Co-crystal structure, Hirshfeld surface analysis and DFT studies of 3,4-ethyl­ene­dioxy­thio­phene solvated bis­[1,3-bis­(penta­fluoro­phen­yl)propane-1,3-dionato]copper(II)

The title complex, Cu(L)(2) or [Cu(C(15)HF(10)O(2))(2)], comprised of one copper ion and two fully fluorinated ligands (L (−)), was crystallized with 3,4-ethyl­ene­dioxy­thio­phene (EDOT, C(6)H(6)O(2)S) as a guest mol­ecule to give in a di­chloro­methane solution a unique co-crystal, Cu(L)(2)·3C(6)H(6)O(2)S. In the crystal, the oxygen of one guest mol­ecule, EDOT-1, is coordinated to the metal to give an alternate linear arrangement, and the π-planes of the others, EDOT-2 and EDOT-3, inter­act weakly with the penta­fluoro­phenyl groups of the complex through arene–perfluoro­arene inter­actions. Head-to-tail columnar and head-to-head dimeric arrangements are observed for EDOT-2 and EDOT-3, respectively, in the crystal. The Hirshfeld surface analysis indicated that the most important contributions for the crystal packing are from the F⋯F (20.4%), F⋯H/H⋯F (24.5%) and F⋯C/C⋯F (9.6%) inter­actions. The density functional theory (DFT) optimized structure at the ωB97X-D 6–31G* level was compared with the experimentally determined mol­ecular structure in the solid state.