[Mn_2(CHZ)_4(H_2O)_2](PA)_4·10H_2O的制备和分子结构研究

A STUDY OF PREPARATION AND MOLECULAR STRUCTURE OF\= (PA)\-410H\-2O

本文论述了苦味酸（ＰＡ，三硝基苯酚）锰与碳酰肼（ＣＨＺ，ＮＨ２ＮＨＣＯＮＨＮＨ２）反应制备目标配合物的方法及该配合物的晶体结构。该配合物的结构式为［Ｏ，Ｏ′－μ－Ｍｎ２（ＣＨＺ）４（Ｈ２Ｏ２）］（ＰＡ）４·１０Ｈ２Ｏ。晶体属三斜晶系，Ｐ１－空间群。晶体学参数为：ａ＝０．８２６９（１）ｎｍ，ｂ＝１．２８１２（１）ｎｍ，ｃ＝１．５９１５（１）ｎｍ；α＝１０９．５８（１）°，β＝９５．１９（１）°，γ＝９２．７６（１）°，Ｖ＝１．５７６５（２）ｎｍ３；Ｚ＝１，Ｄｃ＝１．５８０ｇ·ｃｍ－３，μ（ＭｏＫα）＝５２０ｍ－１。晶体结构经全矩阵最小二乘法修正，最终偏离因子Ｒ＝０．０５５７。该化合物为具有中心对称的双核配合物，以两个碳酰肼分子中羰基氧为桥原子将两个锰离子结合起来，与锰离子形成配位键的原子是碳酰肼分子第一、五氮原子，羰基氧原子和水分子中的氧原子，锰离子的配位数为七。若味酸根作为外界离子以库伦力和氢键与内界离子结合成配合物分子。

The preparation method and structure analysis results were reported for the coordinate on compound of manganese picrate and carbohydrazide Xray diffraction method with a fourcircle diffractometer. The coordination compounds could be expressed in the formula of (PA)\-410H\-2O. The crystalline is in triclinic with space group \%P\%\{1 - \}. The unit cell parameters are as follows: \%a\%=0.8269(1) nm, b=1.2812(1) nm, c=1.5915(1) nm; =109.58(1), =95.19(1), =92.76(1), V=1.5765(2) nm\+3; Z=1, Dc=1.580 gcm\+\{-3\}. With the method of fullmatrix leastsquared on F2, the final R is 0.0557. The complex is binuclear compound. The two manganese cations are linked by oxolation of carbohydrazide. The coordinate atom are N atom and O atom provided by the ligands of carbohydrazide and water. The coordination number is seven. As outer sphere, picrate anions are combined with inner by hydrogen bond and static electricity.\=\;