Abstract
The complete nona-nuclear cluster in bis-[1,3-bis-(2,6-di-methyl-phen-yl)imid-azol-ium] di-μ-chlorido-tetra-chlorido-octa-kis-(μ-3,5-di-methyl-pyrazolato)hexa-μ3-hydroxido-nona-copper(II) chloro-form 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-di-methyl-pyrazolyl anion, C5H7N2 -, and HIXy is the 1,3-bis-(2,6-di-methyl-phen-yl)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 tetra-hedral geometry. The dianionic nona-nuclear core can be described as a 24-membered [CuNN]8 ring that contains a Cu9O6Cl6 core. The cluster features three intra-molecular O-H⋯Cl hydrogen bonds. In the crystal, weak C-H⋯N and C-H⋯Cl inter-actions link the components. Polynuclear paramagnetic clusters of this type are of considerable inter-est due to their relevance to both the bioinorganic and single-mol-ecule magnets research fields.
Highlights
The complete nonanuclear cluster in bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di--chlorido-tetrachloridooctakis(-3,5-dimethylpyrazolato)hexa-3hydroxido-nonacopper(II) chloroform disolvate, [HIXy]2[Cu9(-pz*)8(3OH)6(2-Cl)2Cl4]Á2CHCl3 or (C19H21N2)2[Cu9(C5H7N2)8Cl6(OH)6]Á2CHCl3, where pz* is the 3,5-dimethylpyrazolyl anion, C5H7N2À, and HIXy is the 1,3bis(2,6-dimethylphenyl)imidazolium cation, C19H21N2+, is generated by a crystallographic centre of symmetry with a square-planar CuII ion bound to four 3-OH ions lying on the inversion centre
The study of N-heterocyclic carbene (NHC) complexes of the group 11 metals has proven fruitful for researchers active in this field
Copper (Egbert et al, 2013) and gold (DıezGonzalez et al, 2009) complexes have proven useful in catalysis while silver complexes are routinely used as NHC transfer reagents in addition to finding applications as pharmaceutical species (Garrison & Youngs, 2005)
Summary
The study of N-heterocyclic carbene (NHC) complexes of the group 11 metals has proven fruitful for researchers active in this field. The remaining six CuII centres (Cu2, Cu3 and Cu4 and their symmetry clones) reside in distorted square-based pyramidal geometries Each of these metal ions is coordinated to a single N atom from each of two pz* ligands, to two 3-OH ligands and to a chloride. This short contact exists between an H atom of the unsaturated backbone of the imidazolium cation and a chloride ligand of a neighbouring anion and connects anions and cations by translation along the a-axis direction. The N1—C1—N2 bond angle of the heterocycle is 109.5 (3) compared to 108.6 for both of the previously reported structures
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