Cai Zhan-Mao, Zhan Shu-Zhong
College of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m956. doi: 10.1107/S1600536812026967. Epub 2012 Jun 20.
The title compound, Fe(C(12)H(8)N(2))(3)(2), consists of one Fe(phen)(3) cation (phen = 1,10-phenanthroline) and two 1,1-dicyano-2-eth-oxy-2-oxoethanide anions. Five atoms of the anion are disordered over two positions [site occupancy = 0.521 (13) for the major component]. In the complex cation, the Fe(II) atom is coordinated by six N atoms from three phen ligands in a distorted octa-hedral geometry. Two intra-molecular C-H⋯N hydrogen bonds occur in the complex cation. The crystal structure is mainly stabilized by Coulombic inter-actions. Weak intermolecular C-H⋯N inter-actions are also observed.
标题化合物Fe(C₁₂H₈N₂)₃₂由一个[Fe(phen)₃]²⁺阳离子（phen = 1,10 - 菲咯啉）和两个1,1 - 二氰基 - 2 - 乙氧基 - 2 - 氧代乙烷阴离子组成。阴离子的五个原子在两个位置上无序分布[主要组分的占位因子 = 0.521 (13)]。在络合阳离子中，Fe(II)原子由来自三个phen配体的六个N原子以扭曲的八面体几何构型配位。络合阳离子中存在两个分子内C—H⋯N氢键。晶体结构主要通过库仑相互作用得以稳定。还观察到弱的分子间C—H⋯N相互作用。
