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. Author manuscript; available in PMC: 2019 Dec 5.
Published in final edited form as: J Am Chem Soc. 2018 Nov 16;140(48):16807–16820. doi: 10.1021/jacs.8b10313

Table 2.

HERFD-EXAFS Fit Results of MMOHox and MMOHred in complex with MMOB

MMOHox
N Scattering Path R (Å) +/– σ2 (×10−3 Å2) +/–
5 Fe-O/N 2.057 0.010 12.6 1.0
1 Fe-O/N 2.480 0.036 9.9 5.7
1 Fe-Fe 3.056 0.011 1.3 0.9
3 Fe-C 3.304 0.031 4.9 4.1
ΔE0 = + 2.51 eV
MMOHred
N Scattering Path R (Å) +/– σ2 (×10−3 Å2) +/–
4 Fe-O/N 2.044 0.015 10.3 1.1
1 Fe-O/N 2.538 0.022 2.6 2.6
1 Fe-Fe 3.270 0.026 8.4 2.5
3 Fe-C 2.989 0.051 20.0 8.0
ΔE0 = – 6.63 eV