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出 处:《苏州大学学报(自然科学版)》2009年第1期77-80,共4页Journal of Soochow University(Natural Science Edition)
基 金:Supported by the NSFC(20671066);student innovative experimental project of Suzhou University
摘 要:合成了新的锰配合物[Mn(H2O)6](bctrz)2(1),并测定了其晶体结构(bctrz=(4-苯甲酸)三氮唑).晶体属于三斜晶系,空间群P,īa=0.694 66(16),b=0.852 87(17),c=1.010 95(19)nm,α=72.556(12),β=90.109(2),γ=84.596(16)o,V=0.553 8(2)nm3,Z=1,Mr=539.37,Dc=1.617 g/cm3,F(000)=279,μ=0.665 mm-1.对于I>2σ(I)的1 923个衍射点的最终R=0.030 6,wR=0.084 1.锰原子与六个水分子的六个氧原子配位,形成了扭曲八面体的配位环境.通过[Mn(H2O)6]2+和bctrz的氢键作用,配合物1形成了三维网格.The new manganese (Ⅱ) complex [ Mn ( H2O)6 ] ( bctrz)2 ( 1 ) ( bctrz = (4-benzenecarboxylate)-1,2,4-triazole) was synthesized and characterized by single-crystal X-ray diffraction. The crystal is of triclinic ,space group Pi with a =0.694 66(16) ,b =0. 852 87(17) ,c = 1. 010 95 (19) nm,α = 72.556(12) ,β =90. 109(2) ,γ = 84. 596(16)°, V =0. 553 8(2) nm^3 ,Z = 1 ,Mr =539.37 ,Dc = 1. 617g/cm^3, F(000) =279,μ =0. 665mm^-1 ,the final R =0. 030 6 and wR =0. 084 1 for 1 923 observed reflections(I 〉2σ(I)). The coordination geometry of manganese atom is distorted octahedral,coordinated by six oxygen atoms from six water molecules. Complex 1 forms a three-dimensional network via the hydrogen bonding interactions between [ Mn (H2O) 6 ]^2+ and bctrz.
关 键 词:锰配合物 氢键 晶体结构 (4-苯甲酸)三氮唑 合成
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