Unexpected structural motifs in diamine coordination compounds with allyllithiumElectronic supplementary information (ESI) available: Synthetic procedures, crystallographic data and quantum chemical calculations. CCDC 905051-905053 (5-7). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c3cc48873j

New diamine coordination compounds with phenyllithium and allyllithium are presented. One of them is the first diamine complex containing two different, simple organolithium reagents. The formation of this unexpected compound is explained using quantum chemical calculations. New diamine coordination compounds with phenyllithium and allyllithium are presented.