. 2022 Feb 18;7(8):6627–6639. doi: 10.1021/acsomega.1c05961

Table 3. Bond and Angle of Cyclo-N₅^–; Free Energy, Binding Energy (BE), and Lattice Energy (LE) for Na-cyclo-N₅^– and Mg-cyclo-N₅^–

	d_N–N (Å)	a_N–N–N (c)	free energy (kcal·mol^–1)	BE (kcal·mol^–1)	LE (kcal·mol^–1)
Na-cyclo-N₅^–	1.31∼1.33	107.89∼108.25	–254,738.6	–125.2	186.7
Mg-cyclo-N₅^–	1.31∼1.32	107.88∼108.20	–172,266.4	–138.0	244.2

Table 3. Bond and Angle of Cyclo-N5–; Free Energy, Binding Energy (BE), and Lattice Energy (LE) for Na-cyclo-N5– and Mg-cyclo-N5–