Structure of tetrakis(imidazole)copper(II) diiodide

Electron belt-to-σ-hole switch of noncovalently bound iodine(i) atoms in dithiocarbamate metal complexes

“…Although the Cu II ⋯I distance is slightly longer than Σ vdW , the existence of the Cu⋯I-C interaction in 1•2FIB, attributed to semicoordination, was confirmed by appropriate theoretical calculations (section 3) and also supported by the literature data. Indeed, copper(II)⋯iodine semicoordinative contacts shorter than Σ vdW (3.38 Å) are common, [71][72][73][74][75][76][77] but examples of Cu II ⋯I contacts longer than Σ vdW are also not unusual 73,74,[78][79][80][81][82][83][84] (for further details see also the ESI †).…”