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Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) bis[(4-methoxypyridine-κN)pentakis(thiocyanato-κN)ferrate(III)] hexakis(thiocyanato-κN)ferrate(III) with iron in three different octahedral coordination environments
The crystal structure of the title salt, (C(6)H(8)NO)(8)[Fe(NCS)(4)(C(6)H(7)NO)(2)][Fe(NCS)(5)(C(6)H(7)NO)](2)[Fe(NCS)(6)], comprises three negatively charged octahedral Fe(III) complexes with different coordination environments in which the Fe(III) atoms are coordinated by a different number of th...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947788/ https://www.ncbi.nlm.nih.gov/pubmed/29765708 http://dx.doi.org/10.1107/S2056989018001883 |
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author | Jochim, Aleksej Jess, Inke Näther, Christian |
author_facet | Jochim, Aleksej Jess, Inke Näther, Christian |
author_sort | Jochim, Aleksej |
collection | PubMed |
description | The crystal structure of the title salt, (C(6)H(8)NO)(8)[Fe(NCS)(4)(C(6)H(7)NO)(2)][Fe(NCS)(5)(C(6)H(7)NO)](2)[Fe(NCS)(6)], comprises three negatively charged octahedral Fe(III) complexes with different coordination environments in which the Fe(III) atoms are coordinated by a different number of thiocyanate anions and 4-methoxypyridine ligands. Charge balance is achieved by 4-methoxypyridinium cations. The asymmetric unit consists of three Fe(III) cations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thiocyanate anions, two 4-methoxypyridine ligands and 4-methoxypyridinium cations (one of which is disordered over two sets of sites). Beside to Coulombic interactions between organic cations and the ferrate(III) anions, weak N—H⋯S hydrogen-bonding interactions involving the pyridinium N—H groups of the cations and the thiocyanate S atoms of the complex anions are mainly responsible for the cohesion of the crystal structure. |
format | Online Article Text |
id | pubmed-5947788 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-59477882018-05-15 Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) bis[(4-methoxypyridine-κN)pentakis(thiocyanato-κN)ferrate(III)] hexakis(thiocyanato-κN)ferrate(III) with iron in three different octahedral coordination environments Jochim, Aleksej Jess, Inke Näther, Christian Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title salt, (C(6)H(8)NO)(8)[Fe(NCS)(4)(C(6)H(7)NO)(2)][Fe(NCS)(5)(C(6)H(7)NO)](2)[Fe(NCS)(6)], comprises three negatively charged octahedral Fe(III) complexes with different coordination environments in which the Fe(III) atoms are coordinated by a different number of thiocyanate anions and 4-methoxypyridine ligands. Charge balance is achieved by 4-methoxypyridinium cations. The asymmetric unit consists of three Fe(III) cations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thiocyanate anions, two 4-methoxypyridine ligands and 4-methoxypyridinium cations (one of which is disordered over two sets of sites). Beside to Coulombic interactions between organic cations and the ferrate(III) anions, weak N—H⋯S hydrogen-bonding interactions involving the pyridinium N—H groups of the cations and the thiocyanate S atoms of the complex anions are mainly responsible for the cohesion of the crystal structure. International Union of Crystallography 2018-02-02 /pmc/articles/PMC5947788/ /pubmed/29765708 http://dx.doi.org/10.1107/S2056989018001883 Text en © Jochim et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Jochim, Aleksej Jess, Inke Näther, Christian Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) bis[(4-methoxypyridine-κN)pentakis(thiocyanato-κN)ferrate(III)] hexakis(thiocyanato-κN)ferrate(III) with iron in three different octahedral coordination environments |
title | Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) bis[(4-methoxypyridine-κN)pentakis(thiocyanato-κN)ferrate(III)] hexakis(thiocyanato-κN)ferrate(III) with iron in three different octahedral coordination environments |
title_full | Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) bis[(4-methoxypyridine-κN)pentakis(thiocyanato-κN)ferrate(III)] hexakis(thiocyanato-κN)ferrate(III) with iron in three different octahedral coordination environments |
title_fullStr | Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) bis[(4-methoxypyridine-κN)pentakis(thiocyanato-κN)ferrate(III)] hexakis(thiocyanato-κN)ferrate(III) with iron in three different octahedral coordination environments |
title_full_unstemmed | Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) bis[(4-methoxypyridine-κN)pentakis(thiocyanato-κN)ferrate(III)] hexakis(thiocyanato-κN)ferrate(III) with iron in three different octahedral coordination environments |
title_short | Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) bis[(4-methoxypyridine-κN)pentakis(thiocyanato-κN)ferrate(III)] hexakis(thiocyanato-κN)ferrate(III) with iron in three different octahedral coordination environments |
title_sort | crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κn)tetrakis(thiocyanato-κn)ferrate(iii) bis[(4-methoxypyridine-κn)pentakis(thiocyanato-κn)ferrate(iii)] hexakis(thiocyanato-κn)ferrate(iii) with iron in three different octahedral coordination environments |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947788/ https://www.ncbi.nlm.nih.gov/pubmed/29765708 http://dx.doi.org/10.1107/S2056989018001883 |
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