A new complex of magnesium with tetrazole-1-acetic acid (tza) has been synthesized and characterized by elemental analysis and FT-IR spectrum. Single-crystal X-ray diffraction analysis determined the molecular formula as Mg(tza)2(H2O)4 . The crystal belongs to the triclinic system with P1 space group, and a = 6.133(2), b = 6.488(2), c = 10.0127(7) , α = 77.282(10), β = 91.558(1), γ = 76.002(8)°, V = 349.0(2) 3 , Z = 1, C6H14MgN8O8 , Mr = 350.56, Dc = 1.668 g·cm -3 , F(000) = 182, μ = 0.189, S = 1.000, the final R = 0.0294 and wR = 0.0785 for 1128 observed reflections with I > 2σ(I). In this molecule, the tza ion exhibits an infrequent monodentate coordination mode. The magnesium center is hexa-coordinated to a slightly distorted octahedral configuration by six oxygen atoms from two tza ligands and four coordinated water molecules. DSC and TG-DTG analyses were applied to assess the thermal decomposition behavior. The kinetic parameters of the exothermal peak were calculated by non-isothermal reaction kinetics. The values of critical temperature of thermal explosion, ΔS ≠ , ΔH ≠ and ΔG ≠ , were obtained as 596 K, -42.25 J mol-1 K-1 , 296.43 kJ mol-1 and 323.53 kJ mol-1 , respectively.
