Yu Chun-Hua, Zhu Run-Qiang, Jin Yu, Liu Ming-Liang, Jin Lei
College of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, People's Republic of China.
Acta Crystallogr C. 2013 Aug;69(Pt 8):811-4. doi: 10.1107/S0108270113016557. Epub 2013 Sep 9.
The title compound, (C₂₄H₂₄N₇)₂[Cd₅Cl₁₆(H₂O)₄]·H₂O, contains a [Cd₅Cl₁₆(H₂O)₄]⁶⁻ anion, two triply protonated tris[(1H-benzimidazol-3-ium-2-yl)methyl]amine cations and one solvent water molecule. The structure of the anion is a novel chloride-bridged pentanuclear cluster. The five unique CdII centres have quite different coordination environments. Two of the central hexacoordinated CdII cations have a CdOCl₅ chromophore, in which each CdII cation is ligated by four bridging chloride ligands, one terminal chloride ligand and one water molecule, adopting a distorted octahedral environment. The third central CdII cation is octahedrally coordinated by four bridging chloride ligands and two water molecules. Finally, the two terminal CdII cations are pentacoordinated by two bridging and three terminal chloride ligands and adopt a trigonal-bipyramidal geometry. A three-dimensional supramolecular network is formed through intra- and intermolecular O-H∙∙∙O, O-H∙∙∙Cl, N-H∙∙∙Cl and N-H∙∙∙O hydrogen bonds and π-π interactions between the cations and anions.
标题化合物(C₂₄H₂₄N₇)₂[Cd₅Cl₁₆(H₂O)₄]·H₂O包含一个[Cd₅Cl₁₆(H₂O)₄]⁶⁻阴离子、两个三质子化的三[(1H-苯并咪唑-3-鎓-2-基)甲基]胺阳离子和一个溶剂水分子。阴离子的结构是一种新型的氯桥连五核簇。五个独特的CdII中心具有相当不同的配位环境。两个中心的六配位CdII阳离子具有CdOCl₅发色团，其中每个CdII阳离子由四个桥连氯配体、一个端基氯配体和一个水分子配位，呈扭曲的八面体环境。第三个中心的CdII阳离子由四个桥连氯配体和两个水分子八面体配位。最后，两个端基CdII阳离子由两个桥连和三个端基氯配体五配位，呈三角双锥几何构型。通过分子内和分子间的O-H∙∙∙O、O-H∙∙∙Cl、N-H∙∙∙Cl和N-H∙∙∙O氢键以及阳离子和阴离子之间的π-π相互作用形成三维超分子网络。
