Experimental and theoretical study of the spin ground state of the high-spin molecular cluster [NiII{NiII(CH3OH)3}8(μ-CN)30{WV(CN)3}6] · 15CH3OH by polarised neutron diffraction and density functional theory calculations

The ferromagnetic nature of the magnetic interactions in the cyano-bridged high-spin molecular cluster [NiII{NiII(CH3OH)3}8(μ-CN)30{WV(CN)3}6] · 15CH3OH has been investigated by a combination of neutron diffraction studies on single crystal and theoretical DFT calculations.