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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...

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Autores principales: Seredyuk, Maksym, Znovjyak, Kateryna, Fritsky, Igor O., Sliva, Tatiana Y., Slobodyanik, Mykola S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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