Data for Manuscript
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Data for manuscript "Cluster Anion Substitution Tunes Flexibility and Porosity of MIL-53(Sc)-fum Conformational Isomers Isolated by Solvent-Induced MOF-to-MOF Self-Assembly"

Journal of the American Chemical Society, 2026

DOI: 10.1021/jacs.6c06041.

Authors:

Catherine A. Walshe, Zachary H. Davis, Chi C. Hong, Thach N. Tu, Sanliang Ling, Claire Wilson, Joshua J. B. Levinsky, Claire L. Hobday, Sharon E. Ashbrook and Ross S. Forgan

Experimental data in Origin format, Bruker NMR format, CIF files for DFT models, and as tif files

Funded by EPSRC grant EP/X035859/1; Royal Society grants UF160394 and RGF\EA\180077; EU grants 787073 ADOR and 101198684 CrySpEd; UKRI grant MR/V026070/1.

CCDC 2539014, 2559244, and 2539011 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.

Data available

Solution and solid state NMR spectra, Thermogravimetric analysis, powder X-ray diffraction, nitrogen adsorption, SEM images, IR spectra, DFT models.