二水合双（μ-2,3,4,5-四氟苯甲酸根-κ(2) O:O'）双[（1,10-菲咯啉-κ(2) N:N'）（2,3,4,5-四氟苯甲酸根-κO）铜（II）]的晶体结构
Crystal structure of bis-(μ-2,3,4,5-tetra-fluoro-benzoato-κ(2) O:O')bis-[(1,10-phen-anthroline-κ(2) N:N')(2,3,4,5-tetra-fluoro-benzoato-κO)copper(II)] dihydrate.
作者信息
Sun Junshan
机构信息
Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials, Department of Chemistry, University of Science and Technology Beijing, Beijing 100083, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 11;70(Pt 11):m365-6. doi: 10.1107/S1600536814022065. eCollection 2014 Nov 1.
In the title compound, [Cu2(C7HF4O2)4(C12H8N2)2]·2H2O, the Cu(II) ion has a square-pyramidal coordination sphere. The basal plane consists of two N atoms [Cu-N = 2.008 (3) and 2.032 (3) Å] from the phenanthroline ligand, and of two carboxyl-ate O atoms [Cu-O = 1.942 (3) and 1.948 (3) Å] from two 2,3,4,5-tetra-fluoro-benzoate anions. Another 2,3,4,5-tetra-fluoro-benzoate anion provides the apical carboxyl-ate O atom [Cu-O = 2.262 (3) Å] and bridges two Cu(II) ions into a binuclear centrosymmetric dimer. Intra-molecular π-π inter-actions between one of the tetra-fluoro-benzene rings and the middle of the phenenanthroline rings [3.617 (3) Å] stabilize the mol-ecular configuration. O-H⋯O hydrogen bonds between the lattice water mol-ecules and the unbound carboxyl-ate O atoms of the metal complexes leads to the formation of a chain structure parallel to [100].
在标题化合物[Cu2(C7HF4O2)4(C12H8N2)2]·2H2O中，Cu(II)离子具有一个四方锥配位环境。基面由来自菲咯啉配体的两个N原子[Cu-N = 2.008 (3) 和2.032 (3) Å]以及来自两个2,3,4,5-四氟苯甲酸根阴离子的两个羧酸根O原子[Cu-O = 1.942 (3) 和1.948 (3) Å]组成。另一个2,3,4,5-四氟苯甲酸根阴离子提供顶端羧酸根O原子[Cu-O = 2.262 (3) Å]，并将两个Cu(II)离子桥联成一个双核中心对称二聚体。一个四氟苯环与菲咯啉环中间之间的分子内π-π相互作用[3.617 (3) Å]稳定了分子构型。晶格水分子与金属配合物未配位的羧酸根O原子之间的O-H⋯O氢键导致形成平行于[100]的链状结构。
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