(a) Solid state molecular structure of 3 with thermal ellipsoids at the 35% probability level. Positional disorder, solvent molecules, and H atoms are removed for clarity. Color scheme: Fe, orange; N, blue; C, gray. (b) Selected bond metrics (Å) for iminyl 2 in red and imido 3 in black. Mulliken spin density plots (α–β) and values calculated for 3 (c) and 2 (d).