Crystal_structure_miningInteresting ChemistryAmerican Chemical SocietyBristol UniversityChemical & Engineering NewsChemical Sciences

Molecule of the year (month/week)?

https://doi.org/10.59350/4wwte-aap21
Published in Henry Rzepa's Blog

Chemical and engineering news (C&EN) is asking people to vote for their molecule of the year from six highlighted candidates. This reminded me of the history of internet-based “ molecules of the moment ”. It is thought that the concept originated in December 1995 here at Imperial and in January 1996 at Bristol University by Paul May and we were joined by Karl Harrison at Oxford shortly thereafter.

References

Condensed Matter PhysicsGeneral Materials ScienceGeneral Chemistry

Crystal structure of cyclic tris(ferrocene-1,1′-diyl)

https://doi.org/10.1107/s1600536814017346
Published in Acta Crystallographica Section E Structure Reports Online
Authors Ruslan Shekurov, Vasili Miluykov, Olga Kataeva, Artem Tufatullin, Oleg Sinyashin

The molecular structure of the trinuclear title compound, [Fe3(C10H8)3] {systematic name: tris[μ-(η5:η5)-1,1′-bicyclopentadienyl]triiron(II)}, consists of three ferrocene subunits (each with an eclipsed conformation) that are condensedviaC—C bonds of the fulvalene moieties into a cyclic trimer. The angles between the planes of the cyclopentadienyl (Cp) rings within the three fulvalene moieties are 76.1 (3), 80.9 (3) and 81.7 (3)°. In the crystal, C—H...π interactions between neighbouring molecules lead to the cohesion of the structure.