Chen Hong-Ren, Tang Tian-Sheng, Wang Jin, Liu Pei-Lian, Zhuo Zeng
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1717-8. doi: 10.1107/S1600536811046447. Epub 2011 Nov 9.
The title coordination polymer, {[Nd(2)(C(4)H(2)O(4))(3)(H(2)O)(4)]·3H(2)O}, was synthesized by the reaction of neodymium(III) nitrate hexa-hydrate with fumaric acid in a water-methanol (7:3) solution. The asymmetric unit comprises two Nd(3+) cations, three fumarate dianions (L(2-)), four aqua ligands and three uncoordinated water mol-ecules. The carboxyl-ate groups of the fumarate dianions exhibit different coordination modes. In one fumarate dianion, two carboxyl-ate groups chelate two Nd(3+) cations, while one of the O atoms is coordinated to another Nd(3+) cation. Another fumarate dianion bridges three Nd(3+) cations: one of the carboxyl-ate groups chelates one Nd(3+) cation, while the other carboxyl-ate group bridges two Nd(3+) cations in a monodentate mode. The third fumarate dianion bridges four Nd(3+) cations, where one of the carboxyl-ate groups chelates one Nd(3+) cation and coordinates in a monodentate mode to a second Nd(3+), while the second carboxyl-ate groups bridges two Nd(3+) cations in a monodentate mode and one O atom is coordinated to one Nd(3+) cation. The Nd(3+) cations are in a distorted tricapped-trigonal prismatic environment and coordinated by seven O atoms from the fumarate ligands and two O atoms from water mol-ecules. The Nd(3+) cations are linked by two carboxyl-ate O atoms and two carboxyl-ate groups, generating infinite Nd-O chains to form a three-dimensional framework. There are O-H⋯O and C-H⋯O hydrogen-bonding interactions between the coordin-ated and uncoordinated water mol-ecules and carboxyl-ate O atoms.
标题配合物{[Nd₂(C₄H₂O₄)₃(H₂O)₄]·3H₂O}是通过六水合硝酸钕(III)与富马酸在水-甲醇(7:3)溶液中反应合成的。不对称单元包含两个Nd³⁺阳离子、三个富马酸二阴离子(L²⁻)、四个水合配体和三个未配位的水分子。富马酸二阴离子的羧酸根基团呈现出不同的配位模式。在一个富马酸二阴离子中,两个羧酸根基团螯合两个Nd³⁺阳离子,而其中一个O原子与另一个Nd³⁺阳离子配位。另一个富马酸二阴离子桥连三个Nd³⁺阳离子:其中一个羧酸根基团螯合一个Nd³⁺阳离子,而另一个羧酸根基团以单齿模式桥连两个Nd³⁺阳离子。第三个富马酸二阴离子桥连四个Nd³⁺阳离子,其中一个羧酸根基团螯合一个Nd³⁺阳离子并以单齿模式与第二个Nd³⁺配位,而第二个羧酸根基团以单齿模式桥连两个Nd³⁺阳离子且一个O原子与一个Nd³⁺阳离子配位。Nd³⁺阳离子处于扭曲的三帽三角棱柱环境中,由来自富马酸配体的七个O原子和来自水分子的两个O原子配位。Nd³⁺阳离子通过两个羧酸根O原子和两个羧酸根基团相连,生成无限的Nd-O链以形成三维框架。在配位和未配位的水分子与羧酸根O原子之间存在O-H⋯O和C-H⋯O氢键相互作用。