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硝酸三(乙酰肼-κ,)(硝酸根-κ)(硝酸根-κ,')铽(III)的晶体结构和 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of tris-(acetohydrazide-κ ,)(nitrato-κ)(nitrato-κ ,')terbium(III) nitrate.

作者信息

Theppitak Chatphorn, Laksee Sakchai, Chainok Kittipong

机构信息

Thammasat University Research Unit in Multifunctional Crystalline Materials and Applications (TU-McMa), Faculty of Science and Technology, Thammasat University, Khlong Luang, Pathum Thani, 12121, Thailand.

Nuclear Technology Research and Development Center, Thailand Institute of Nuclear Technology (Public Organization), Ongkharak, Nakon Nayok, 26120, Thailand.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Mar 8;78(Pt 4):354-358. doi: 10.1107/S2056989022002298. eCollection 2022 Apr 1.

Abstract

In the title lanthanide(III) compound, [Tb(NO)(CHNO)]NO, the asym-metric unit contains one Tb ion, three acetohydrazide (CHNO) ligands, two coordinated nitrate anions, and an isolated nitrate anion. The Tb ion is in a ninefold coordinated distorted tricapped trigonal-prismatic geometry formed by three oxygen atoms and three nitro-gen atoms from three different acetohydrazide ligands and three oxygen atoms from two nitrate anions. In the crystal, the complex mol-ecules and the non-coordinated nitrate anions are assembled into a three-dimensional supra-molecular architecture through extensive N-H⋯O hydrogen-bonding inter-actions between the amine NH groups of the acetohydrazide ligands and the nitrate oxygen atoms. Hirshfeld surface analysis was performed to aid in the visualization of inter-mol-ecular contacts.

摘要

在标题镧系(III)化合物[Tb(NO)(CHNO)]NO中,不对称单元包含一个Tb离子、三个乙酰肼(CHNO)配体、两个配位硝酸根阴离子和一个孤立的硝酸根阴离子。Tb离子处于由来自三个不同乙酰肼配体的三个氧原子和三个氮原子以及来自两个硝酸根阴离子的三个氧原子形成的九配位扭曲三棱柱几何构型中。在晶体中,配合物分子和未配位的硝酸根阴离子通过乙酰肼配体的胺基NH基团与硝酸根氧原子之间广泛的N-H⋯O氢键相互作用组装成三维超分子结构。进行了 Hirshfeld 表面分析以帮助可视化分子间接触。

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