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Single crystal X-ray diffraction shows that Zr(IV) forms an octa-coordinated complex with 4 bidentate hydroxamates whose solution structures were investigated by utilizing density functional theory at the level of B3LYP/DGDZVP. Stability constants obtained by potentiometry were in accordance with the tendency observed when radiolabeling with 89Zr.

Graphical abstract: Investigation of Zr(iv) and 89Zr(iv) complexation with hydroxamates : progress towards designing a better chelator than desferrioxamine B for immuno-PET imaging

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