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链状聚[[[[3-(2-吡啶基)-1H-吡唑]镍(II)]-μ-草酸根]倍半水合物]

catena-Poly[[[[3-(2-pyrid-yl)-1H-pyra-zole]nickel(II)]-μ-oxalato] sesquihydrate].

作者信息

Jiang Bin, Liu Zhilu

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):m898-9. doi: 10.1107/S1600536809026117.

Abstract

In the title compound, {[Ni(C(2)O(4))(C(8)H(7)N(3))]·1.5H(2)O}(n), both unique Ni(II) ions are chelated by an O,O'-bidentate oxalate ion and an N,N'-bidentate 3-(2-pyrid-yl)pyrazole mol-ecule. A second, symmetry-generated, oxalate ion completes a distorted cis-NiN(2)O(4) octa-hedral geometry for both metal centres. The bridging oxalate ions result in two distinct wave-like polymeric chains propagating in [100]. The packing is consolidated by N-H⋯O and O-H⋯O hydrogen bonds. The crystal studied was found to be an inversion twin.

摘要

在标题化合物{[Ni(C₂O₄)(C₈H₇N₃)]·1.5H₂O}ₙ中,两个独特的Ni(II)离子均由一个O,O'-双齿草酸根离子和一个N,N'-双齿3-(2-吡啶基)吡唑分子螯合。第二个通过对称生成的草酸根离子为两个金属中心完成了扭曲的顺式-NiN₂O₄八面体几何构型。桥连的草酸根离子导致两条不同的波浪状聚合物链在[100]方向上延伸。通过N-H⋯O和O-H⋯O氢键使堆积更加稳固。所研究的晶体被发现是一个倒转孪晶。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7e36/2977188/440c0f10d16d/e-65-0m898-fig1.jpg

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本文引用的文献

1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.

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