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(1,6,7,12-Tetra-aza-perylene-?(2) N,N')bis-(4,4',5,5'-tetra-methyl-2,2'-bipyridyl-?(2) N,N')ruthenium(II) bis-(hexa-fluorido-phosphate) aceto-nitrile tris-olvate.

ABSTRACT: In the title compound, rac-[Ru(C14H16N2)2(C16H8N4)](PF6)2·3C2H3N, discrete dimers of complex cations, [Ru(tmbpy)2-tape](2+), of opposite chirality are formed (tmbpy = tetra-methyl-bipyridine; tape = tetraazaperylene), held together by ?-? stacking inter-actions between the tetra-aza-perylene moieties with centroid-centroid distances in the range 3.563?(3)-3.837?(3)?Å. These inter-actions exhibit a parallel displaced ?-? stacking mode. Additional weak C-H??-ring and C-H?N and C-H?F inter-actions are found, leading to a three-dimensional architecture. The Ru(II) atom is coordinated in a distorted octa-hedral geometry. The counter-charge is provided by two hexa-fluorido-phosphate anions and the asymmetric unit is completed by three aceto-nitrile solvent mol-ecules of crystallization. Four F atoms of one PF6 (-) anion are disordered over three sets of sites with occupancies of 0.517?(3):0.244?(3):0.239?(3). Two aceto-nitrile solvent mol-ecules are highly disordered and their estimated scattering contribution was subtracted from the observed diffraction data using the SQUEEZE option in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155].

SUBMITTER: Brietzke T 

PROVIDER: S-EPMC4051039 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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(1,6,7,12-Tetra-aza-perylene-κ(2) N,N')bis-(4,4',5,5'-tetra-methyl-2,2'-bipyridyl-κ(2) N,N')ruthenium(II) bis-(hexa-fluorido-phosphate) aceto-nitrile tris-olvate.

Brietzke Thomas T   Kässler Daniel D   Kelling Alexandra A   Schilde Uwe U   Holdt Hans-Jürgen HJ  

Acta crystallographica. Section E, Structure reports online 20140531 Pt 6

In the title compound, rac-[Ru(C14H16N2)2(C16H8N4)](PF6)2·3C2H3N, discrete dimers of complex cations, [Ru(tmbpy)2-tape](2+), of opposite chirality are formed (tmbpy = tetra-methyl-bipyridine; tape = tetraazaperylene), held together by π-π stacking inter-actions between the tetra-aza-perylene moieties with centroid-centroid distances in the range 3.563 (3)-3.837 (3) Å. These inter-actions exhibit a parallel displaced π-π stacking mode. Additional weak C-H⋯π-ring and C-H⋯N and C-H⋯F inter-actions  ...[more]

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