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聚[[四水合-(μ(4)-咪唑-4,5-二羧酸根)(μ(3)-咪唑-4,5-二羧酸根)-μ(3)-硫酸根-μ(2)-硫酸根-钴(II)双钆(III)]一水合物]

Poly[[tetra-aqua-(μ(4)-imidazole-4,5-dicarboxyl-ato)(μ(3)-imidazole-4,5-dicarboxyl-ato)-μ(3)-sulfato-μ(2)-sulfato-cobalt(II)digadolinium(III)] monohydrate].

作者信息

Zhu Li-Cai

机构信息

School of Chemistry and Environment, South China Normal University, Guangzhou 510631, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1741-2. doi: 10.1107/S160053681104726X. Epub 2011 Nov 12.

Abstract

The asymmetric unit of the title compound, {[CoGd(2)(C(5)H(2)N(2)O(4))(2)(SO(4))(2)(H(2)O)(4)]·H(2)O}(n), contains one Co(II) ion, two Gd(III) ions, two imidazole-4,5-dicarboxyl-ate ligands, two SO(4) (2-) anions, four coordinated water mol-ecules and one uncoordinated water mol-ecule. The Co(II) ion is six-coordinated by two O atoms from two coordinated water mol-ecules, as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands, giving a slightly distorted octa-hedral geometry. Both Gd(III) ions are eight-coordinated in a distorted bicapped trigonal-prismatic geometry. One Gd(III) ion is coordinated by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and a water O atom; the other Gd(III) ion is bonded to five O atoms from three imidazole-4,5-dicarboxyl-ate ligands, two O atoms from two SO(4) (2-) anions as well as a water O atom. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate and sulfate ligands, generating a heterometallic layer parallel to the ac plane. The layers are stacked along the b axis via N-H⋯O, O-H⋯O, and C-H⋯O hydrogen-bonding inter-actions, generating a three-dimensional framework.

摘要

标题化合物{[CoGd₂(C₅H₂N₂O₄)₂(SO₄)₂(H₂O)₄]·H₂O}ₙ的不对称单元包含一个Co(II)离子、两个Gd(III)离子、两个咪唑-4,5-二羧酸根配体、两个SO₄²⁻阴离子、四个配位水分子和一个未配位水分子。Co(II)离子由来自两个配位水分子的两个O原子以及来自两个咪唑-4,5-二羧酸根配体的两个O原子和两个N原子六配位,形成略微扭曲的八面体几何构型。两个Gd(III)离子均以扭曲的双帽三角棱柱几何构型八配位。一个Gd(III)离子由来自两个咪唑-4,5-二羧酸根配体的四个O原子、来自三个SO₄²⁻阴离子的三个O原子和一个水分子的O原子配位;另一个Gd(III)离子与来自三个咪唑-4,5-二羧酸根配体的五个O原子、来自两个SO₄²⁻阴离子的两个O原子以及一个水分子的O原子键合。这些金属配位单元通过桥连的咪唑-4,5-二羧酸根和硫酸根配体相连,形成平行于ac平面的异金属层。这些层通过N-H⋯O、O-H⋯O和C-H⋯O氢键相互作用沿b轴堆叠,形成三维框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c2ae/3238650/bf2c0d50c0c4/e-67-m1741-fig1.jpg

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