Ma Chao-Hong, Liu Qiang, Wang Xiu-Yan, Dong Xian-Wu, Li Yu-Jie
Jilin Agricultural Science and Technology College, Jilin 132101, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):m103-4. doi: 10.1107/S1600536811055358. Epub 2012 Jan 7.
In the title compound, {[Zn(2)(C(9)H(3)O(6))(OH)(H(2)O)]·0.5H(2)O}(n), there are three independent Zn(II) atoms present; two are located on special positions, viz a twofold rotation axis and an inversion centre, and the third is located in a general position. The Zn(II) atom on the inversion centre is six-coordinated by four O atoms from four different benzene-1,2,3-tricarboxyl-ate anions and two OH(-) anions. The Zn(II) atom located on a twofold axis is four coordinated by two O atoms from two different benzene-1,2,3-tricarboxyl-ate anions and two OH(-) anions. The third Zn(II) atom, located in a general position, is five coordinated by three O atoms from three different benzene-1,2,3-tricarboxyl-ate anions, one OH(-) anion and one water mol-ecule. Each benzene-1,2,3-tricarboxyl-ate anion bridges six Zn(II) atoms, and the OH(-) anion bridges three Zn(II) atoms, resulting in the formation of a three-dimensional framework. A series of O-H⋯O hydrogen bonds involving the benzene-1,2,3-tricarboxyl-ate anions, the OH(-) anion and the coordinating and the two water solvent mol-ecules further stablize the crystal structure. The two solvent water molecules show occupancies of 0.5 and 0.25.
在标题化合物{[Zn₂(C₉H₃O₆)(OH)(H₂O)]·0.5H₂O}ₙ中,存在三个独立的Zn(II)原子;两个位于特殊位置,即二重旋转轴和对称中心,第三个位于一般位置。位于对称中心的Zn(II)原子由来自四个不同苯-1,2,3-三羧酸根阴离子的四个O原子和两个OH⁻阴离子六配位。位于二重轴上的Zn(II)原子由来自两个不同苯-1,2,3-三羧酸根阴离子的两个O原子和两个OH⁻阴离子四配位。位于一般位置的第三个Zn(II)原子由来自三个不同苯-1,2,3-三羧酸根阴离子的三个O原子、一个OH⁻阴离子和一个水分子五配位。每个苯-1,2,3-三羧酸根阴离子桥连六个Zn(II)原子,OH⁻阴离子桥连三个Zn(II)原子,从而形成三维骨架。一系列涉及苯-1,2,3-三羧酸根阴离子、OH⁻阴离子以及配位和两个溶剂水分子的O—H⋯O氢键进一步稳定了晶体结构。两个溶剂水分子的占有率分别为0.5和0.25。