双2-乙酰基二茂铁合汞的合成及其晶体结构

Synthesis and crystal structure of bis(2-acetylferrocenyl)mercury

标题化合物(C24H22Fe2HgO2)3是由2 氯汞基 1 乙酰基二茂铁与乙二胺反应得到的,其结构通过单晶X 射线衍射法确定。其晶体属三斜晶系,P 1空间群,Mr=1964 12,a=10 193(2),b=11 504(2),c=14 413(3) ,α=92 21(3),β=104 12(3),γ=102 67(3)°,V=1591 55(5) 3,Z=1,Dc=2 049mg/cm3,μ=8 583mm-1,F(000)=942,最终偏离因子为R=0 0859,wR=0 2617。该晶体中同时含有meso型及dl型分子,各分子中Hg原子的配位情况不一样。meso分子中的两个二茂铁是相互平行的,而另两分子dl型的二茂铁是相互垂直的。Hg原子以桥联形式连接两个二茂铁部分。meso型与dl型分子通过Hg O弱配位作用相连。

The title compound was synthesized in high yield by treatment of 1acetyl2chloromercuriferrocene with diaminoethane.Its structure was determined by singlecrystal Xray diffraction.The crystal was triclinic,space group P1 with a=10193(2),b=11504(2),c=14413(3)?,α=9221(3),β=10412(3),γ=10267(3)°,V=159155(5)?3,Z=1,Dc=2049mg/cm3,μ=8583mm-1,F(000)=942.The structure was solved by direct methods and refined by fullmatrix least squaresmethod to the final R=00859,wR=02617.Xray analysis revealed that all the Cp rings were parallel to each other,and HgC bond lengths and CHgC bond angles were standard in the meso molecule,but the Cp rings were perpendicular to each other,and the HgC bond lengths and CHgC bond angles were not the same in the dl molecule.The geometric structures of the two Hg atoms in meso or dl molecules were very different.The two type molecules were linked weakly by the HgO coordination.