([Mn2(Pic)4(DMF)8]配合物的晶体结构

Crystal Structure of[Mn_2(Pic)_4(DMF)_8]Complex(Pic=picrate anion)

通过乙醚缓慢地扩散到六水合苦味酸锰的DMF溶液中的方法得到了标题配合物[Mn_2(Pic)_4(DMF)_8](Pic=苦味酸根阴离子)并进行了X-射线结构表征。该配合物晶体属单斜晶系,P2(1)/c空间群,晶体学参数为:a=15.2561(12),b=19.6756(16),c= 12.1328(10)■,β=94.4010(10)°,V=3631.2(5)■~3,Z=2,C_(48)H_(64)Mn_2N_(20)O_(36),M_■= 1607.07,D_c=1.470g/cm^3,F(000)=1660,μ=0.451mm^(-1),最终的一致性因子R= 0.0424。在不对称单胞中存在着两种配位环境相同的Mn(Ⅱ)离子,四个DMF中的羰基氧原子和两个苦味酸根离子中的酚氧原子直接和Mn(Ⅱ)离子配位,形成了一个扭曲的八面体几何构型。

The title complex, [ Mn2 （Pic） 4 （DMF） 8 ] （ Pic = picrate anion）, has been obtained by slow diffusion of diethyl ether into a DMF solution of the Mn（ Pic）2A· 6H2O and structurally characterized X-ray single -crystal diffraction. It crystallizes in the monoclinic, space group P2（ 1 ）/c with α = 15. 2561 （12）, b = 19. 6756 （16）,c = 12. 1328（10）X,β = 94.4010（10）°, V = 3631.2（5） A3, Z = 2, CnsH64Mn2N20O36, Mr = 1607.07, Dc = 1.470 g/cm^3,F（000） = 1660,μ = 0.451 mm^-1, R= 0.0424 and wR = 0. 1119 for 4595 observed reflections with Ⅰ 〉 2δr（Ⅰ）. There are two kinds of Mn（Ⅱ） ions which have the same coordination environment in the asymmetric unit cell. The Mn（Ⅱ） is coordinated by four carbonyl O atoms from the DMF molecules and two phenolate O atoms of the picrate anions, forming a distorted octahedral structure.