Fig. 9. DFT-optimized geometries of [CoIII(prdioxH)(4tBupy)(Cl)]+, [CoII(prdioxH)(4tBupy)(Cl)], and [CoII(prdioxH)(4tBupy)]+. The metal center is displaced by 0.15 Å off of the plane of the macrocyclic oxime ligand in [CoII(prdioxH)(4tBupy)]+.
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