Synthesis and Crystal Structure of a New Iron Complex with Cyclic Water Hexamers [Fe(CDTA)(H_2O)]·[Fe(1,10-phen)_3]·10H_2O·2OH  

作　　者：翟君 徐立 

机构地区：[1]State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences [2]Graduate School of the Chinese Academy of Sciences

出　　处：《Chinese Journal of Structural Chemistry》2012年第2期255-261,共7页结构化学（英文）

基　　金：supported by Knowledge Innovation Program (No. KJCX2-EW-H01);the Chinese Academy of Sciences and National Natural Science Foundation of China (No. 21073190)

摘　　要：The title complex [Fe（CDTA）（H2O）]·[Fe（1,10-phen）3]·10H2O·2OH （CDTA = transcyclohexane-1,2-diamine-N,N,N,N′-tetraacetate） has been prepared and characterized by single-crystal X-ray diffraction analysis. The crystal adopts space group P with a = 12.793（4）, b = 14.104（5）, c = 17.880（5）, V = 2792.2（1）3, Dc = 1.459 g/cm3, C50H66Fe2N8O21, Mr = 1226.81, F（000） = 1284, μ = 0.604 mm-1, Z = 2, R = 0.1055 and wR = 0.2581 for 8675 observed reflections （I 〉 2σ（I））. X-ray crystallography analysis exhibits that the title compound consists of two crystallographically independent molecules [Fe（CDTA）（H2O）] and [Fe（1,10-phen）3], and they are connected through O-H···O hydrogen bonds and π···π stacking interactions forming a 3D supramolecular structure. Interestingly, there is a cyclic water hexamer with chair conformation in this complex.The title complex [Fe（CDTA）（H2O）]·[Fe（1,10-phen）3]·10H2O·2OH （CDTA = transcyclohexane-1,2-diamine-N,N,N,N′-tetraacetate） has been prepared and characterized by single-crystal X-ray diffraction analysis. The crystal adopts space group P with a = 12.793（4）, b = 14.104（5）, c = 17.880（5）, V = 2792.2（1）3, Dc = 1.459 g/cm3, C50H66Fe2N8O21, Mr = 1226.81, F（000） = 1284, μ = 0.604 mm-1, Z = 2, R = 0.1055 and wR = 0.2581 for 8675 observed reflections （I 〉 2σ（I））. X-ray crystallography analysis exhibits that the title compound consists of two crystallographically independent molecules [Fe（CDTA）（H2O）] and [Fe（1,10-phen）3], and they are connected through O-H···O hydrogen bonds and π···π stacking interactions forming a 3D supramolecular structure. Interestingly, there is a cyclic water hexamer with chair conformation in this complex.

关 键 词：iron MIXED-LIGANDS crystal structure hydrogen bonds 

分 类 号：O627.8[理学—有机化学]