烟酸锌配合物的合成及结构表征

Synthesis and Crystal Structure of the Nicotinate Zinc Complex

应用水热合成法合成了烟酸锌配合物,通过X-射线单晶衍射对其进行了结构表征,并通过XRD对其纯度进行了分析.X-射线单晶衍射表明,该配合物属正交晶系,空间群为Pbca,晶胞参数为a=1.4229(3)nm,b=0.69191(12)nm,c=0.85012(15)nm,α=90°,β=118.2020(10)°,γ=90°,Z=2,V=737.6(2)3,Mr=381.64,Dc=1.718 mg/m3,μ=1.710 mm-1,F(000)=392,最终R1=0.0189,wR2=0.0532.晶体结构表明,该配合物中中心锌原子是六配位,形成了一个稍微畸变的正八面体构型,通过氢键的作用,标题化合物形成了复杂的三维的网状结构.

The nicotinate zinc complex is synthesized and characterized by X-Ray single crystal diffraction.It crystallizes in Orthorhombic, space group Pbca with a=1.4229 （3） nm, b=0.69191 （12） nm, c=0.85012 （15） nm, alpha=90 deg, beta =118.2020（10） deg, gamma =90 deg, Z =2, V =737.6（2） A3, Mr =381.64, Dc =1.718 mg/m3 ,μ=1.710 mm-1 , F（000）=392.The Final R1=0.0189, wR2=0.0532.Crystal structure shows that the coordination environment around the Zinc can be described as a slightly distorted octahed-ron.The title compound forms a complex three-dimensional network structure through hydrogen bonding.