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EPR spectra (red, gray in the print version) and simulations (black) of (A) [FeIIIH3buea(OH)]− in DMF/THF. (B–D) Simulations from transitions within the |±ms> doublets as listed. Experimental conditions: Microwaves 0.2 mW at 9.64 GHz; temperature 10 K. Simulation: S=5/2, g=(2.011, 2.009, 2.012), D=−2.4 cm−1, E/D=0.157, and σE/D=0.011.
