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Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride
The complete nonanuclear cluster in bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di-μ-chlorido-tetrachloridooctakis(μ-3,5-dimethylpyrazolato)hexa-μ(3)-hydroxido-nonacopper(II) chloroform disolvate, [HIXy](2)[Cu(9)(μ-pz*)(8)(μ(3)-OH)(6)(μ(2)-Cl)(2)Cl(4)]·2CHCl(3) or (C(19)H(21)N(2))(2)...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7472752/ https://www.ncbi.nlm.nih.gov/pubmed/32939305 http://dx.doi.org/10.1107/S2056989020011275 |
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author | Dodds, Christopher A. Kennedy, Alan R. |
author_facet | Dodds, Christopher A. Kennedy, Alan R. |
author_sort | Dodds, Christopher A. |
collection | PubMed |
description | The complete nonanuclear cluster in bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di-μ-chlorido-tetrachloridooctakis(μ-3,5-dimethylpyrazolato)hexa-μ(3)-hydroxido-nonacopper(II) chloroform disolvate, [HIXy](2)[Cu(9)(μ-pz*)(8)(μ(3)-OH)(6)(μ(2)-Cl)(2)Cl(4)]·2CHCl(3) or (C(19)H(21)N(2))(2)[Cu(9)(C(5)H(7)N(2))(8)Cl(6)(OH)(6)]·2CHCl(3), where pz* is the 3,5-dimethylpyrazolyl anion, C(5)H(7)N(2) (−), and HIXy is the 1,3-bis(2,6-dimethylphenyl)imidazolium cation, C(19)H(21)N(2) (+), is generated by a crystallographic centre of symmetry with a square-planar Cu(II) ion bound to four μ(3)-OH ions lying on the inversion centre. Of the four remaining unique Cu(II) atoms, three adopt CuN(2)O(2)Cl square-pyramidal coordination geometries with the chloride ion in the apical position and one has a distorted CuN(2)OCl tetrahedral geometry. The dianionic nonanuclear core can be described as a 24-membered [CuNN](8) ring that contains a Cu(9)O(6)Cl(6) core. The cluster features three intramolecular O—H⋯Cl hydrogen bonds. In the crystal, weak C—H⋯N and C—H⋯Cl interactions link the components. Polynuclear paramagnetic clusters of this type are of considerable interest due to their relevance to both the bioinorganic and single-molecule magnets research fields. |
format | Online Article Text |
id | pubmed-7472752 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-74727522020-09-15 Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride Dodds, Christopher A. Kennedy, Alan R. Acta Crystallogr E Crystallogr Commun Research Communications The complete nonanuclear cluster in bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di-μ-chlorido-tetrachloridooctakis(μ-3,5-dimethylpyrazolato)hexa-μ(3)-hydroxido-nonacopper(II) chloroform disolvate, [HIXy](2)[Cu(9)(μ-pz*)(8)(μ(3)-OH)(6)(μ(2)-Cl)(2)Cl(4)]·2CHCl(3) or (C(19)H(21)N(2))(2)[Cu(9)(C(5)H(7)N(2))(8)Cl(6)(OH)(6)]·2CHCl(3), where pz* is the 3,5-dimethylpyrazolyl anion, C(5)H(7)N(2) (−), and HIXy is the 1,3-bis(2,6-dimethylphenyl)imidazolium cation, C(19)H(21)N(2) (+), is generated by a crystallographic centre of symmetry with a square-planar Cu(II) ion bound to four μ(3)-OH ions lying on the inversion centre. Of the four remaining unique Cu(II) atoms, three adopt CuN(2)O(2)Cl square-pyramidal coordination geometries with the chloride ion in the apical position and one has a distorted CuN(2)OCl tetrahedral geometry. The dianionic nonanuclear core can be described as a 24-membered [CuNN](8) ring that contains a Cu(9)O(6)Cl(6) core. The cluster features three intramolecular O—H⋯Cl hydrogen bonds. In the crystal, weak C—H⋯N and C—H⋯Cl interactions link the components. Polynuclear paramagnetic clusters of this type are of considerable interest due to their relevance to both the bioinorganic and single-molecule magnets research fields. International Union of Crystallography 2020-08-21 /pmc/articles/PMC7472752/ /pubmed/32939305 http://dx.doi.org/10.1107/S2056989020011275 Text en © Dodds and Kennedy 2020 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 Dodds, Christopher A. Kennedy, Alan R. Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
title | Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
title_full | Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
title_fullStr | Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
title_full_unstemmed | Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
title_short | Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
title_sort | formation of a nonanuclear copper(ii) cluster with 3,5-dimethylpyrazolate starting from an nhc complex of copper(i) chloride |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7472752/ https://www.ncbi.nlm.nih.gov/pubmed/32939305 http://dx.doi.org/10.1107/S2056989020011275 |
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