Pruchnik Florian P, Bańbuła Małgorzata, Ciunik Zbigniew, Chojnacki Henryk, Skop Barbara, Latocha Małgorzata, Wilczok Tadeusz
Faculty of Chemistry, University of Wrocław, Joliot-Curie 14, 50-383 Wrocław, Poland.
J Inorg Biochem. 2002 Jun 7;90(3-4):149-54. doi: 10.1016/s0162-0134(02)00424-5.
The structure of the tin(III) complex [Sn(2)(CH(2)CH(2)CN)(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.
已确定锡（III）配合物[Sn(2)(CH(2)CH(2)CN)(6)]的结构。晶体中有两个独立分子，二者均采用扭曲的重叠构象。已在半经验水平以及使用非经验性从头算方法研究了该化合物的分子结构和电子结构。计算得到的Sn - Sn距离与晶体学测定值吻合良好。计算结果表明，与交错构象相比，该配合物的重叠构象更稳定。该化合物对A549和HSMC细胞显示出适度的细胞毒性活性。
