• cluster compounds;
  • coordination chemistry;
  • density functional calculations;
  • magnetic properties;
  • nickel


A series of nickel complexes with nuclearity ranging from Ni3 to Ni6 have been obtained by treatment of a variety of nickel salts with the 2-pyridylcyanoxime ligand. The reported compounds have as a common structural feature the triangular arrangement of nickel cations bridged by a central μ3-oxo/alkoxo ligand. These compounds are simultaneously the first nickel derivatives of the 2-pyridylcyanoxime ligand and the first examples of isolated, μ3-O triangular pyridyloximate nickel complexes. Magnetic measurements reveal antiferromagnetic interactions promoted by the μ3-O and oximato superexchange pathways and comparison of the experimental structural and magnetic data with DFT calculations give an in-depth explanation of the factors that determine the magnetic interaction in this kind of system.