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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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Autores principales: Dodds, Christopher A., Kennedy, Alan R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
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.
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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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