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. 2020 Jun 12;5(24):14308–14315. doi: 10.1021/acsomega.0c00556

Table 1. Selected Bond Lengths of the Optimized Structures (in Solvent) for Fe2+ (H2O)6 and Fe3+ (H2O) 6.

bond length (Å) Fe2+ Fe3+
Fe–O2 2.129 2.017
Fe–O5 2.152 2.018
Fe–O8 2.129 2.017
Fe–O11 2.153 2.018
Fe–O14 2.146 2.016
Fe–O17 2.146 2.016