首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Polytetra­aqua­(μ4-imidazole-45-dicarboxyl­ato)(μ3-imidazole-45-dicarboxyl­ato)-μ3-sulfato-μ2-sulfato-cobalt(II)digadolinium(III) monohydrate
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Polytetra­aqua­(μ4-imidazole-45-dicarboxyl­ato)(μ3-imidazole-45-dicarboxyl­ato)-μ3-sulfato-μ2-sulfato-cobalt(II)digadolinium(III) monohydrate

机译:聚四水(μ4-咪唑-45-二羧基­)(μ3-咪唑-45-二羧基­)-μ3-硫酸根-μ2-硫酸根-ato(III)-一水合钴

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摘要

The asymmetric unit of the title compound, {[CoGd2(C5H2N2O4)2(SO4)2(H2O)4]·H2O}n, contains one CoII ion, two GdIII ions, two imidazole-4,5-dicarboxyl­ate ligands, two SO4 2− anions, four coordinated water mol­ecules and one uncoordinated water mol­ecule. The CoII ion is six-coordinated by two O atoms from two coordinated water mol­ecules, as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl­ate ligands, giving a slightly distorted octa­hedral geometry. Both GdIII ions are eight-coordinated in a distorted bicapped trigonal–prismatic geometry. One GdIII ion is coordinated by four O atoms from two imidazole-4,5-dicarboxyl­ate ligands, three O atoms from three SO4 2− anions and a water O atom; the other GdIII ion is bonded to five O atoms from three imidazole-4,5-dicarboxyl­ate ligands, two O atoms from two SO4 2− anions as well as a water O atom. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl­ate 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 inter­actions, generating a three-dimensional framework.
机译: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-4,5-二羧酸酯配体,两个SO4 2-阴离子,四个配位水分子和一个未配位水分子。 Co II 离子与来自两个配位水分子的两个O原子以及来自两个咪唑-4,5-二羧酸酯配体的两个O原子和两个N原子进行六配位八面体几何。两种Gd III 离子在扭曲的二等分三角形-棱柱形几何形状中都是八配位的。一个Gd III 离子由两个咪唑-4,5-二羧酸酯配体的四个O原子,三个SO4 2-阴离子的三个O原子和一个水O原子配位。另一个Gd III 离子与来自三个咪唑-4,5-二羧酸酯配体的五个O原子,来自两个SO4 2-阴离子的两个O原子以及一个水键合O原子。这些金属配位单元通过桥接4,5-二羧酸咪唑和硫酸盐配体连接,生成平行于ac平面的杂金属层。这些层经由NH-OH,OH-OH和CHOH-氢键相互作用沿b轴堆叠,从而产生三维框架。

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