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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...

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Autores principales: Jochim, Aleksej, Jess, Inke, Näther, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
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.
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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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