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[Mn(H2O)6](bctrz)2锰配合物的合成和结构
引用本文:钱新,汤磊,李宝龙,张勇.[Mn(H2O)6](bctrz)2锰配合物的合成和结构[J].苏州大学学报(医学版),2009,25(1):77-80.
作者姓名:钱新  汤磊  李宝龙  张勇
作者单位:苏州大学,化学化工学院,江苏,苏州,215123  
基金项目:国家自然科学基金,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Pi,a=0.69466(16),b=0.85287(17),c=1.01095(19)nm,α=72.556(12),β=90.109(2),γ=84.596(16)°,V=0.5538(2)nm^3,Z=1,Mr=539.37,Dc=1.617g/cm^3,F(000)=279,μ=0.665mm^-1.对于I〉2σ-(I)的1923个衍射点的最终R=0.0306,wR=0.0841.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.

关 键 词:锰配合物  氢键  晶体结构  (4-苯甲酸)三氮唑  合成

Synthesis and crystal structure of manganese complex [Mn(H_2O)_6](bctrz)_2
Qian Xin,Tang Lei,Li BaoLong,Zhang Yong.Synthesis and crystal structure of manganese complex [Mn(H_2O)_6](bctrz)_2[J].Journal of Suzhou University(Natural Science),2009,25(1):77-80.
Authors:Qian Xin  Tang Lei  Li BaoLong  Zhang Yong
Institution:School of Chemistry and Chemical Engineering;Suzhou Univ.;Suzhou 215123;China
Abstract: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.
Keywords:manganese complex  hydrogen bonding  crystal structure  (4-benzenecarboxylate)-1  2  4-triazole  synthesis
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