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A Novel Water-Rich Mononuclear Copper(II) Complex with Pyridine-2,4-Dicarboxylate: Synthesis and Crystal Structure

机译:一种新型的带有2,4-吡啶二吡啶的富水单核铜(II)配合物:合成和晶体结构

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摘要

A new monomolecular copper(II) complex, [Cu(Phen)2(Pda)] · 9H2O (I) (H2Pda = pyridine-2,4-dicarboxylate acid, Phen = 1,10-phenanthroLine), has been prepared from H2Pda and Phen at room temperature and characterized by IR, elemental analysis, X-ray powder diffraction, and single-crystal X-ray diffraction. Structure analysis shows that each Cu(II) is coordinated by two Phen ligands and one Pda ligand to complete a octahedron CuN5O cliromophore. In addition, a unique water networks paralleling to (001) composed by the crystallization water through hydrogen bonds play a important role in the stability of crystal structure. The crystal structure is found to be orthorombic with space group Pbcn and cell parameters a = 13.651 (4), b = 22.516(7), c = 22.386(7) A, R1 = 0.0735 and wR2 = 0. 0.1935.
机译:由H2Pda制备了一种新的单分子铜(II)配合物[Cu(Phen)2(Pda)]·9H2O(I)(H2Pda =吡啶-2,4-二羧酸吡啶,Phen = 1,10-菲咯啉)和苯在室温下,通过IR,元素分析,X射线粉末衍射和单晶X射线衍射进行表征。结构分析表明,每个Cu(II)由两个Phen配体和一个Pda配体配位,以完成一个八面体CuN5O发色团。另外,平行于(001)的独特水网络由结晶水通过氢键组成,在晶体结构的稳定性中起重要作用。发现该晶体结构是具有空间群Pbcn的正交晶体,晶胞参数a = 13.651(4),b = 22.516(7),c = 22.386(7)A,R1 = 0.0735和wR2 = 0. 0.1935。

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