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用皮考林酸和六水合氯化镍反应制备了一种三维氢键超分子配合物,经X射线衍射分析确定了单晶结构.该晶体属单斜晶系,P21/m空间群,晶胞参数为:a=0.976 0(2)nm,b=0.522 54(10)nm,c=1.450 1(3)nm,Mr=374.98,α=90.08(3)°,β=90.08(3)°,γ=90°,V=0.739 63(3)nm3,Z=2,ρ=1.684 g/cm3,F(000)=388,μ=1.357 mm-1,R=0.039 0,wR=0.090 8.共收集2 656个衍射数据,其中1 569个为独立衍射点(Rint=0.033 2),可观测点数1 382个(I>2σ(I)).结果表明,在组成该超分子体系的基本结构单元[N i(C6H4O2N)2.(H2O)4]中,N i(Ⅱ)离子形成六配位的稍拉长的八面体构型,配合物单元之间通过氢键相互连接,形成了无限延伸的具有网状结构的三维超分子体系.
A three-dimensional hydrogen bonding supramolecular complex was prepared by using picolinic acid and nickel chloride hexahydrate. The crystal structure of monoclinic crystal was determined by X-ray diffraction. The crystal belongs to monoclinic space group P21 / m, crystal The cell parameters were: a = 0.976 0 (2) nm, b = 0.522 54 (10) nm, c = 1.450 1 (3) nm, Mr = 374.98, α = 90.08 , γ = 90 °, V = 0.73963 (3) nm3, Z = 2, ρ = 1.684 g / cm3, F (000) = 388, μ = 1.357 mm-1, R = 0.0390, wR = 0.0908. A total of 2 656 diffraction data were collected, including 1 569 independent diffraction points (Rint = 0.033 2) and 1 382 observable points (I> 2σ (I)). The results showed that in the basic structure of the supramolecular system In the unit [Ni (C6H4O2N) 2. (H2O) 4], the Ni (II) ions form a six-coordinated slightly elongated octahedral configuration, and the units of the complexes are connected to each other by hydrogen bonds to form an infinite Extended three-dimensional supramolecular system with network structure.