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We present a generalized approach toward the design of ion-pair ML3A helicates assembled by coordination of metal cations (M) and anions (A) by ditopic chelating ligands (L). This computational approach, based on de novo structure-based design principles implemented in the HostDesigner software, led to identification of synthetically accessible ditopic ligands that are structurally encoded to form charge-neutral ion-pair helicates with FeSO4 or LnPO4.
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Jia et al. (2014) studied this question.
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