二乙三胺五乙酸锑的晶体结构

二乙三胺五乙酸锑的分子式为C_(14)H_(20)O_(10)N_3Sb,M_r=609.65,属单斜晶系,空间群为Cm,晶胞参数a=7.317A,b=19.951A,c=6.899A;β=116.24°,V=904.46A~3,Z=2。晶体结构用重原子法与直接法解出,结构经全矩阵最小乘法修正后偏离因子R=0.031和Rω=0.0314。结构表明分子中的Sb原子以sp~3d~3杂化的六个轨函与二乙三胺五乙酸中的三个氧原子和三个氮原子相配合,它们与Sb的孤对电子分别占据五角双锥各个角顶的位置。

The Crystal Structure of Antimonous Diethylenetriaminopentaacetate

The crystal structure of antimonous diethylenetriaminopentaacetate which has been determined by single crystal X-ray diffraction method is monoclinic, belonging to the space group Cm with the cell di-mensions:α=7. 317,b=19. 951,c=6. 988A ;β=116. 24° and Z=2.The crystal structure was solved by the heavy atoms method and direct methods. The structure has been refined by the full matrix least-squares method,final R=0. 031 ,RW = 0. 031. In the molecule the Sb atom makes use of six sp3d3 hybrid orbitals to combine with three O atoms, three N atoms and a lone-pair valence electrons to form a pentagonal pyramidal coordination configuration.