Data for Solvent Induced Structural Transformation of a Cerium (III) 2,5-Furandicarboxylate Metal-Organic Framework

The material is constructed using the sustainably sourced 2,5-furandicarboxylate (FDC) linker under solvothermal conditions in N,N-dimethylformamide (DMF) solvent and scalable to gram-scale production. Single-crystal analysis using 3D electron diffraction reveals a unique framework architecture, P21/n. space group, with composition [Ce4(FDC)7(DMF)2.36](DMA)2 that has a structure containing four cerium(III) sites that are connected via bridging FDC ligands to give a 3D extended anionic framework counterbalanced by occluded dimethylammonium (DMA) cations, formed via partial decomposition of DMF.

Upon exposure to water, UOW-11 undergoes a structural transformation, forming a second, structurally distinct Ce(III) MOF, [Ce2(FDC)2(H2O)10]FDC·6H2O, UOW-2(Ce), which crystallises in the triclinic space group P1 ̅. The asymmetric unit comprises two Ce³⁺ ions, coordinated by two FDC²⁻ ligands, ten water molecules, with one additional uncoordinated FDC²⁻ ligand, and six occluded water molecules. The transformation leads to significant changes in coordination geometry and composition, including the loss of DMA and a different Ce:FDC ratio, consistent with a dissolution–recrystallisation mechanism.