Ln[(CH_3COO)_3·H_2O]的晶体结构(Ln=Pr,Nd)

Crystal Structure of Ln[(CH_3COO)_3·H_2O](Ln=Pr,Nd)

Ln[(CH_3COO)_3·H_2O](Ln=Pr,Nd),Mr=335.0[339.3],单斜晶系,P2_1/C空间群,a=8.406(3)[8.407(2)])方括中的数据是Nd[(CH_3COO)_3·H_2O]的相应数据),b=7.966(3)[7.931(1)],c=15.001(6)(?)[15.012(4)],β=93.89(3)~0[93.88(2)],V=1002.2(6)(?)~3[998.6(4)],Z=4,Dc=2.23g·cm^(-3)[2.46],λ(MoKa)=0.71069(?),μ=48.6cm^(-1)[52.6],F(000)=648[652],使用|F_0|>3σ(|F_0|)的2963[2693]个独立衍射,经最小二乘法修正到偏离因子R=0.045[0.038]。中心离子Pr[Nd]同其周围的6个羧基中的8个氧及1个水相键合,形成九配位的络合物。2个金属离子之间通过2个氧桥及1个羧基桥相连,形成1个沿b方向延伸的链状结构,各链之间由氢键和范德瓦尔力相联系。

Ln[(CH_3COO)_·H_2O](Ln=Pr,Nd).Mr=335.0[339.3],monoclinic,space group P2_1/C,a=8.406(3)[8.407(2)](data in[]are ones of Nd[(CH_3COO)_3·H_2O]),b=7.966(3)[7.931(1)],c=15.001(6)[15.012(4)],β=93.89(3)[93.88(2)],V=1002.2(6)[998.6(4)],Z=4,D_c=2.23g.cm^(-3)[2.46],λ(MoKa)=0.71069(?),μ=48.6cm^(-1),F(000)=648[652],final R=0.045[0.038]for 2963[2693]observed reflections with|F_0|>3σ(|F_0|).The title compound belongs to a chain shape structure.The connectionbetween the chains is made of hydrogen bonding and Van der Waals force.Pr[Nd]is bonded to nine oxygen atoms,where Pr[Nd]-O(acetate)in both bidentate and monodentate fashion,there is also double oxygen bridge from acetate between neigh- boring Pr[Nd]ions.The hydrogen bonds among the related chains are formed by aqua ligand.