Crystal structure of (2,11-diaza[ 3.3](2,6) pyridinophane-kappa N-4, N', N'', N''') (1,6,7,12-tetraazaperylene-kappa N-2(1), N-12) ruthenium(II) bis(hexafluoridophosphate) acetonitrile 1.422-solvate

In the title compound, [Ru(C14H16N4)(C16H8N4)](PF6)(2) center dot 1.422CH(3)CN, discrete dimers of complex cations, [Ru(L-N4H2) tape](2+) are formed {L-N4H2 = 2,11-diaza[3.3](2,6) pyridinophane; tape = 1,6,7,12-tetraazaperylene}, held together by pi-pi stacking interactions via the tape ligand moieties with a centroidcentroid distance of 3.49 (2) angstrom, assisted by hydrogen bonds between the noncoordinating tape ligand alpha,alpha '-diimine unit and the amine proton of a 2,11diaza[3.3](2,6)-pyridinophane ligand of the opposite complex cation. The combination of these interactions leads to an unusual nearly face-to-face pi-pi stacking mode. Additional weak C-H center dot center dot center dot N, C-H center dot center dot center dot F, N-H center dot center dot center dot Fand P-F center dot center dot center dot pi ring (tape, py) (with F center dot center dot center dot centroid distances of 2.925-3.984 angstrom) interactions are found, leading to a three-dimensional architecture. The Ru II atom is coordinated in a distorted octahedral geometry, particularly manifested by the Namine-RuNamine angle of 153.79 (10)degrees. The counter-charge is provided by two hexafluoridophosphate anions and the asymmetric unit is completed by acetonitrile solvent molecules of crystallization. Disorder was observed for both the hexafluoridophosphate anions as well as the acetonitrile solvate molecules, with occupancies for the major moieties of 0.801 (6) for one of the PF6 anions, and a shared occupancy of 0.9215 (17) for the second PF6 anion and a partially occupied acetonitrile molecule. A second CH3CN molecule is fully occupied, but 1: 1 disordered across a crystallographic inversion center.