EPR spectrum of GLX2-5. Trace A shows the spectrum of GLX2-5 recorded at 4.7 K. The inset shows an expanded view of the g ~ 1.9 region of the spectrum (B) and a theoretical spectrum (C). The theoretical spectrum was generated using the spin Hamiltonian H = βg1.B.S1 + S1.D1.S1 + βg2.B.S2 + S2.D2.S2 + J.S1.S2, where S1 = 5/2, g1(iso) = 2.0, D1 = 3 cm−1, E1 = 0, S2 = 1, g2(x,y,z) = 2.093, 2.192, 2.322, D2 = 10 cm−1, E = 0, and J = 50 cm−1. This scheme represents a strongly antiferromagnetically coupled Fe(III)-Fe(II) center. Trace D shows a composite simulation of the experimental EPR spectrum. The simulation has two components, one of which is that shown as Trace C, and another, the major component, corresponds to an isolated Fe(III) ion with H = βg.B.S + S.D.S, where g(iso) = 2.0, S = 5/2, D = 0.45 cm−1, E = 0.0855 cm−1 (E/D = 0.19), ΔD = 0.20 cm−1, and ΔE = 0.057 cm−1. An additional component with an isotropic g(eff) = 4.3 is present but was not included in the simulation.