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Crystal structure and magnetic properties of bis[butyltris(1H-pyrazol-1-yl)borato]iron(II)
The asymmetric unit of the title compound, [Fe(C(13)H(18)BN(6))(2)], contains two half independent complex molecules. In each complex, the Fe(II) atom is located on an inversion center and is surrounded by two scorpionate ligand butyltris(1H-pyrazol-1-yl)borate molecules that coordinate to the i...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727041/ https://www.ncbi.nlm.nih.gov/pubmed/31523459 http://dx.doi.org/10.1107/S2056989019011137 |
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author | Seredyuk, Maksym Znovjyak, Kateryna Fritsky, Igor O. Sliva, Tatiana Y. Slobodyanik, Mykola S. |
author_facet | Seredyuk, Maksym Znovjyak, Kateryna Fritsky, Igor O. Sliva, Tatiana Y. Slobodyanik, Mykola S. |
author_sort | Seredyuk, Maksym |
collection | PubMed |
description | The asymmetric unit of the title compound, [Fe(C(13)H(18)BN(6))(2)], contains two half independent complex molecules. In each complex, the Fe(II) atom is located on an inversion center and is surrounded by two scorpionate ligand butyltris(1H-pyrazol-1-yl)borate molecules that coordinate to the iron(II) ion through the N atoms of the pyrazole groups. The two independent complex molecules differ essentially in the conformation of the butyl substituents. In the crystal, the complex molecules are linked by a series of C—H⋯π interactions, which generate a supramolecular three-dimensional structure. At 120 K, the average Fe—N bond distance is 1.969 Å, indicating the low-spin state of the iron(II) atom, which does not change upon heating, as demonstrated by high-temperature magnetic susceptibility measurements. |
format | Online Article Text |
id | pubmed-6727041 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-67270412019-09-13 Crystal structure and magnetic properties of bis[butyltris(1H-pyrazol-1-yl)borato]iron(II) Seredyuk, Maksym Znovjyak, Kateryna Fritsky, Igor O. Sliva, Tatiana Y. Slobodyanik, Mykola S. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, [Fe(C(13)H(18)BN(6))(2)], contains two half independent complex molecules. In each complex, the Fe(II) atom is located on an inversion center and is surrounded by two scorpionate ligand butyltris(1H-pyrazol-1-yl)borate molecules that coordinate to the iron(II) ion through the N atoms of the pyrazole groups. The two independent complex molecules differ essentially in the conformation of the butyl substituents. In the crystal, the complex molecules are linked by a series of C—H⋯π interactions, which generate a supramolecular three-dimensional structure. At 120 K, the average Fe—N bond distance is 1.969 Å, indicating the low-spin state of the iron(II) atom, which does not change upon heating, as demonstrated by high-temperature magnetic susceptibility measurements. International Union of Crystallography 2019-08-20 /pmc/articles/PMC6727041/ /pubmed/31523459 http://dx.doi.org/10.1107/S2056989019011137 Text en © Seredyuk et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/ |
spellingShingle | Research Communications Seredyuk, Maksym Znovjyak, Kateryna Fritsky, Igor O. Sliva, Tatiana Y. Slobodyanik, Mykola S. Crystal structure and magnetic properties of bis[butyltris(1H-pyrazol-1-yl)borato]iron(II) |
title | Crystal structure and magnetic properties of bis[butyltris(1H-pyrazol-1-yl)borato]iron(II) |
title_full | Crystal structure and magnetic properties of bis[butyltris(1H-pyrazol-1-yl)borato]iron(II) |
title_fullStr | Crystal structure and magnetic properties of bis[butyltris(1H-pyrazol-1-yl)borato]iron(II) |
title_full_unstemmed | Crystal structure and magnetic properties of bis[butyltris(1H-pyrazol-1-yl)borato]iron(II) |
title_short | Crystal structure and magnetic properties of bis[butyltris(1H-pyrazol-1-yl)borato]iron(II) |
title_sort | crystal structure and magnetic properties of bis[butyltris(1h-pyrazol-1-yl)borato]iron(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727041/ https://www.ncbi.nlm.nih.gov/pubmed/31523459 http://dx.doi.org/10.1107/S2056989019011137 |
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