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聚[[μ-(1-铵基乙烷-1,1-二基)双(氢膦酸根)]钠]:粉末X射线衍射研究

Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]: a powder X-ray diffraction study.

作者信息

Rukiah Mwaffak, Assaad Thaer

机构信息

Department of Chemistry, Atomic Energy Commission of Syria (AECS), PO Box 6091, Damascus, Syrian Arab Republic.

出版信息

Acta Crystallogr C. 2013 Aug;69(Pt 8):815-8. doi: 10.1107/S0108270113016491. Epub 2013 Jul 9.

Abstract

The title two-dimensional coordination polymer, [Na(C₂H₈NO₆P₂)]n, was characterized using powder X-ray diffraction data and its structure refined using the Rietveld method. The asymmetric unit contains one Na⁺ cation and one (1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonate) anion. The central Na⁺ cation exhibits distorted octahedral coordination geometry involving two deprotonated O atoms, two hydroxy O atoms and two double-bonded O atoms of the bisphosphonate anion. Pairs of sodium-centred octahedra share edges and the pairs are in turn connected to each other by the biphosphonate anion to form a two-dimensional network parallel to the (001) plane. The polymeric layers are connected by strong O-H∙∙∙O hydrogen bonding between the hydroxy group and one of the free O atoms of the bisphosphonate anion to generate a three-dimensional network. Further stabilization of the crystal structure is achived by N-H∙∙∙O and O-H∙∙∙O hydrogen bonding.

摘要

二维配位聚合物[Na(C₂H₈NO₆P₂)]n通过粉末X射线衍射数据进行表征,并使用Rietveld方法对其结构进行精修。不对称单元包含一个Na⁺阳离子和一个(1-氮鎓基乙烷-1,1-二基)双(氢膦酸酯)阴离子。中心Na⁺阳离子呈现扭曲的八面体配位几何构型,涉及双膦酸酯阴离子的两个去质子化O原子、两个羟基O原子和两个双键O原子。以钠为中心的八面体对共享棱边,这些对又通过双膦酸酯阴离子相互连接,形成平行于(001)平面的二维网络。聚合物层通过羟基与双膦酸酯阴离子的一个游离O原子之间的强O-H∙∙∙O氢键连接,形成三维网络。晶体结构通过N-H∙∙∙O和O-H∙∙∙O氢键进一步稳定。

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