Synthesis and Crystal Structure of [Cu(phen)_2(SO_4)(H_2O)]·0.5C_4H_4O_4·7H_2O

作     者：王小琴 温一航 康遥 张健 程建开 李兆基 姚元根 

作者机构：State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter The Chinese Academy of Sciences Fuzhou Fujian 350002 China 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2006年第25卷第1期

页      面：17-20页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：ThisworkwasfinanciallysupportedbytheNNSFofChina (No.20173063) theStateKeyBasicResearchandDevelopmentPlanofChina(001CB108906)andtheNSFofFujianProvince(E0020001) 

主　　题：copper compound N-containing ligand hydrogen-bonding π-π interactions 

摘      要：The title compound, [Cu（phen）2（SO4）（H2O）]·0.5C4H4O4·7H2O （phen = 1,10-phe-nan throline and C4H4O4 = fumaric acid）, has been synthesized and characterized by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1^- with a = 11.4827（2）, b = 11.9086（2）, c = 13.77350（10） A, α = 80.6830（10）, β = 66.6480（10）, γ = 64.048000）°, V = 1554.63（4） A^3, Mr = 722.17, Z = 2, Dc = 1.543 g/cm^3,μ = 0.845 mm^-1, F（000） = 750, R = 0.0349 and wR = 0.0837 for 4754 observed reflections （1 〉 2σ（I））. The compound contains a six-coordinated copper（Ⅱ） center, which is surround by four N atoms of two phen ligands （Cu-N distances in the range of 1.997（2）- 2.225（2） A）, one sulfate O atom （Cu-O = 2.0037（17） A） and one water O atom （Cu-O（Sw） = 2.719（2） A,） in a distorted octahedral geometry. Extensive hydrogen-bonding interactions are involved in water molecules, ligated sulfate anions and fumaric acid molecules. In addition, π-π interactions via aromatic nitrogen-containing ligands are also discussed. The combination of non-covalent interactions leads to the formation of a 3-D network structure.