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Selected bond lengths (μM-Oeq, M-Nax, in Å) and dihedral and endocyclic metal angles (in °) of the optimized unbound metal-complexes with tetradentate coordination.

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Figshare2024-10-07 更新2026-04-28 收录
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Relative tridentate-tetradentate energies (ΔEtri/tetra) are also included, with positive values (in kcal∙mol-1) indicating a preference for a tetradentate coordination and vice versa.

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2024-10-07
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