Archive for December 29th, 2023

Molecules of the year 2023 – part 2. A FAIR data comment on a Strontium Metallocene.

Friday, December 29th, 2023

I will approach this example of a molecule-of-the-year candidate – in fact the eventual winner in the reader poll – from the point of view of data. Its a metallocene arranged in the form of a ring comprising 18 sub-units.[1] Big enough to deserve a 3D model rather than the static images you almost invariably get in journals (and C&EN). So how does one go to the journal and acquire the coordinates for such a model?

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References

  1. L. Münzfeld, S. Gillhuber, A. Hauser, S. Lebedkin, P. Hädinger, N.D. Knöfel, C. Zovko, M.T. Gamer, F. Weigend, M.M. Kappes, and P.W. Roesky, "Synthesis and properties of cyclic sandwich compounds", Nature, vol. 620, pp. 92-96, 2023. https://doi.org/10.1038/s41586-023-06192-4