Login / Signup

Tetra-kis(tri-ethyl-enediamin-1-ium) dodeca-μ 2 -chlorido-hexakis(thio-cyanato-κ N )hexa- octa-hedro -niobate.

Eric SperlichMartin Köckerling
Published in: IUCrData (2023)
The crystal structure of the cluster complex salt, (C 6 H 13 N 2 ) 4 [Nb 6 (NCS) 6 Cl 12 ] or (H-DABCO) 4 [Nb 6 Cl 12 (NCS) 6 ] (DABCO = tri-ethyl-enedi-amine or 1,4-di-aza-bicyclo-[2.2.2]octa-ne), comprises octa-hedral Nb 6 cluster cores, which are μ 2 -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.
Keyphrases
  • ionic liquid
  • molecular dynamics
  • cystic fibrosis
  • electron transfer