Author

Romy Ettlinger

2 papers indexed here

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Open access Sep 2026

Solvent-free thallium(I) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate: crystal structure, supramolecular interactions and anisotropic thermal expansion

The solvent-free structure of the thallium(I) salt of the weakly coordinating anion tetrakis[3,5-bis(trifluoromethyl)phenyl]borate, Tl[BC32H12F24], exhibits short Tl⋯F contacts and a supramolecular architecture governed by C—H⋯F hydrogen bonds and weak F⋯F and C—F⋯π interactions. Disorder and tilting of the arene rings...

Johannes Stephan, Lena Schröck, E. E. Petersen et al. · Acta Crystallographica Secti... · 0 citations

Open access Jul 2026

Data-driven transfer learning across MOF-derived zirconia polymorphs

Despite extensive investigation of metal-organic framework (MOF) derived materials over the last 20 years, no systematic approach to predict the structural properties of the derived metal oxides is available. We present an integrated machine learning (ML) approach leveraging Smooth Overlap of Atomic Positions (SOAP) an...

David Gryc, I. Kouroudis, Pritam Banerjee et al. · npj Computational Materials · 1 citation