Table 2. Computed properties of selected bonds in compounds 4–7.

Metric	4 (Mg)	5 (Ca)	6 (ZnCl)	7 (ZnI)
U–Oexo bond length (Å)	1.941	1.925	1.944	1.949
Oexo–M bond length (Å)	1.940	2.324	1.918	1.924
U–Oexo bond order	1.642	1.750	1.704	1.699
Oexo–M bond order	0.643	0.540	0.599	0.599
ρ of U–Oexo bond	0.190	0.201	0.183	0.180
ρ of Oexo–M bond	0.050	0.036	0.090	0.089
Hirshfeld charge on U	0.450	0.455	0.439	0.438

EDA of U–O bond, eV	4 (Mg)	5 (Ca)	6 (ZnCl)	7 (ZnI)
Orbital interaction	–11.87	–13.56	–11.50	–11.30
Electrostatic interaction	–12.08	–13.23	–11.43	–11.29