Table 1. Percentage-wise Orbital Decomposition of the Occupied Fe 3d Orbitals Yielding Changes in π-Backdonation and π-Bonding between the Gas Phase and the Reduced Solvation Model^a.

	occ. Fe 3d				occ. CN–(σ)
	Fe(t2g)	CN–(π*)	CN–(π)	bpy(π*)	Fe(eg)
gas phase	74.4	4.2	11.0	6.3	10.8
solvated	78.4	5.7	7.5	3.2	5.2

^aChanges in σ-donation are presented as the Fe e_g-contribution to a set of CN^– orbitals of dominantly σ-character.