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配合物[ML2]的合成及晶体结构(M=Ni2+,Cu2+;HL=C7H7NO)
Synthesis and crystal structure of [ML2](M=Ni2+,Cu2+;HL=C7H7NO)
【摘要】 标题化合物[ML2](M=Ni2+,Cu2+;HL=C7H7NO,2-亚胺基甲基苯酚)由2-亚胺基甲基苯酚与NiCl2或CuCl2在无水乙醇中反应制得.用X射线衍射分析测定了两个化合物晶体结构.结果表明:它们均属单斜晶系,空间群为P2(1)/c,中心离子M(Ⅱ)的配位环境呈平面四方形.配合物[Ni(C7H6NO)2)]的晶体学参数:a=1.2918(3)nm,b=1.7512(4)nm,c=0.8110(2)nm,β=95.56(3)°,V=1.826(6)nm3,Z=2,Dc=1.627Mg/m3,Mr=298.97,μ=1.591mm-1,F(000)=920,最终结构偏离因子R=0.0487,Rw=0.1199,S=1.018,最终差值电子云密度的最高峰和最低峰分别为1120nm-3和-1226nm-3.配合物[Cu(C7H6NO)2)]的晶体学参数:a=1.2954(13)nm,b=0.5843(8)nm,c=0.8039(10)nm,β=94.69(3)°,V=0.6064(9)nm3,Z=2,Dc=1.664Mg/m3,Mr=303.80,μ=1.798mm-1,F(000)=310,最终结构偏离因子R=0.0449,Rw=0.1196,S=1.077,最终差值电子云密度的最高峰和最低峰分别为484nm-3和-388nm-3.
【Abstract】 The complexes [ML2](M=Ni2+,Cu2+;HL=C7H7NO,2-(iminomethyl)phenol)were prepared by the reaction of CuCl2·2H2O or NiCl2·2H2O with 2-(iminomethyl)phenol in ethanol,and the crystal structures of [M(C7H6NO)2)] were studied.The single-crystal X-ray study shows that both compounds [Ni(C7H6NO)2)] and [Cu(C7H6NO)2)] are with square structure belonging to monoclinic system with space group P2(1)/c.The lattice parameters of [Ni(C7H6NO)2)] :a=1.291 8(3)nm,b=1.751 2(4)nm,c=0.811 0(16)nm,β=95.56(3)°,V=1.826(6)nm3,Z=2,Dc=1.627 Mg/m3,Mr=597.93,μ=1.591 mm-1,F(000)=920,R=0.048 7,Rw=0.119 9,S=1.018.The largest diff peak and hole are 1 120 nm-3 and-1 226 nm-3 respectively.The lattice parameters of [Cu(C7H6NO)2)] :a=1.295 4(13)nm,b=0.584 3(8)nm,c=0.803 9(10)nm,β=94.693 0(10)°,V=0.606 49(13)nm3,Z=2,Dc=1.664 Mg/m3,Mr=303.80,μ=1.798 mm-1,F(000)=310,R=0.044 9,Rw=0.119 6,S=1.077.The largest diff peak and hole of electron density are 484 and-388 nm-3 respectively.
- 【文献出处】 徐州师范大学学报(自然科学版) ,Journal of Xuzhou Normal University(Natural Science Edition) , 编辑部邮箱 ,2009年03期
- 【分类号】O641.4
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