首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of an unknown solvate of bis­(tetra-n-butyl­ammonium) NN′-(4-tri­fluoro­methyl-12-phenyl­ene)bis­(oxamato)-κ4ONN′O′nickelate(II)
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Crystal structure of an unknown solvate of bis­(tetra-n-butyl­ammonium) NN′-(4-tri­fluoro­methyl-12-phenyl­ene)bis­(oxamato)-κ4ONN′O′nickelate(II)

机译:双­(四正丁基­铵)NN-(4-三­氟­甲基-12-苯基­)双­(草酸酯)-κ4的未知溶剂化物的晶体结构ONNO镍酸根(II)

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摘要

In the title compound, [N(C4H9)4]2[Ni(C11H3F3N2O6)] or [N(n-Bu)4]2[Ni(topbo)] [n-Bu = n-butyl and topbo = 4-tri­fluoro­methyl-1,2-phenyl­enebis(oxamate)], the Ni2+ cation is coordinated by two deprotonated amido N atoms and two carboxyl­ate O atoms, setting up a slightly distorted square-planar coordination environment. The [Ni(topbo]2− anion lies on a twofold rotation axis. Due to an incompatibility with the point-group symmetry of the complete mol­ecule, orientational disorder of the CF3 group is observed. The tetra­hedral ammonium cations and the anion are linked by weak inter­molecular C—H⋯O and C—H⋯F hydrogen-bonding inter­actions into a three-dimensional network. A region of electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C>71, 9–18] following unsuccessful attempts to model it as plausible solvent mol­ecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent mol­ecule.
机译:在标题化合物中,[N(C4H9)4] 2 [Ni(C11H3F3N2O6)]或[N(n-Bu)4] 2 [Ni(topbo)] [n-Bu =正丁基,topbo = 4-三氟甲基-1,2-亚苯基二(草酸酯)],Ni 2 + 阳离子由两个去质子化的酰胺N原子和两个羧基化的O原子配位,建立了一个稍微扭曲的方平面配位环境。 [Ni(topbo] 2-阴离子位于旋转轴的两倍上,由于与完整分子的点基对称性不相容,观察到CF3基团的取向紊乱。阳离子和阴离子之间通过弱分子间的CHH和CHF氢键相互作用而连接成三维网络,在PLATON中用SQUEEZE程序处理了电子密度区域[Spek(2015)。 Acta Cryst。C > 71 ,第9–18页)未成功将其建模为合理的溶剂分子,但给定的化学式和其他晶体数据未考虑未知的溶剂分子。

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