Hydronium Copper(II)-tris(5-nitrotetrazolate) Trihydrate - A Primary Explosive

The long-time elusive structure of the acid copper(II) salt intermediate in the production of DBX-1 is presented. The single-crystal X-ray shows infinite chains of copper(II) ions complexed by six 5-nitrotetrazolate anions are aligned along the sixfold axis. Hydronium ions are located on the threefold axis with additional neutral water molecules.