Synthesis, Crystal and Electronic Structure of [K[18]crown‐6)] 2 [Sn 2 Bi 2 ]

Extraction of an alloy of the nominal composition “KSnBi” by an [18]crown‐6 melt, and subsequent by 1,2‐diaminoethane ( en ) resulted in the formation of a new ternary Zintl salt [K([18]crown‐6)] 2 [Sn 2 Bi 2 ] ( 1 ) comprising the known binary anion [Sn 2 Bi 2 ] 2– . Herein we report synthesis and structure of 1 , along with a density functional (DFT) study of the anion. The crystal structure of 1 was solved and refined in the cubic space group F 23 (no. 196). Unit cell dimensions at 100 K: a = 20.8776(15) Å, V = 9100.0(11) Å 3 [ R (int) = 0.0467], final R values R 1 = 0.0521, [ I > 2σ( I )], wR 2 = 0.0915 (all data).