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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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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
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author Brietzke, Thomas
Rottke, Falko Otto
Kelling, Alexandra
Schilde, Uwe
Holdt, Hans-Jürgen
author_facet Brietzke, Thomas
Rottke, Falko Otto
Kelling, Alexandra
Schilde, Uwe
Holdt, Hans-Jürgen
author_sort Brietzke, Thomas
collection PubMed
description 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.
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spelling pubmed-42571992014-12-05 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 Brietzke, Thomas Rottke, Falko Otto Kelling, Alexandra Schilde, Uwe Holdt, Hans-Jürgen Acta Crystallogr Sect E Struct Rep Online Research Communications 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. International Union of Crystallography 2014-09-30 /pmc/articles/PMC4257199/ /pubmed/25484670 http://dx.doi.org/10.1107/S1600536814021060 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 Research Communications
Brietzke, Thomas
Rottke, Falko Otto
Kelling, Alexandra
Schilde, Uwe
Holdt, Hans-Jürgen
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257199/
https://www.ncbi.nlm.nih.gov/pubmed/25484670
http://dx.doi.org/10.1107/S1600536814021060
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