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镧的配合物La[(S_2CNC_4H_8)_3·C_4H_8O·H_2O]是由LaCl_3和Na(S_2CNC_4H_8)·2H_2O在四氢呋喃中反应而获得的。它的晶体属于三斜晶系,空间群为Pi,单胞参数a=10.557(2)(?),b=10.943(3)(?),c=13.443(3)(?),α=101.83(2)(?),β=9306(2)°,γ=114.90(2)°,V=1391.9(1.5)(?)~3,Z=2。 晶体结构是采用Patterson法和几轮的差Fourier合成解出的。所有非氢原子的位置参数和各向异性热振动参数经全矩阵最小二乘法修正,最后偏离因子R=0.032,R_w=0.046。分子结构中La原子同三个(S_2CNC_4H_8)~-中的六个S原子和分别来自四氢呋喃分子和水分子中的二个O原子键联。La—S平均距离2.973(?),La—O距离分别为2.596(?)(THF)和2.555(?)(H_2O),它们形成一个扭变三角形十二面体的配位多面体构型。
The lanthanum complex La [(S_2CNC_4H_8) _3 · C_4H_8O · H_2O] was obtained by the reaction of LaCl_3 and Na (S_2CNC_4H_8) · 2H_2O in tetrahydrofuran. Its crystal belongs to the triclinic system with space group Pi. The unit cell parameters a = 10.557 (2) (?), B = 10.943 (3) (?), C = 13.443 (3) Β = 9306 (2) °, γ = 114.90 (2) °, V = 1391.9 (1.5) (?) ~ 3 and Z = 2. The crystal structure is solved using the Patterson method and rounds of difference Fourier synthesis. All the nonhydrogen atoms’ position parameters and the anisotropic thermal vibration parameters were corrected by the full matrix least squares method. The final deviation factor R = 0.032, R_w = 0.046. In the molecular structure, six atoms of La atom and three of the three (S_2CNC_4H_8) ~ - are bonded to two O atoms in the molecule of water and two atoms of O in water, respectively. La-S has an average distance of 2.973 (?) And La-O distances of 2.596 (?) (THF) and 2.555 (?) (H? O), respectively, which form a coordination polyhedron with distorted triangular dodecahedrons.