4)	C6B—N1B—Ru1B	115.4 (4)
C6A—C1A—C2A	112.1 (6)	C6B—C1B—C2B	110.8 (6)
C6A—C1A—P1A	108.1 (5)	C6B—C1B—P1B	108.8 (4)
C2A—C1A—P1A	115.6 (5)	C2B—C1B—P1B	115.2 (5)
C6A—C1A—H1AA	106.9	C6B—C1B—H1BA	107.2
C2A—C1A—H1AA	106.9	C2B—C1B—H1BA	107.2
P1A—C1A—H1AA	106.9	P1B—C1B—H1BA	107.2
C3A—C2A—C1A	111.3 (6)	C3B—C2B—C1B	112.9 (6)
C3A—C2A—H2AA	109.4	C3B—C2B—H2BA	109.0
C1A—C2A—H2AA	109.4	C1B—C2B—H2BA	109.0
C3A—C2A—H2AB	109.4	C3B—C2B—H2BB	109.0
C1A—C2A—H2AB	109.4	C1B—C2B—H2BB	109.0
H2AA—C2A—H2AB	108.0	H2BA—C2B—H2BB	107.8
C4A—C3A—C2A	110.4 (6)	C2B—C3B—C4B	108.2 (6)
C4A—C3A—H3AA	109.6	C2B—C3B—H3BA	110.1
C2A—C3A—H3AA	109.6	C4B—C3B—H3BA	110.1
C4A—C3A—H3AB	109.6	C2B—C3B—H3BB	110.1
C2A—C3A—H3AB	109.6	C4B—C3B—H3BB	110.1
H3AA—C3A—H3AB	108.1	H3BA—C3B—H3BB	108.4
C3A—C4A—C5A	111.3 (6)	C3B—C4B—C5B	111.0 (7)
C3A—C4A—H4AA	109.4	C3B—C4B—H4BA	109.4
C5A—C4A—H4AA	109.4	C5B—C4B—H4BA	109.4
C3A—C4A—H4AB	109.4	C3B—C4B—H4BB	109.4
C5A—C4A—H4AB	109.4	C5B—C4B—H4BB	109.4
H4AA—C4A—H4AB	108.0	H4BA—C4B—H4BB	108.0
C6A—C5A—C4A	111.4 (6)	C6B—C5B—C4B	111.3 (6)
C6A—C5A—H5AA	109.3	C6B—C5B—H5BA	109.4
C4A—C5A—H5AA	109.3	C4B—C5B—H5BA	109.4
C6A—C5A—H5AB	109.3	C6B—C5B—H5BB	109.4
C4A—C5A—H5AB	109.3	C4B—C5B—H5BB	109.4
H5AA—C5A—H5AB	108.0	H5BA—C5B—H5BB	108.0
N1A—C6A—C5A	116.1 (6)	N1B—C6B—C5B	115.4 (5)
N1A—C6A—C1A	107.7 (5)	N1B—C6B—C1B	107.0 (5)
C5A—C6A—C1A	111.3 (6)	C5B—C6B—C1B	112.4 (6)
N1A—C6A—H6AA	107.1	N1B—C6B—H6BA	107.2
C5A—C6A—H6AA	107.1	C5B—C6B—H6BA	107.2
C1A—C6A—H6AA	107.1	C1B—C6B—H6BA	107.2
N1A—C7A—C8A	126.4 (7)	N1B—C7B—C8B	127.8 (7)
N1A—C7A—H7AA	116.8	N1B—C7B—H7BA	116.1
C8A—C7A—H7AA	116.8	C8B—C7B—H7BA	116.1
C13A—C8A—C9A	117.4 (7)	C13B—C8B—C9B	117.2 (7)
C13A—C8A—C7A	124.6 (7)	C13B—C8B—C7B	125.9 (6)
C9A—C8A—C7A	118.0 (6)	C9B—C8B—C7B	116.9 (6)
C10A—C9A—C8A	121.5 (7)	C10B—C9B—C8B	121.4 (7)
C10A—C9A—H9AA	119.3	C10B—C9B—H9BA	119.3
C8A—C9A—H9AA	119.3	C8B—C9B—H9BA	119.3
C9A—C10A—C11A	120.1 (7)	C9B—C10B—C11B	120.4 (8)
C9A—C10A—H10A	119.9	C9B—C10B—H10B	119.8
C11A—C10A—H10A	119.9	C11B—C10B—H10B	119.8
C10A—C11A—C12A	120.6 (8)	C10B—C11B—C12B	119.7 (8)
C10A—C11A—H11A	119.7	C10B—C11B—H11B	120.1
C12A—C11A—H11A	119.7	C12B—C11B—H11B	120.1
C11A—C12A—C13A	119.5 (8)	C13B—C12B—C11B	119.3 (7)
