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聚[[四水合双(μ(3)-1H-咪唑-4,5-二羧酸根)四(μ(2)-1H-咪唑-4,5-二羧酸根)三钴(II)二镱(III)]二水合物]

Poly[[tetra-aqua-bis-(μ(3)-1H-imidazole-4,5-dicarboxyl-ato)tetra-kis-(μ(2)-1H-imidazole-4,5-dicarboxyl-ato)tricobalt(II)diytterbium(III)] dihydrate].

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 Aug 1;67(Pt 8):m1121-2. doi: 10.1107/S1600536811028285. Epub 2011 Jul 23.

Abstract

The asymmetric unit of the title compound, {[Co(3)Yb(2)(C(5)H(2)N(2)O(4))(6)(H(2)O)(4)]·2H(2)O}(n), contains one Yb(III) ion, two Co(II) ions (one situated on an inversion centre), three imidazole-4,5-dicarboxyl-ate ligands, two coordinated water mol-ecules and one uncoordinated water mol-ecule. The Yb(III) ion is seven-coordinated, in a monocapped trigonal prismatic coordination geometry, by six O atoms from three imidazole-4,5-dicarboxyl-ate ligands and one water O atom. Both Co(II) ions are six-coordinated in a slightly distorted octa-hedral geometry. The Co(II) ion that is located on an inversion center is coordinated by two O atoms from two water mol-ecules, as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands. The second Co(II) ion is bonded to four O atoms and two N atoms from four imidazole-4,5-dicarboxyl-ate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N-H⋯O, O-H⋯O and C-H⋯O hydrogen-bonding inter-actions involving the water mol-ecules and the imidazole-4,5-dicarboxyl-ate ligands.

摘要

标题化合物{[Co₃Yb₂(C₅H₂N₂O₄)₆(H₂O)₄]·2H₂O}ₙ的不对称单元包含一个Yb(III)离子、两个Co(II)离子(其中一个位于对称中心)、三个咪唑-4,5-二羧酸根配体、两个配位水分子和一个未配位水分子。Yb(III)离子为七配位,呈单帽三棱柱配位几何构型,由来自三个咪唑-4,5-二羧酸根配体的六个O原子和一个水分子的O原子配位。两个Co(II)离子均为六配位,呈略微扭曲的八面体几何构型。位于对称中心的Co(II)离子由来自两个水分子的两个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原子配位。第二个Co(II)离子与来自四个咪唑-4,5-二羧酸根配体的四个O原子和两个N原子键合。这些金属配位单元通过桥连的咪唑-4,5-二羧酸根配体相连,形成三维网络。晶体结构通过涉及水分子和咪唑-4,5-二羧酸根配体的N-H⋯O、O-H⋯O和C-H⋯O氢键相互作用进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bb38/3212186/3b53a67af1f5/e-67-m1121-fig1.jpg

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