Wang Jian-Guo, Zhang Yuan, Su Zhong-Xing, Liu Xiang
Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):m593-4. doi: 10.1107/S1600536812014730. Epub 2012 Apr 13.
In the title compound, Cd(NCS)(2)(C(4)H(6)N(4)O(2))(2), the Cd(II) cation is located on an inversion center and is coordinated by two N and two S atoms from four SCN(-) anions and two N atoms from two 3-(1H-tetra-zol-1-yl)propanoic acid (Htzp) ligands in a distorted octa-hedral geometry. The SCN(-) anions bridge the Cd(II) cations into a layer structure parallel to (100). A weak intra-molecular C-H⋯N inter-action occurs. The layers are further assembled into a three-dimensional supra-molecular structure via classical O-H⋯O hydrogen bonds.
在标题化合物[Cd(NCS)₂(C₄H₆N₄O₂)₂]ₙ中,Cd(II)阳离子位于一个对称中心上,由四个硫氰酸根(SCN⁻)阴离子中的两个N原子和两个S原子以及两个3-(1H-四唑-1-基)丙酸(Htzp)配体中的两个N原子配位,形成扭曲的八面体几何构型。硫氰酸根(SCN⁻)阴离子将Cd(II)阳离子桥连形成平行于(100)的层状结构。存在弱的分子内C-H⋯N相互作用。这些层通过经典的O-H⋯O氢键进一步组装成三维超分子结构。