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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 molecular formula of diethylenetriaminepentacetic acid antimony is C 14 H 20 O 10 N 3 Sb, M_r = 609.65, belonging to the monoclinic system with space group Cm, unit cell parameters a = 7.317A and b = 19.951 A, c = 6.899A; β = 116.24 °, V = 904.46A ~ 3, Z = 2. The crystal structure was solved by the method of heavy atom and direct method. The structure was corrected by the least square method and the deviation factor R = 0.031 and Rω = 0.0314. The structure shows that the Sb atom in the molecule is coordinated with three oxygen atoms and three nitrogen atoms in diethylenetriaminepentaacetic acid by the spheres of sp ~ 3d ~ 3 and the lone pair electrons of Sb and Sb respectively occupy Pentagon double cone the location of each corner.