Preparation, Crystal Structure, and Thermal Decomposition of a Novel Nitrogen‐rich Compound Zn 3 (ATZ) 6 (N 3 ) 6 (ATZ = 4‐amino‐1,2,4‐triazole, N% = 61.7 %)

The green nitrogen‐rich coordination compound Zn 3 (ATZ) 6 (N 3 ) 6 ( 1 ) (ATZ = 4‐amino‐1,2,4‐triazole) was prepared and characterized by elemental analysis, IR spectroscopy, DSC and TG/DTG analyses. Its crystal structure was determined through X‐ray single crystal diffraction at 153(2) K. The crystal belongs to the monoclinic P 2 1 / n space group with crystal parameters of the unit cell dimensions: a = 0.9187(3) nm, b = 1.4109(4) nm, c = 1.3395(4) nm, β = 92.593(4)°, V = 1.7345(8) nm 3 , Z = 4, D c = 1.824 g · cm –3 . The kinetic parameters of the first exothermic process of 1 were studied by the Kissinger's method and Ozawa‐Doyle's method. Sensitivity tests revealed that 1 is insensitive to mechanical stimuli.