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低温(CF3OCO)2NdCl·6EtOH晶体结构
THE CRYSTAL STRUCTURE OF(CF3 OCO)2 NdCl·6EtOH AT LOW TEMPERATURE
【摘要】 标题化合物晶体属于空间群P1,晶胞参数为:a=11.949(6)A,b=12.886(5)A,c=11.557(6)A,α=112.93(3)°,β=115.92(4)°,γ=82.41(4)°。3739个独立衍射数据由四圆单晶衍射仪用低温技术收集。结构用SHELXTL程序重原子法解。结构参数经块矩阵最小二乘法修正后,最终的一致性因子R=0.113。结构分析表明,由氧原子构成钕的八配位稍歪扭的正方反梭柱体,平均Nd-o=2.453A。
【Abstract】 The crystal of the title compound is triclinic with space group PI and a = 11.949(6)A, b = 12.886(5)A, c = 11.557(6)A, α = 112.93(3)°, β = 115.92(4)°, γ = 82.41(4)?. Di-ffraction bata of 3739 independent reflections were collected on Nicolet XRD R3 fourcircle diffractometer using Mokα radiation. The crystal structure was solved by theheavy atom method and difference Fourier synthesis and refined by the block leastsquare to a final R = 0.113 based on 3019 unique reflections upon F0≥ 3σ(F0). the stru-cture analysis showed that the coordination of neodymium by oxygen atoms is eight--fold with a geometry of a slightly distorted square antiprism and average Nd-O bondlength 2.453A and O-Nd-O angle ranged from 69.3°to 147.4°
- 【文献出处】 应用化学 ,Chinese Journal of Applied Chemistry , 编辑部邮箱 ,1986年06期
- 【被引频次】1
- 【下载频次】14