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. Author manuscript; available in PMC: 2024 Dec 18.
Published in final edited form as: Inorg Chem. 2023 Feb 1;62(50):20567–20581. doi: 10.1021/acs.inorgchem.2c03931

Table 1.

Average bond lengths and angles for Sc-HOPO and Sc-HOPOH. <RSc-o> average Sc and O bond length, ROH is the distance between the H in the protonated hydroxypyridinonate and the O in the adjacent unprotonated hydroxypyridinonate, AO-H…H is the angle between the OH in the protonated hydroxypyridinonate and O in the adjacent unprotonated hydroxypyridinonate

System <RSc-O> (Å) RO-H (Å) AO-H…H (Degrees)
8-coordinate Complex A 2.25(2)
7-coordinate Complex B 2.19(2) 3.02 20°
7-coordinate Complex C 2.19(2) 1.96 15°