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Pr(TTA)_4·PyH晶体属单斜晶系,空间群为P2_1/a.晶胞参数a=18.363(6)(?),b=22.150(7)(?),c=10.910(4)(?),β=107.38(25)°,Z=4.分子式为:Pr(C_8O_2F_3H_4S)_4·PyH,分子量M=1105.78.X射线衍射强度数据由PW1100四园衍射仪收集(CuKa),独立衍射点4248个.用Patterson法和Fourier综合法测定其晶体结构,用块矩阵最小二乘法修正结构参数,差值Fourier确定氢原子坐标,最终R=0.088.结构中,镨原子被四个TTA中的八个氧原子所配位,其配位多面体呈四方反柱.镨与八个氧的平均距离为2.45(?),氧-镨-氧键角平均为70.87°.镨与吡啶中的氮相距4.43(?).吡啶中的氮与TTA_3中的一个氧形成氢键,键长为2.98(?)
Pr (TTA) _4 · PyH is a monoclinic with a space group of P2_1 / a. The cell parameters a = 18.363 (6) (?), B = 22.150 (7) The molecular formula is: Pr (C_8O_2F_3H_4S) _4 · PyH, molecular weight M = 1105.78.X-ray diffraction intensity data were collected by PW1100 four-cell diffractometer (CuKa) Point 4248. With Patterson method and Fourier synthesis method to determine its crystal structure, block matrix least squares method to amend the structural parameters, the difference Fourier to determine the hydrogen atom coordinates, the final R = 0.088. In the structure, praseodymium atoms were four TTA Eight oxygen atoms are coordinated and the coordination polyhedron is tetragonal. The average distance between praseodymium and eight oxygen is 2.45 (?), And the average oxygen-praseodymium-oxygen bond angle is 70.87 °. 4.43 (?). The nitrogen in pyridine forms a hydrogen bond with one oxygen in TTA_3, the bond length is 2.98 (?)