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(1,6,7,12-Tetra­aza­perylene-κ(2) N,N′)bis­(4,4′,5,5′-tetra­methyl-2,2′-bipyridyl-κ(2) N,N′)ruthenium(II) bis­(hexa­fluorido­phosphate) aceto­nitrile tris­olvate

In the title compound, rac-[Ru(C(14)H(16)N(2))(2)(C(16)H(8)N(4))](PF(6))(2)·3C(2)H(3)N, discrete dimers of complex cations, [Ru(tmbpy)(2)­tape](2+), of opposite chirality are formed (tmbpy = tetra­methyl­bipyridine; tape = tetraazaperylene), held together by π–π stacking inter­actions between the te...

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Autores principales: Brietzke, Thomas, Kässler, Daniel, 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/PMC4051039/
https://www.ncbi.nlm.nih.gov/pubmed/24940217
http://dx.doi.org/10.1107/S1600536814011969
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author Brietzke, Thomas
Kässler, Daniel
Kelling, Alexandra
Schilde, Uwe
Holdt, Hans-Jürgen
author_facet Brietzke, Thomas
Kässler, Daniel
Kelling, Alexandra
Schilde, Uwe
Holdt, Hans-Jürgen
author_sort Brietzke, Thomas
collection PubMed
description In the title compound, rac-[Ru(C(14)H(16)N(2))(2)(C(16)H(8)N(4))](PF(6))(2)·3C(2)H(3)N, discrete dimers of complex cations, [Ru(tmbpy)(2)­tape](2+), of opposite chirality are formed (tmbpy = tetra­methyl­bipyridine; tape = tetraazaperylene), held together by π–π stacking inter­actions between the tetra­aza­perylene moieties with centroid–centroid distances in the range 3.563 (3)–3.837 (3) Å. These inter­actions exhibit a parallel displaced π–π stacking mode. Additional weak C—H⋯π-ring and C—H⋯N and C—H⋯F inter­actions are found, leading to a three-dimensional architecture. The Ru(II) atom is coordinated in a distorted octa­hedral geometry. The counter-charge is provided by two hexa­fluorido­phosphate anions and the asymmetric unit is completed by three aceto­nitrile solvent mol­ecules of crystallization. Four F atoms of one PF(6) (−) anion are disordered over three sets of sites with occupancies of 0.517 (3):0.244 (3):0.239 (3). Two aceto­nitrile solvent mol­ecules 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].
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spelling pubmed-40510392014-06-17 (1,6,7,12-Tetra­aza­perylene-κ(2) N,N′)bis­(4,4′,5,5′-tetra­methyl-2,2′-bipyridyl-κ(2) N,N′)ruthenium(II) bis­(hexa­fluorido­phosphate) aceto­nitrile tris­olvate Brietzke, Thomas Kässler, Daniel Kelling, Alexandra Schilde, Uwe Holdt, Hans-Jürgen Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, rac-[Ru(C(14)H(16)N(2))(2)(C(16)H(8)N(4))](PF(6))(2)·3C(2)H(3)N, discrete dimers of complex cations, [Ru(tmbpy)(2)­tape](2+), of opposite chirality are formed (tmbpy = tetra­methyl­bipyridine; tape = tetraazaperylene), held together by π–π stacking inter­actions between the tetra­aza­perylene moieties with centroid–centroid distances in the range 3.563 (3)–3.837 (3) Å. These inter­actions exhibit a parallel displaced π–π stacking mode. Additional weak C—H⋯π-ring and C—H⋯N and C—H⋯F inter­actions are found, leading to a three-dimensional architecture. The Ru(II) atom is coordinated in a distorted octa­hedral geometry. The counter-charge is provided by two hexa­fluorido­phosphate anions and the asymmetric unit is completed by three aceto­nitrile solvent mol­ecules of crystallization. Four F atoms of one PF(6) (−) anion are disordered over three sets of sites with occupancies of 0.517 (3):0.244 (3):0.239 (3). Two aceto­nitrile solvent mol­ecules 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]. International Union of Crystallography 2014-05-31 /pmc/articles/PMC4051039/ /pubmed/24940217 http://dx.doi.org/10.1107/S1600536814011969 Text en © Brietzke et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Brietzke, Thomas
Kässler, Daniel
Kelling, Alexandra
Schilde, Uwe
Holdt, Hans-Jürgen
(1,6,7,12-Tetra­aza­perylene-κ(2) N,N′)bis­(4,4′,5,5′-tetra­methyl-2,2′-bipyridyl-κ(2) N,N′)ruthenium(II) bis­(hexa­fluorido­phosphate) aceto­nitrile tris­olvate
title (1,6,7,12-Tetra­aza­perylene-κ(2) N,N′)bis­(4,4′,5,5′-tetra­methyl-2,2′-bipyridyl-κ(2) N,N′)ruthenium(II) bis­(hexa­fluorido­phosphate) aceto­nitrile tris­olvate
title_full (1,6,7,12-Tetra­aza­perylene-κ(2) N,N′)bis­(4,4′,5,5′-tetra­methyl-2,2′-bipyridyl-κ(2) N,N′)ruthenium(II) bis­(hexa­fluorido­phosphate) aceto­nitrile tris­olvate
title_fullStr (1,6,7,12-Tetra­aza­perylene-κ(2) N,N′)bis­(4,4′,5,5′-tetra­methyl-2,2′-bipyridyl-κ(2) N,N′)ruthenium(II) bis­(hexa­fluorido­phosphate) aceto­nitrile tris­olvate
title_full_unstemmed (1,6,7,12-Tetra­aza­perylene-κ(2) N,N′)bis­(4,4′,5,5′-tetra­methyl-2,2′-bipyridyl-κ(2) N,N′)ruthenium(II) bis­(hexa­fluorido­phosphate) aceto­nitrile tris­olvate
title_short (1,6,7,12-Tetra­aza­perylene-κ(2) N,N′)bis­(4,4′,5,5′-tetra­methyl-2,2′-bipyridyl-κ(2) N,N′)ruthenium(II) bis­(hexa­fluorido­phosphate) aceto­nitrile tris­olvate
title_sort (1,6,7,12-tetra­aza­perylene-κ(2) n,n′)bis­(4,4′,5,5′-tetra­methyl-2,2′-bipyridyl-κ(2) n,n′)ruthenium(ii) bis­(hexa­fluorido­phosphate) aceto­nitrile tris­olvate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051039/
https://www.ncbi.nlm.nih.gov/pubmed/24940217
http://dx.doi.org/10.1107/S1600536814011969
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