Table 2.

Pyridine chemical shifts (in ppm), for [Fe^IV(O)]²⁺ complexes at 233 K in CD₃CN. FWHM (in Hz) shown in parentheses.

[FeIV(O)(N2Py2Q)]2+ (S = 1 from experiment)				Complex 2 (S = 2 from experiment)
H	exp δ 233 K	calcd δ S = 1	calcd δ S = 2	H	exp δ 233 K	calcd δ S = 1	calcd δ S = 2
α	broad	−44	141	α	broad	−52	72
β	31 (100)	35	156	β	112 (280)	49	170
β'	−18 (180)	−19	72	β'	not found	−26	48
γ	7.4 (60)	10	−7.1	γ	−26 (180)	7.4	−32