C11A—C12A—H12A	120.3	C13B—C12B—H12B	120.4
C13A—C12A—H12A	120.3	C11B—C12B—H12B	120.4
C12A—C13A—C8A	120.9 (7)	C12B—C13B—C8B	122.0 (7)
C12A—C13A—H13A	119.6	C12B—C13B—H13B	119.0
C8A—C13A—H13A	119.6	C8B—C13B—H13B	119.0
C22A—C21A—C26A	118.4 (7)	C26B—C21B—C22B	117.6 (6)
C22A—C21A—P1A	120.8 (6)	C26B—C21B—P1B	121.8 (5)
C26A—C21A—P1A	120.7 (5)	C22B—C21B—P1B	120.3 (5)
C21A—C22A—C23A	120.2 (7)	C23B—C22B—C21B	121.0 (7)
C21A—C22A—H22A	119.9	C23B—C22B—H22B	119.5
C23A—C22A—H22A	119.9	C21B—C22B—H22B	119.5
C24A—C23A—C22A	120.3 (7)	C24B—C23B—C22B	120.9 (7)
C24A—C23A—H23A	119.8	C24B—C23B—H23B	119.6
C22A—C23A—H23A	119.8	C22B—C23B—H23B	119.6
C25A—C24A—C23A	120.3 (7)	C23B—C24B—C25B	119.7 (7)
C25A—C24A—H24A	119.8	C23B—C24B—H24B	120.1
C23A—C24A—H24A	119.8	C25B—C24B—H24B	120.1
C24A—C25A—C26A	120.2 (8)	C24B—C25B—C26B	119.8 (7)
C24A—C25A—H25A	119.9	C24B—C25B—H25B	120.1
C26A—C25A—H25A	119.9	C26B—C25B—H25B	120.1
C25A—C26A—C21A	120.4 (7)	C21B—C26B—C25B	121.0 (7)
C25A—C26A—H26A	119.8	C21B—C26B—H26B	119.5
C21A—C26A—H26A	119.8	C25B—C26B—H26B	119.5
C32A—C31A—C36A	119.7 (7)	C32B—C31B—C36B	116.9 (6)
C32A—C31A—P1A	120.0 (6)	C32B—C31B—P1B	121.3 (5)
C36A—C31A—P1A	120.2 (6)	C36B—C31B—P1B	121.7 (5)
C31A—C32A—C33A	119.4 (7)	C33B—C32B—C31B	120.8 (7)
C31A—C32A—H32A	120.3	C33B—C32B—H32B	119.6
C33A—C32A—H32A	120.3	C31B—C32B—H32B	119.6
C34A—C33A—C32A	121.1 (7)	C32B—C33B—C34B	121.0 (7)
C34A—C33A—H33A	119.5	C32B—C33B—H33B	119.5
C32A—C33A—H33A	119.5	C34B—C33B—H33B	119.5
C35A—C34A—C33A	119.7 (7)	C33B—C34B—C35B	120.4 (7)
C35A—C34A—H34A	120.1	C33B—C34B—H34B	119.8
C33A—C34A—H34A	120.1	C35B—C34B—H34B	119.8
C34A—C35A—C36A	122.0 (7)	C36B—C35B—C34B	117.6 (7)
C34A—C35A—H35A	119.0	C36B—C35B—H35B	121.2
C36A—C35A—H35A	119.0	C34B—C35B—H35B	121.2
C35A—C36A—C31A	118.1 (7)	C35B—C36B—C31B	123.2 (7)
C35A—C36A—H36A	120.9	C35B—C36B—H36B	118.4
C31A—C36A—H36A	120.9	C31B—C36B—H36B	118.4
C46A—C41A—C42A	117.3 (7)	C46B—C41B—C42B	118.8 (6)
C46A—C41A—P2A	125.9 (6)	C46B—C41B—P2B	123.5 (5)
C42A—C41A—P2A	116.8 (5)	C42B—C41B—P2B	117.6 (5)
C43A—C42A—C41A	121.2 (7)	C43B—C42B—C41B	120.8 (7)
C43A—C42A—H42A	119.4	C43B—C42B—H42B	119.6
C41A—C42A—H42A	119.4	C41B—C42B—H42B	119.6
