Crystal structure and spectroscopic study of bis{1, 3-bis[3-(5-amino-1, 2, 4-triazolyl)]triazenido-N'4, N2, N''4}nickel(II) tetrahydrate

V. P. Hanot; T. D. Robert; J. G. Haasnoot; H. Kooijman; A. L. Spek

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Crystal structure and spectroscopic study of bis{1, 3-bis[3-(5-amino-1, 2, 4-triazolyl)]triazenido-N'4, N2, N''4}nickel(II) tetrahydrate

机译：四水合双{1，3-双[3-（5-氨基-1，2，4-三唑基）]三氮杂-N'4，N2，N''4}镍（II）的晶体结构和光谱研究

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The title compound [Ni(batt)_2] centre dot 4H_2O, in which Hbatt is 1, 3-bis[3-(5-amino-1, 2, 4-triazolyl)]-triazene, has been prepared and its crystal structure determined by X-ray diffraction methods. The compound crystallizes in the tetragonal space group I4/m (a = 10.5645(8) A, c = 9.1336(6) A, and Z = 2). The Ni(batt)_2 molecule has local 4-bar symmetry, but it is located on a crystallographic 4/m site and is disordered over the mirror plane. The ligand batt~- is tridentate with nitro-type coordination of the triazenido group and N~4 coordination of the two outer triazolyl substituents. The complex has a distorted octahedral geometry with meridional configuration of the two nearly planar batt~- ligands. The geometry of the tridentate cavity is examined and a comparison is made with the Ni-terpyridyl system, which shows similar coordination around the nickel center. The FTIR, micro-Raman, and UV-vis spectra are analyzed in relation with the structure.

机译：制备标题化合物[Ni（batt）_2]中心点4H_2O，其中Hbatt为1，3-双[3-（5-氨基-1，2，2，4-三唑基）]-三氮烯，其晶体结构用X射线衍射法测定。该化合物在四方晶空间群I4 / m中结晶（a = 10.5645（8）A，c = 9.1336（6）A，Z = 2）。 Ni（batt）_2分子具有局部4-bar对称性，但位于晶体学4 / m位置，并在镜平面上无序。配体batt-是三齿的，三氮烯基的硝基型配位和两个外部三唑基取代基的N〜4配位。该配合物具有扭曲的八面体几何形状，具有两个接近平面的batt--配体的子午线构型。检查了三齿腔的几何形状，并与镍-吡啶基体系进行了比较，该体系显示出围绕镍中心的相似配位。结合结构分析了FTIR，显微拉曼光谱和UV-vis光谱。

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来源
《Journal of chemical crystallography》 |1999年第3期|共100页
作者
V. P. Hanot; T. D. Robert; J. G. Haasnoot; H. Kooijman; A. L. Spek;
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正文语种 eng
中图分类晶体学;
关键词
triazole; triazene; Ni(II); structure; spectroscopy;

机译：三唑;三氮烯;Ni（II）;结构;光谱;

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1. Crystal structure and spectroscopic study of bis{1, 3-bis[3-(5-amino-1, 2, 4-triazolyl)]triazenido-N'4, N2, N''4}nickel(II) tetrahydrate [J] . V. P. Hanot, T. D. Robert, J. G. Haasnoot, Journal of chemical crystallography . 1999,第3期

机译：四水合双{1，3-双[3-（5-氨基-1，2，4-三唑基）]三氮杂-N'4，N2，N''4}镍（II）的晶体结构和光谱研究
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Crystal structure and spectroscopic study of bis{1, 3-bis[3-(5-amino-1, 2, 4-triazolyl)]triazenido-N'4, N2, N''4}nickel(II) tetrahydrate

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