Crystal structure and electronic properties of bis (2,2′-bipyridyl)formatocopper(II) tetrafluoroborate–water (2/1)

Abstract
The crystal structure of the title compound (1), has been determined by X-ray analysis. Compound (1) crystallises in the triclinic space group P with a= 7.570(2), b= 9.742(2), c= 14.994(2)Å, α= 100.376(4), β= 96.806(3), γ= 86.107(3)°, and Z= 2. The six-co-ordinate CuN4OO′ chromophore has a (4 + 1 + 1*) stereochemistry related to the regular cis-distorted octahedral stereochemistry by an in-plane twist towards a square-pyramidal CuN4O stereochemistry by the mechanistic pathway of the Berry twist. The single-crystal e.s.r. spectra of (1) and acetatobis (2,2′-bipyridyl) copper(II) perchlorate monohydrate, (2), are clearly rhombic and correlate with the square-pyramidal rather than the cis-distorted octahedral stereochemistry of the CuN4OO′ chromophore, when large Cu–O(2) distances are involved.

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