Molecular properties of a bis(1,1-diphenylallenylidene)-octacarbonyltriiron complex obtained by symmetric cleavage from 1,1,6,6-tetraphenylhexapentaene. Idealized symmetry studied in synperiplanar and synclinal conformers by X-ray diffraction, NMR and den

Molecular deviations from symmetry of bis(1,1-diphenylallenylidene)-octacarbonyltriiron are compared in two distinct synperiplanar and synclinal conformers expressed as two polymorphic forms by the analysis of close contacts in crystals, quantum chemical DFT calculations for the isolated molecules and by 13C-NMR in solution.