Mao Wen-Zhao, Chen Jing
College of Chemistry, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, Tianjin Normal University, Tianjin 300387, People's Republic of China.
Acta Crystallogr C. 2013 Sep;69(Pt 9):1006-9. doi: 10.1107/S0108270113019999. Epub 2013 Aug 3.
In the title coordination polymer, catena-poly[[(methanol-κO)(nitrato-κO)cadmium(II)]-μ-3-(pyridin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-4H-1,2,4-triazol-4-ido], [Cd(C9H6N7)(NO3)(CH3OH)]n, the asymmetric unit is composed of one Cd(II) centre, one nitrate anion, one deprotonated 5-(pyridin-2-yl)-3,3'-bi(4H-1,2,4-triazole) ligand, denoted HBPT(-), and one coordinated methanol molecule. Each Cd(II) ion shows an octahedral geometry and is surrounded by four N atoms from two HBPT(-) ligands in the equatorial plane, and by two O atoms from a monodentate nitrate ligand and a methanol ligand. The structure is a one-dimensional polymeric chain, which is further extended to a three-dimensional supramolecular network via a combination of hydrogen-bonding and aromatic stacking interactions.
在标题配位聚合物[Cd(C₉H₆N₇)(NO₃)(CH₃OH)]ₙ，即链状聚[[(甲醇-κO)(硝酸根-κO)镉(II)]-μ-3-(吡啶-2-基)-5-(1H-1,2,4-三唑-5-基)-4H-1,2,4-三唑-4-负离子]中，不对称单元由一个Cd(II)中心、一个硝酸根阴离子、一个去质子化的5-(吡啶-2-基)-3,3'-联(4H-1,2,4-三唑)配体（记为HBPT(-)）和一个配位甲醇分子组成。每个Cd(II)离子呈现八面体几何构型，在赤道平面上被来自两个HBPT(-)配体的四个N原子包围，并被来自一个单齿硝酸根配体和一个甲醇配体的两个O原子包围。该结构为一维聚合物链，通过氢键和芳香堆积相互作用的组合进一步扩展为三维超分子网络。
