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Pyridinium bis­(pyridine-κN)tetra­kis­(thio­cyanato-κN)ferrate(III)

In the title compound, (C(5)H(6)N)[Fe(NCS)(4)(C(5)H(5)N)(2)], the Fe(III) ion is coordinated by four thio­cyanate N atoms and two pyridine N atoms in a trans arrangement, forming an FeN(6) polyhedron with a slightly distorted octa­hedral geometry. Charge balance is achieved by one pyridinium cation...

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Autores principales: Shylin, Sergii I., Gural’skiy, Il’ya A., Haukka, Matti, Kapshuk, Anatoliy A., Prisyazhnaya, Elena V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684869/
https://www.ncbi.nlm.nih.gov/pubmed/23794971
http://dx.doi.org/10.1107/S1600536813011628
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author Shylin, Sergii I.
Gural’skiy, Il’ya A.
Haukka, Matti
Kapshuk, Anatoliy A.
Prisyazhnaya, Elena V.
author_facet Shylin, Sergii I.
Gural’skiy, Il’ya A.
Haukka, Matti
Kapshuk, Anatoliy A.
Prisyazhnaya, Elena V.
author_sort Shylin, Sergii I.
collection PubMed
description In the title compound, (C(5)H(6)N)[Fe(NCS)(4)(C(5)H(5)N)(2)], the Fe(III) ion is coordinated by four thio­cyanate N atoms and two pyridine N atoms in a trans arrangement, forming an FeN(6) polyhedron with a slightly distorted octa­hedral geometry. Charge balance is achieved by one pyridinium cation bound to the complex anion via N—H⋯S hydrogen bonding. The asymmetric unit consists of one Fe(III) cation, four thio­cyanate anions, two coordinated pyridine mol­ecules and one pyridinium cation. The structure exhibits π–π inter­actions between pyridine rings [centroid–centroid distances = 3.7267 (2), 3.7811 (2) and 3.8924 (2) Å]. The N atom and a neighboring C atom of the pyridinium cation are statistically disordered with an occupancy ratio of 0.58 (2):0.42 (2).
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spelling pubmed-36848692013-06-21 Pyridinium bis­(pyridine-κN)tetra­kis­(thio­cyanato-κN)ferrate(III) Shylin, Sergii I. Gural’skiy, Il’ya A. Haukka, Matti Kapshuk, Anatoliy A. Prisyazhnaya, Elena V. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, (C(5)H(6)N)[Fe(NCS)(4)(C(5)H(5)N)(2)], the Fe(III) ion is coordinated by four thio­cyanate N atoms and two pyridine N atoms in a trans arrangement, forming an FeN(6) polyhedron with a slightly distorted octa­hedral geometry. Charge balance is achieved by one pyridinium cation bound to the complex anion via N—H⋯S hydrogen bonding. The asymmetric unit consists of one Fe(III) cation, four thio­cyanate anions, two coordinated pyridine mol­ecules and one pyridinium cation. The structure exhibits π–π inter­actions between pyridine rings [centroid–centroid distances = 3.7267 (2), 3.7811 (2) and 3.8924 (2) Å]. The N atom and a neighboring C atom of the pyridinium cation are statistically disordered with an occupancy ratio of 0.58 (2):0.42 (2). International Union of Crystallography 2013-05-04 /pmc/articles/PMC3684869/ /pubmed/23794971 http://dx.doi.org/10.1107/S1600536813011628 Text en © Shylin et al. 2013 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
Shylin, Sergii I.
Gural’skiy, Il’ya A.
Haukka, Matti
Kapshuk, Anatoliy A.
Prisyazhnaya, Elena V.
Pyridinium bis­(pyridine-κN)tetra­kis­(thio­cyanato-κN)ferrate(III)
title Pyridinium bis­(pyridine-κN)tetra­kis­(thio­cyanato-κN)ferrate(III)
title_full Pyridinium bis­(pyridine-κN)tetra­kis­(thio­cyanato-κN)ferrate(III)
title_fullStr Pyridinium bis­(pyridine-κN)tetra­kis­(thio­cyanato-κN)ferrate(III)
title_full_unstemmed Pyridinium bis­(pyridine-κN)tetra­kis­(thio­cyanato-κN)ferrate(III)
title_short Pyridinium bis­(pyridine-κN)tetra­kis­(thio­cyanato-κN)ferrate(III)
title_sort pyridinium bis­(pyridine-κn)tetra­kis­(thio­cyanato-κn)ferrate(iii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684869/
https://www.ncbi.nlm.nih.gov/pubmed/23794971
http://dx.doi.org/10.1107/S1600536813011628
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