Data for Exploring the synthesis and coordination chemistry of pentafluorophenylcopper : organocopper polyanions and coordination networks

Here the synthesis of [Cu-C6F5]4 is explored in different solvents and followed by in-situ 19F NMR spectroscopy. The importance of solvent choice during the synthesis from Grignard reagent C6F5MgBr is highlighted, with a range of magnesium cuprate species identified and isolated when THF is used as solvent (rather than Et2O), including [Cu(C6F5)2]– and the remarkable organocopper polyanion ([Cu5(C6F5)7]2–)∞.

The coordination chemistry of [Cu-C6F5]4 with 1,4-dioxane is investigated in solution and in the solid state, with an extended coordination network, [Cu-C6F5]4(dioxane),structurally resolved for the first time. This structure reveals interwoven linear and zig-zag chains featuring dioxane donors unusually coordinating to adjacent Cu sites of some of the [Cu-C6F5]4 tetramers.<br><br>Data record consists of a zip archive and an accompanying readme file.