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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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]. |
format | Online Article Text |
id | pubmed-4051039 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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