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

In the title compound, [Ru(C(14)H(16)N(4))(C(16)H(8)N(4))](PF(6))(2)·1.422CH(3)CN, discrete dimers of complex cations, [Ru(L–N(4)H(2))tape](2+) are formed {L–N(4)H(2) = 2,11-di­aza­[3.3](2,6)pyridino­phane; tape = 1,6,7,12-tetra­aza­perylene}, held together by π–π stacking inter­actions via the tape...

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Detalles Bibliográficos
Autores principales: Brietzke, Thomas, Rottke, Falko Otto, Kelling, Alexandra, Schilde, Uwe, Holdt, Hans-Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257199/
https://www.ncbi.nlm.nih.gov/pubmed/25484670
http://dx.doi.org/10.1107/S1600536814021060
Descripción
Sumario:In the title compound, [Ru(C(14)H(16)N(4))(C(16)H(8)N(4))](PF(6))(2)·1.422CH(3)CN, discrete dimers of complex cations, [Ru(L–N(4)H(2))tape](2+) are formed {L–N(4)H(2) = 2,11-di­aza­[3.3](2,6)pyridino­phane; tape = 1,6,7,12-tetra­aza­perylene}, held together by π–π stacking inter­actions via the tape ligand moieties with a centroid–centroid distance of 3.49 (2) Å, assisted by hydrogen bonds between the non-coordinating tape ligand α,α′-di­imine unit and the amine proton of a 2,11-di­aza­[3.3](2,6)-pyridino­phane ligand of the opposite complex cation. The combination of these inter­actions leads to an unusual nearly face-to-face π–π stacking mode. Additional weak C—H⋯N, C—H⋯F, N—H⋯F and P—F⋯π-ring (tape, py) (with F⋯centroid distances of 2.925–3.984 Å) inter­actions are found, leading to a three-dimensional architecture. The Ru(II) atom is coordinated in a distorted octa­hedral geometry, particularly manifested by the N(amine)—Ru—N(amine) angle of 153.79 (10)°. 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 PF(6) anions, and a shared occupancy of 0.9215 (17) for the second PF(6) anion and a partially occupied aceto­nitrile mol­ecule. A second CH(3)CN mol­ecule is fully occupied, but 1:1 disordered across a crystallographic inversion center.