Fang Wei
School of Chemical Engineering & Technology, Harbin Institute of Technology, Harbin 150001, People's Republic of China, and Department of Chemistry, Baicheng Normal University, Baicheng 137000, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 13;66(Pt 12):m1572-3. doi: 10.1107/S1600536810045551.
In the title compound, [Cd(C(8)H(4)O(4))(C(11)H(6)N(2)O)(H(2)O)(3)]·5H(2)O, the Cd(II) atom is seven-coordinated by two N atoms from one bidentate phenanthroline-derived ligand and by five O atoms, two from one bidentate benzene-1,3-dicarboxyl-ate (1,3-BDC) ligand and three from water mol-ecules, in a distorted penta-gonal-bipyramidal geometry. Neighbouring units inter-act through π-π inter-actions [centroid-centroid distances = 3.380 (3) and 3.283 (4) Å]. Finally, three types of O-H⋯O hydrogen bonds exist between coordinated dissociative water mol-ecules and hybridization water mol-ecules and carboxyl-ate O atoms, resulting in a two-dimensional network parallel to (010).
在标题化合物[Cd(C₈H₄O₄)(C₁₁H₆N₂O)(H₂O)₃]·5H₂O中，Cd(II)原子由来自一个双齿菲咯啉衍生配体的两个N原子以及五个O原子配位，其中两个O原子来自一个双齿苯-1,3-二羧酸酯(1,3-BDC)配体，三个O原子来自水分子，呈扭曲的五角双锥几何构型。相邻单元通过π-π相互作用[质心-质心距离 = 3.380(3) 和3.283(4) Å]相互作用。最后，在配位解离水分子与杂化水分子和羧酸根O原子之间存在三种类型的O-H⋯O氢键，形成了一个平行于(010)的二维网络。
