15-王冠-5硝酸镨的晶体结构

15-王冠-5硝酸镨晶体的分子式为Pr(NO₃)₃C₁₀H₂₀O₅,属单斜晶系,空间群为C_2h⁵-P2₁/α,晶胞参数α=13.622埃,b=14.599埃,c=9.336埃,β=95°20′,晶胞内分子数z=4,用Pw-1100四圆衍射仪收集衍射强度数据,独立衍射点数2853个,用重原子法解晶体结构,结构参数的修正采用准对角矩阵最 关键词：

THE CRYSTAL STRUCTURE OF 15-CROWN-5 NITRATE PRASEODYMIUM

The crystal of 15-crown-5 nitrate praseodymium with composition Pr(NO₃)₃C₁₀H₂₀O₅ belongs to monoclinic system. The space group is C_2h⁵-P2₁/α with lattice parameters α = 13.622?, b = 14.599?, c = 9.336?, β = 95°20′ and 4 molecules in the unit cell. The intensities of 2853 independent reflection were collected by the PW-1100 four-circle diffractometer. The structure was solved by heavy-atom method and refined to a final R = 0.080 by block diagonal least square method. The praseodymium coordination comprises the five crown oxygens (Pr-O_crown= 2.545?) and two oxygens from each of the three bidentate nitrates (Pr-O_(NO3^-)= 2.685?). The coordination number is eleven.
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