Hu Hongping
College of Science, North University of China, Taiyuan, Shanxi. 030051, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 17;65(Pt 1):m90. doi: 10.1107/S1600536808041913.
The title compound, Cd(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O), is a new coordination polymer of benzene-1,4-dicarboxyl-ate with cadmium(II) and 1,10-phenanthroline. The Cd(II) ion is coordinated by two N atoms from the 1,10-phenanthroline mol-ecule, three O atoms from two crystallographically independent benzene-1,4-dicarboxyl-ate ligands and the O atom of a coordinated water mol-ecule, forming a heavily distorted octa-hedron. The 1,10-phenanthroline ligand is approximately planar within 0.073 (4) Å. The two different benzene-1,4-dicarboxyl-ate ligands each coordinate to two Cd(II) ions in bidentate and monodentate modes, forming an infinite zigzag chain. Adjacent chains are packed tightly by strong π-π inter-actions [centroid-centroid distances = 3.851 (2) and 3.859 (2) Å] between the aromatic rings of the benzene-1,4-dicarboxyl-ate ligand and the 1,10-phenanthroline of a neighboring chain, forming a sheet parallel to (011). Different sheets are linked together via O-H⋯O hydrogen bonds between the coordinated water mol-ecules and the O atoms of the carboxyl-ate groups, forming a three-dimensional network.
标题化合物[Cd(C₈H₄O₄)(C₁₂H₈N₂)(H₂O)]ₙ是一种由苯-1,4-二羧酸根与镉(II)和1,10-菲咯啉形成的新型配位聚合物。Cd(II)离子由1,10-菲咯啉分子中的两个N原子、两个晶体学独立的苯-1,4-二羧酸根配体中的三个O原子以及一个配位水分子的O原子配位，形成一个严重扭曲的八面体。1,10-菲咯啉配体在0.073 (4) Å范围内近似平面。两种不同的苯-1,4-二羧酸根配体分别以双齿和单齿模式与两个Cd(II)离子配位，形成一条无限的锯齿链。相邻的链通过苯-1,4-二羧酸根配体的芳环与相邻链的1,10-菲咯啉之间的强π-π相互作用[质心-质心距离 = 3.851 (2) 和3.859 (2) Å]紧密堆积，形成平行于(011)的片层。不同的片层通过配位水分子与羧酸根基团的O原子之间的O-H⋯O氢键连接在一起，形成三维网络。
