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. Author manuscript; available in PMC: 2020 Feb 10.
Published in final edited form as: J Am Chem Soc. 2020 Jan 16;142(4):1911–1924. doi: 10.1021/jacs.9b11093

Table 1.

Different Sets of Mössbauer Parameters for Simulation of the Zero-Field Reference Spectrum of the [3Fe-4S]0-Like Cluster

solution 1 solution 2 solution 3 solution 4 solution 5 solution 6
site δ (mm/s) ΔEQ (mm/s) δ (mm/s) ΔEQ (mm/s) δ (mm/s) ΔEQ (mm/s) δ (mm/s) ΔEQ (mm/s) δ (mm/s) ΔEQ (mm/s) δ (mm/s) ΔEQ (mm/s)
1 0.31 0.58 0.31 0.58 0.34 0.51 0.34 0.51 0.22 0.75 0.22 0.75
2 0.35 1.02 0.47 1.28 0.35 1.02 0.44 1.28 0.44 0.84 0.47 1.11
3 0.61 1.04 0.48 0.78 0.57 1.11 0.48 0.84 0.61 1.04 0.57 0.78