A Facially Capped Body‐Centered Ni₉W₆ Cubane Modified with Sulfur‐Containing Bidentate Ligands: Structure and Magnetic Properties

Abstract

Abstract A fully capped body‐centered cubane cluster [Ni 9 (btz) 8 (MeOH) 8 {W(CN) 8 } 6 ] · 18H 2 O · 6MeOH ( 1 ) [btz = 2,2′‐bi(4,5‐dihydrothiazine)], whose periphery was modified with sulfur‐containing bidentate ligands acting as potential anchoring sites to electrodes and substrates, was prepared. The geometric analyses around the W atoms revealed that W1 adopts a distorted dodecahedron, while the other W atoms are closer to a square‐antiprism geometry than a dodecahedron. The magnetic studies of 1 reveal that ferromagnetic couplings are operative through CN bridges, generating an S = 12 ground state. It appears that magnetic anisotropy of a molecule is venerable to subtle structural variations. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)