Preparation, Crystal Structure, and Thermal Decomposition of a Novel Nitrogen-rich Compound Zn3(ATZ)6(N3)6 (ATZ = 4-amino-1,2,4-triazole, N% = 61.7 %).

The green nitrogen-rich coordination compound Zn3(ATZ)6(N3)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 P21/ 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) nm3, Z = 4, Dc = 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. [ABSTRACT FROM AUTHOR]