Jia Yong-Yan, Chen Bo, Yuan Yu-Xia
Pharmacy College, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):m1150. doi: 10.1107/S1600536812034113. Epub 2012 Aug 4.
In the title complex, {[CaZn(C(10)H(2)O(8))(H(2)O)(2)]·H(2)O}(n), the Zn(II) ion is coordinated by four O atoms from four benzene-1,2,4,5-tetra-carboxyl-ate anions in a distorted tetra-hedral geometry. The Ca(II) ion is eight-coordinated by six O atoms from four benzene-1,2,4,5-tetra-carboxyl-ate anions and by two water mol-ecules in a distorted square-anti-prismatic geometry. The Ca(II) and Zn(II) ions and the lattice water mol-ecule are located on twofold rotation axes; the centroid of the benzene-1,2,4,5-tetra-carboxyl-ate anion is located on a centre of inversion. The μ(8)-bridging mode of the anion results in the formation of a three-dimensional structure with channels extending along [100] in which lattice water mol-ecules are situated. Inter-molecular O-H⋯O hydrogen bonds involving the coordinating and lattice water mol-ecules as donors and the carboxyl-ate O atoms and lattice water mol-ecules as acceptors are present in the structure.
在标题配合物{[CaZn(C₁₀H₂O₈)(H₂O)₂]·H₂O}ₙ中，Zn(II)离子由来自四个苯-1,2,4,5-四羧酸根阴离子的四个O原子以扭曲的四面体几何构型配位。Ca(II)离子由来自四个苯-1,2,4,5-四羧酸根阴离子的六个O原子和两个水分子以扭曲的四方反棱柱几何构型八配位。Ca(II)和Zn(II)离子以及晶格水分子位于二重旋转轴上；苯-1,2,4,5-四羧酸根阴离子的质心位于对称中心上。阴离子的μ(8)-桥连模式导致形成沿[100]方向延伸且其中含有晶格水分子的三维结构通道。结构中存在分子间O—H⋯O氢键，其中配位水分子和晶格水分子作为供体，羧酸根O原子和晶格水分子作为受体。
