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Figure 3
Evaluation of the most accurate bond length of the peroxide ligand (red stick) at the O2-reduction center. Structure refinement was carried out with a fixed bond length, which was varied from 1.45 to 1.70 Å in steps of 0.05 Å. Panels (a), (b), (c), (d), (e) and (f) correspond to the fixed bond lengths of 1.45, 1.50, 1.55, 1.60, 1.65 and 1.70 Å, respectively. FoFc difference peaks (black mesh) are depicted at the 2.5σ level (1σ = 0.063 e Å−3).

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