μ-1,6,7,12-Tetraazaperylene-κ4 N 1,N 12:N 6,N 7-bis[chlorido(η6-p-cymene)ruthenium(II)] bis(hexafluoridophosphate) acetone disolvate

In the title compound, [Ru2(C10H14)2Cl2(C16H8N4)](PF6)2·2C3H6O, the binuclear RuII complex dication, [{RuCl(η6-cym)}2(μ-tape)]2+, built up by a planar 1,6,7,12-tetraazaperylene (tape) bridge, two η6-bound cymene (cym) ligands and two chloride ligands, includes an inversion center. The RuII atom shows the typical piano-stool motif for arene coordination. The counter-charge is provided by a hexafluoridophosphate anion and the asymmetric unit is completed by an acetone molecule of crystallization. The components of the structure are connected into a three-dimensional architecture by C—H⋯O/F/Cl interactions.

Supporting information for this paper is available from the IUCr electronic archives (Reference: TK5277).
Dark crystals began to form at ambient temperature within one night.

Refinement
All hydrogen atoms were calculated in their expected positions and refined as riding atoms with U iso (H)=1.2U eq (C) with the exception of methyl hydrogen atoms, which were refined with U iso (H)=1.5U eq (C). The maximum residual electron density peak of 1.17 eÅ -3 was located 1.45 Å from the Ru atom.

Figure 1
ORTEP drawing of asymmetric unit with the atomic numbering scheme and 30% probability displacement ellipsoids for non-hydrogen atoms.  The molecular structure of the title compound.

Figure 3
A packing diagram of the title compound is displayed approximately along the b axis. Hydrogen bonds are shown as orange dashed lines. One C-H···F hydrogen bond running along b was omitted for clarity.  Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on all data will be even larger.