Na_3[Tb{C_5H_3N(COO)_2}_3]·10H_2O的晶体结构

Crystal Structure of Na_3[Tb{C_5 H_3 N(COO)_2 }_3 ] · 10H_2 O

标题化合物晶体属单斜晶系,空间群P2_1/c,a=0.963 0(1),b=1.884 0(3),c=1.827 8(2)nm,β=90.57(1)°,V=3.315 9 nm^3,Z=4,D_6=1.773g/cm^3。结构是用直接法解出,最后R因子为0.045。结果表明,该单斜晶相含有单核三(吡啶-2,6-二羧酸根)合蒽络阴离子[Tb(dipic)_3]^(3-),Tb^(3+)离子由6个羧酸根O原子和3个N原子配位形成三帽三方柱配位多面体。Na^+离子均由羧基O或水分子配位形成Na-O八面体。这些畸变的八面体除共享顶点外,还以共棱或共面的方式联结。整个晶体结构由Na-O键和氢键将Na^+离子和络阴离子联结起来。

The crystal and molecular structure of the monocliniic toisodium tri(pridine-2 , 6-dicarboxylato) terbate (Ⅲ) 10-hydrate was determined by X-ray diffraction technique. Four formula units crystallize in a monoclinic cell with the dimensions a=0.963 0(1), b=1.884 0(3), c= 1.827 8(2) nm, and β=90.57(1)°,V=3.315 9 nm, Dc= 1.773 g/cm3. The space group is P21/c. The structure was solved by direct methods and refined to R=0.045 for 587 0 MoKα reflections. The investigated phase contains mononuclear tris (pyridine-2, C-dicarboxylato) compiex ions.In each of them the lanthanoid ion is coordinated by six carboxylato O atoms and three N atoms which form a tricapped trisonal prism. Mine of the to H2O moleculess take part in the formation of the distorted Na-O coordinatian. octahedra which are connected, by sharing cither by edge or face besides corner-linking. The structure ia held together by a three-dimensional network of Na-carboxylato O bonds as well as hydrogen bonds.