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. Fo − Fc difference peaks (black mesh) are depicted at the 2.5σ level (1σ = 0.063 e Å−3). |