and is comparable to the experimental result of 2.57 cm 3 K mol -1 . The axial anisotropy of the molar magnetic susceptibility ∆χ ax = χ z -(χ x + χ y ) /2 is very large in this complex and dominated by the anisotropic contribution from the ground KD (calculated to be ∆χ KD1 ax =23.44 * 10 -8 m 3 mol -1 ), and is due to the large ligand field splitting and consequent non-homogeneous population in the 4f orbitals.