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. Author manuscript; available in PMC: 2019 Dec 7.
Published in final edited form as: ACS Catal. 2018 Nov 1;8(12):11704–11715. doi: 10.1021/acscatal.8b03051

Figure 9.

Figure 9.

DFT structure of the diiron site in FDPdiNO (5diNO of Table S4). Except for the H of the hydroxo bridge, hydrogen atoms have been omitted for clarity. Dashed line indicates the close ON•••NO contact. Color code: C, gray; Fe, gray-blue; H, white; N, blue; O, red.