Tetra-kis(tri-ethyl-enediamin-1-ium) dodeca-μ2-chlorido-hexakis(thio-cyanato-κ N)hexa- octa-hedro-niobate

Abstract

The crystal structure of the cluster complex salt, (C₆H₁₃N₂)₄[Nb₆(NCS)₆Cl₁₂] or (H-DABCO)₄[Nb₆Cl₁₂(NCS)₆] (DABCO = tri-ethyl-enedi-amine or 1,4-di-aza-bicyclo-[2.2.2]octa-ne), comprises octa-hedral Nb₆ cluster cores, which are μ₂-coordinated by 12 chloride ligands (bridging the octa-hedral edges, inner ligand sphere). Furthermore, each Nb atom is N-bonded to a terminal thio-cyanate ligand (outer ligand sphere). The discrete clusters carry a charge of -4, which is compensated by four monoprotonated DABCO mol-ecules. These are arranged in rows, which are N-H⋯Cl and N-H⋯N hydrogen bonded to the anions and among each other.

Keywords: DABCO; chloride; cluster; crystal structure; niobium.