三乙四胺六乙酸钆单核配合物的合成及晶体结构

Synthesis and Crystal Structure of Gadolinium Mononuclear\= Complex with Triethylenetetraaminehexaacetic Acid

在水溶液中合成了三乙四胺六乙酸（Ｈ６ｔｔｈａ）钆单核配合物（ＮＨ４）２［Ｇｄ（Ｈｔｔｈａ）］·６Ｈ２Ｏ，获得了单晶，并测定了其结构．晶体属单斜晶系，Ｐ２１／ｃ空间群．晶胞参数ａ＝１．０４００（４）ｎｍ，ｂ＝１．２７６１（４）ｎｍ，ｃ＝２．３１３２（４）ｎｍ，β＝９０．８９（３）°，Ｖ＝３．０７０（２）ｎｍ３，Ｚ＝４，Ｄｃ＝１．７０９ｇ／ｃｍ３．Ｒ１＝０．０３９４，Ｆ（０００）＝１６１２．配合物是单核分子，每个钆离子与来自同一个三乙四胺六乙酸的４个氮原子和５个羧基氧原子配位，配位数为９。

The gadolinium complex with triethylenetetraaminehexaacetic acid (abbreviated as H\-6ttha), (NH\-4)\-2\{\ \}\56H\-2O was synthesized in aqueous solution, and its crystal structure was determined by X\|ray four\|cycle diffraction method. The crystal is monoclinic, space group P21/c, with a=1.040 0(4) nm, b=1.276 1(4) nm, c=2.313 2(4) nm, \{=\}90\^89(3), V=3.070(2) nm3, Z=4, Dc=1.709 g/cm\+3. The complex was a mononuclear molecule, each gadolinium ion is coordinated by four nitrogen atoms and five carboxyl oxygen atoms from one Httha, forming a coordination polyhedron of mono capped square antiprism.