C42A—C43A—C44A	120.6 (7)	C42B—C43B—C44B	120.4 (7)
C42A—C43A—H43A	119.7	C42B—C43B—H43B	119.8
C44A—C43A—H43A	119.7	C44B—C43B—H43B	119.8
C43A—C44A—C45A	119.7 (7)	C43B—C44B—C45B	119.6 (7)
C43A—C44A—H44A	120.1	C43B—C44B—H44B	120.2
C45A—C44A—H44A	120.1	C45B—C44B—H44B	120.2
C46A—C45A—C44A	120.0 (7)	C46B—C45B—C44B	119.9 (7)
C46A—C45A—H45A	120.0	C46B—C45B—H45B	120.0
C44A—C45A—H45A	120.0	C44B—C45B—H45B	120.0
C45A—C46A—C41A	121.1 (7)	C45B—C46B—C41B	120.6 (7)
C45A—C46A—H46A	119.5	C45B—C46B—H46B	119.7
C41A—C46A—H46A	119.5	C41B—C46B—H46B	119.7
C52A—C51A—C56A	119.0 (7)	C56B—C51B—C52B	118.7 (7)
C52A—C51A—P2A	119.3 (5)	C56B—C51B—P2B	122.0 (6)
C56A—C51A—P2A	121.6 (6)	C52B—C51B—P2B	119.0 (5)
C51A—C52A—C53A	120.0 (8)	C51B—C52B—C53B	121.1 (8)
C51A—C52A—H52A	120.0	C51B—C52B—H52B	119.5
C53A—C52A—H52A	120.0	C53B—C52B—H52B	119.5
C54A—C53A—C52A	118.8 (8)	C54B—C53B—C52B	119.3 (8)
C54A—C53A—H53A	120.6	C54B—C53B—H53B	120.4
C52A—C53A—H53A	120.6	C52B—C53B—H53B	120.4
C55A—C54A—C53A	121.2 (8)	C53B—C54B—C55B	120.4 (8)
C55A—C54A—H54A	119.4	C53B—C54B—H54B	119.8
C53A—C54A—H54A	119.4	C55B—C54B—H54B	119.8
C56A—C55A—C54A	119.8 (8)	C54B—C55B—C56B	119.3 (8)
C56A—C55A—H55A	120.1	C54B—C55B—H55B	120.4
C54A—C55A—H55A	120.1	C56B—C55B—H55B	120.4
C55A—C56A—C51A	121.3 (8)	C51B—C56B—C55B	121.1 (8)
C55A—C56A—H56A	119.4	C51B—C56B—H56B	119.4
C51A—C56A—H56A	119.4	C55B—C56B—H56B	119.4
C62A—C61A—C66A	117.4 (7)	C62B—C61B—C66B	117.7 (7)
C62A—C61A—P2A	121.2 (6)	C62B—C61B—P2B	119.8 (5)
C66A—C61A—P2A	121.4 (6)	C66B—C61B—P2B	122.4 (6)
C63A—C62A—C61A	122.8 (8)	C63B—C62B—C61B	121.1 (7)
C63A—C62A—H62A	118.6	C63B—C62B—H62B	119.5
C61A—C62A—H62A	118.6	C61B—C62B—H62B	119.5
C62A—C63A—C64A	119.7 (8)	C62B—C63B—C64B	120.4 (7)
C62A—C63A—H63A	120.1	C62B—C63B—H63B	119.8
C64A—C63A—H63A	120.1	C64B—C63B—H63B	119.8
C63A—C64A—C65A	119.1 (7)	C63B—C64B—C65B	119.8 (7)
C63A—C64A—H64A	120.4	C63B—C64B—H64B	120.1
C65A—C64A—H64A	120.4	C65B—C64B—H64B	120.1
C66A—C65A—C64A	120.4 (8)	C66B—C65B—C64B	119.1 (7)
C66A—C65A—H65A	119.8	C66B—C65B—H65B	120.4
C64A—C65A—H65A	119.8	C64B—C65B—H65B	120.4
C65A—C66A—C61A	120.6 (7)	C65B—C66B—C61B	121.9 (7)
C65A—C66A—H66A	119.7	C65B—C66B—H66B	119.0
C61A—C66A—H66A	119.7	C61B—C66B—H66B	119.0

