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-μ3-hydroxido-nonacopper(II) chloroform disolvate, [HIXy]2[Cu9(μ-pz*)8(μ3-OH)6(μ2-Cl)2Cl4]·2CHCl3 or (C19H21N2)2[Cu9(C5H7N2)8Cl6(OH)6]·2CHCl3, where pz* is...

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Bibliographic Details
Main Authors: Christopher A. Dodds, Alan R. Kennedy
Format: Article
Language:English
Published: International Union of Crystallography 2020-09-01
Series:Acta Crystallographica Section E: Crystallographic Communications
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Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989020011275
Description
Summary:The complete nonanuclear cluster in bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di-μ-chlorido-tetrachloridooctakis(μ-3,5-dimethylpyrazolato)hexa-μ3-hydroxido-nonacopper(II) chloroform disolvate, [HIXy]2[Cu9(μ-pz*)8(μ3-OH)6(μ2-Cl)2Cl4]·2CHCl3 or (C19H21N2)2[Cu9(C5H7N2)8Cl6(OH)6]·2CHCl3, where pz* is the 3,5-dimethylpyrazolyl anion, C5H7N2−, and HIXy is the 1,3-bis(2,6-dimethylphenyl)imidazolium cation, C19H21N2+, is generated by a crystallographic centre of symmetry with a square-planar CuII ion bound to four μ3-OH ions lying on the inversion centre. Of the four remaining unique CuII atoms, three adopt CuN2O2Cl square-pyramidal coordination geometries with the chloride ion in the apical position and one has a distorted CuN2OCl tetrahedral geometry. The dianionic nonanuclear core can be described as a 24-membered [CuNN]8 ring that contains a Cu9O6Cl6 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.
ISSN:2056-9890