Mn(H2O)6(bctrz)2锰配合物的合成和结构

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Pī,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) 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 Pī 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) nm3,Z=1,Mr=539.37,Dc = 1.617 g/cm3,F(000)=279,μ=0.665 mm-1,the final R=0.0306 and wR=0.0841 for 1923 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.