Experimental details

Crystal data
Chemical formula	[RuCl₂(C₁₈H₁₅P)(C₂₅H₂₆NP)]
M_r	805.68
Crystal system, space group	Monoclinic, P2₁
Temperature (K)	150
a, b, c (Å)	14.6010 (5), 16.9630 (7), 14.7430 (7)
β (°)	90.8570 (14)
V (Å³)	3651.1 (3)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	0.70
Crystal size (mm)	0.12 × 0.10 × 0.04

Data collection
Diffractometer	Nonius KappaCCD diffractometer
Absorption correction	Multi-scan (SORTAV; Blessing, 1995)
T_min, T_max	0.893, 0.974
No. of measured, independent and observed [I > 2σ(I)] reflections	21972, 12013, 9236
R_int	0.082
(sin θ/λ)_max (Å⁻¹)	0.597

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.051, 0.118, 0.98
No. of reflections	12013
No. of parameters	883
No. of restraints	1
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.87, −0.67
Absolute structure	(Flack, 1983), 5320 Friedel pairs
Absolute structure parameter	0.02 (3)

Computer programs: COLLECT (Nonius, 1997-2002), DENZO-SMN (Otwinowski & Minor, 1997), DENZO-SMN, SHELXTL (Sheldrick, 2001), SHELXTL.

Selected geometric parameters (Å, º) top

Ru1A—N1A	2.115 (6)	Ru1B—N1B	2.119 (6)
Ru1A—P1A	2.2046 (18)	Ru1B—P1B	2.2027 (18)
Ru1A—P2A	2.3386 (18)	Ru1B—P2B	2.3280 (18)
Ru1A—Cl1A	2.3833 (18)	Ru1B—Cl2B	2.3891 (18)
Ru1A—Cl2A	2.3991 (18)	Ru1B—Cl1B	2.3985 (18)
N1A—C7A	1.288 (9)	N1B—C7B	1.296 (8)

N1A—Ru1A—P1A	84.89 (16)	N1B—Ru1B—P1B	85.31 (15)
N1A—Ru1A—P2A	173.58 (16)	N1B—Ru1B—P2B	174.55 (16)
P1A—Ru1A—P2A	100.02 (7)	P1B—Ru1B—P2B	99.59 (6)
N1A—Ru1A—Cl1A	84.18 (15)	N1B—Ru1B—Cl2B	87.58 (16)
P1A—Ru1A—Cl1A	103.87 (7)	P1B—Ru1B—Cl2B	90.36 (7)
P2A—Ru1A—Cl1A	90.59 (7)	P2B—Ru1B—Cl2B	94.74 (7)
N1A—Ru1A—Cl2A	90.18 (16)	N1B—Ru1B—Cl1B	86.70 (16)
P1A—Ru1A—Cl2A	89.72 (7)	P1B—Ru1B—Cl1B	104.41 (7)
P2A—Ru1A—Cl2A	93.96 (7)	P2B—Ru1B—Cl1B	89.74 (7)
Cl1A—Ru1A—Cl2A	164.70 (7)	Cl2B—Ru1B—Cl1B	163.65 (6)

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