本文报道了高氯酸三碳酰肼合镉（Ⅱ）的制备方法和分子结构。该配合物结构式为［Ｃｄ（ＣＨＺ）３］（ＣｌＯ４）２。晶体属单斜晶系，Ｐ２１／ｎ空间群。晶体学参数为：ａ＝１．０２８１（１）ｎｍ，ｂ＝０．８６１７（１）ｎｍ，ｃ＝２．１３６０（１）ｎｍ，β＝１００．５３°，Ｖ＝１．８６０４（３）ｎｍ３；Ｚ＝４，Ｄｃ＝２．０７６ｇ·ｃｍ－３，μ（Ｍｏ，Ｋα）＝１５．４３ｃｍ－１。经全矩最小二乘法对非氢原子坐标和温度因子进行修正。最终偏离因子Ｒ＝０．０２９６。在该配合物中，碳酰肼（ＣＨＺ）分子作为双齿配体，由羰基氧原子和１位氮原子与Ｃｄ配位，形成五员平面螯合环，配合物分子中共有三个这样的螯合环，中心离子为六配位八面体构型；配合物的外界是两个高氯酸根离子，通过库仑力与内界结合在一起 The preparation and molecular structure of cadmium (Ⅱ) perchlorate hydrate were reported in this paper. The structure of the complex is [Cd (CHZ) 3] (ClO4) 2. Crystal is monoclinic, P21 / n space group. The crystallographic parameters are as follows: a = 1.0281 (1) nm, b = 0.8617 (1) nm, c = 2.1360 nm, β = 100.53 °, V = 1.8604 (3) nm3; Z = 4, Dc = 2.076 g-cm-3, μ (Mo, Kα) = 15.43 cm-1. Non-hydrogen atomic coordinates and temperature factors are corrected by full-square least-squares method. The final deviation factor R = 0.0296. In this complex, carbohydrazide (CHZ) molecules act as bidentate ligands, which coordinate with Cd by carbonyloxy and nitrogen atom to form five-plane chelating rings. There are three such chelates in the complex molecule Ring, the center of ions for the six coordination octahedral configuration; the outer complex is two perchlorate ions, through the Coulomb force and the inner world together