金属-氨基多羧酸类配合物分子和晶体结构 Ⅰ.Na_2[Fe~Ⅲ(ida)_2]_2·3H_2O配合物的合成及结构测定

INVESTIGATION ON MOLECULAR AND CRYSTAL STRUCTURES OF METAL COMPLEXES WITH AMINOPOLYCARBOXYLIC ACIDS Ⅰ. SYNITHESIS AND STRUCTURE OF Na2[FeⅢ(ida)2]2·3H2O

氨基多羧酸类配合物的配位数和结构不但与金属离子的半径、电荷和电子结构有关，而且还与氨基多羧酸类配体的形状和大小有关。本文报道了Ｎａ２［ＦｅⅢ（ｉｄａ）２］２·３Ｈ２Ｏ（ｉｄａ＝亚氨基二乙酸根）配合物的合成并测定了它的分子结构和晶体结构。具体结果如下：单斜晶系，Ｐ２１／ｃ空间群，ａ＝１５．６４８０（１０），ｂ＝１６．７８７０（１０），ｃ＝１０．３４７（２），β＝９０．７９０（１０）°，Ｖ＝２７１７．７（６）３，单位晶胞中的分子数为３，对于４７８９个独立的衍射点，它的Ｒ值为０．０３３３。其中两个配合物离子［ＦｅⅢ（ｉｄａ）２］－都是Ｎ和Ｎ顺位的变形八面体结构。由此可知具有对称电子结构（ｈｉｇｈ－ｓｐｉｎｄ５）的ＦｅⅢ与被看成是ｅｄｔａ（＝乙二胺四乙酸根）去掉了ＣＨ２－ＣＨ２的双ｉｄａ配体形成的配合物只能选择六配位八面体结构。

 In the present paper we described the synthesis and crystal structure determination of the title complex. The crystal structure of the title complex salt has been determined by singlecrystal Xray structure analysis. The crystal data are as follows; Monoclinic, P21/c, a=15.6480(10), b=16.7870(10), c=10.347(2), β=90.790(10)°, V=2717.7(6)3, Z=3, and R=00333 for 4789 observed reflections. The complex anion has a pseudooctahedral structure distorted more than the CrⅢ and CoⅢ analogs, in which each iminodiacetato ligand (ida) is coordinated in a facial fashion with the two N atoms in a cis configuration, resulting in an unsymfac structure.