Structure,properties and in vitro cytotoxic activity of hexakis(2-cyanoethyl)ditin(III)

The structure of the tin(III) complex [Sn₂(CH₂CH₂CN)₆] has been determined. There are two independent molecules in the crystal, both adopt distorted eclipsed conformation. The molecular and electronic structures of this compound have been studied both at the semiempirical level and with the use of non-empirical ab initio methods. The calculated Sn–Sn distances agree well with those found crystallographically. The results of calculations showed that the eclipsed conformation of complex is more stable as compared with staggered conformation. The compound show modest cytotoxic activity against A549 and HSMC cells.