Dataset for Low Symmetry Face-capped Fe(II) Tetrahedra Through Anisotropic Ligand Extension
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Supporting dataset for: “Low Symmetry Face-capped Fe(II) Tetrahedra Through Anisotropic Ligand Extension", Jack D. Evans and coworkers, 2025 Contains (in a zipped directory): XYZ: structure files of the cages T123(A) and T123(B) input, output and datafiles: All Orca DFT simulations for optimisations and energy calculations for the cages and ligands
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Zenodo创建时间：
2025-02-11
