Table 2. Calculated bond lengths for select Tp^MeZn(MBI) coordination complexes using ωB97x-D/def2-TZVPP.

MBP	Zn–carboxylate (Å)	Zn–N (heteroarene, Å)
1	1.953	2.255
2	2.021	2.161
3	1.959	2.261
4	1.994	2.193
5	1.955	2.319
Benzoxazole-2-carboxylic acid	1.996	2.199

MBI	Zn–tetrazole (Å)	Zn–N (heteroarene, Å)
1c	1.948	2.784
2c	2.033	2.283
3c	1.951	2.706
4c	2.004	2.348
5c	1.953	2.959
Benzoxazole-2-tetrazole	1.985	2.496

MBI	Zn–oxadiazolone (Å)	Zn–N (heteroarene, Å)
1d	1.942	2.776
2d	2.004	2.391
3d	1.949	2.740
4d	1.976	2.491
5d	1.940	2.910
Benzoxazole-2-oxadiazolone	1.957	2.738