Yang Er Lei, Jiang Yun Liang, Wang Yu Ling, Liu Qing Yan
College of Chemistry and Chemical Engineering, Jiangxi Normal University, Nanchang, Jiangxi 330022, People's Republic of China.
Acta Crystallogr C. 2010 Sep;66(Pt 9):m231-4. doi: 10.1107/S0108270110029124. Epub 2010 Aug 4.
The title compound, {[Cd(2)(C(10)H(12)N(2)O(8))(H(2)O)].H(2)O}(n), consists of two crystallographically independent Cd(II) cations, one ethylenediaminetetraacetate (edta) tetraanion, one coordinated water molecule and one solvent water molecule. The coordination of one of the Cd atoms, Cd1, is composed of five O atoms and two N atoms from two tetraanionic edta ligands in a distorted pentagonal-bipyramidal coordination geometry. The other Cd atom, Cd2, is six-coordinated by five carboxylate O atoms from five edta ligands and one water molecule in a distorted octahedral geometry. Two neighbouring Cd1 atoms are bridged by a pair of carboxylate O atoms to form a centrosymmetric Cd(2)(edta)(2) unit located on the inversion centre, which is further extended into a two-dimensional layered structure through Cd2-O bonds. There are hydrogen bonds between the coordinated water molecules and carboxylate O atoms within the layer. The solvent water molecules occupy the space between the layers and interact with the host layers through O-H...O and C-H...O interactions.
标题化合物{[Cd₂(C₁₀H₁₂N₂O₈)(H₂O)].H₂O}ₙ由两个晶体学独立的Cd(II)阳离子、一个乙二胺四乙酸（edta）四阴离子、一个配位水分子和一个溶剂水分子组成。其中一个Cd原子Cd1的配位由来自两个四阴离子edta配体的五个O原子和两个N原子构成，呈扭曲的五角双锥配位几何构型。另一个Cd原子Cd2由来自五个edta配体的五个羧酸根O原子和一个水分子以扭曲的八面体几何构型进行六配位。两个相邻的Cd1原子由一对羧酸根O原子桥连，形成位于对称中心的中心对称[Cd₂(edta)₂]⁴⁻单元，该单元通过Cd2 - O键进一步扩展为二维层状结构。层内配位水分子与羧酸根O原子之间存在氢键。溶剂水分子占据层间空间，并通过O - H...O和C - H...O相互作用与主体层相互作用。
