Crystal Structures of Energetic Compounds. I. Safe Small-Scale Preparation and X-Ray Structure Determination of the High-Energy Cobalt(III) Complex [Co(NH3)5N3](N3)2

Abstract

Well-formed dark red single-crystals of the potentially explosive cobalt(III) azido complex [Co(NH3)5N3](N3)2 (nitrogen content: 72.59%) have been grown using a safe small-scale preparation from [Co(NH3)5N3]Cl2 and sodium azide. The complex crystallizes in the orthorhombic system, space group Pnma with unit cell parameters a = 12.921(3) A, b = 10.346(2) A, c = 8.0315(16) A, V = 1,073.7(4) A3 and Z = 4. Five NH3 ligands and the azide anion surround the Co3+ ion in a nearly perfect octahedral geometry. Two azide anions are non-coordinating, and no water of crystallization is present in the crystal structure. Well-formed dark red single-crystals of the potentially explosive cobalt(III) azido complex [Co(NH3)5N3](N3)2 (nitrogen content: 72.59%) have been grown using a safe small-scale preparation from [Co(NH3)5N3]Cl2 and sodium azide. Five NH3 ligands and the azide anion surround the Co3+ ion in a nearly perfect octahedral geometry. Two azide anions are non-coordinating, and no water of crystallization is present in the crystal structure.