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本文报导了(Cp_2ErCl(THF)]_2的晶体结构,晶体属单斜晶系,P2_1/c空间群。晶胞参数为a=8.141(2),b=21.218(6),c=8.597(2),β=107.77(2)°;V=1414.1(6) ~3;Z=2,D_c=1.90g/cm~3,F(000)=780,μ_c=66.3cm~(-1)(MoK_a)。最终的偏离因子R=0.047,R_(to)=0.048。结构分析表明,该配合物是以两个氯离子与金属离子桥联的二聚体形式存在。四氢呋喃中的氧原子同金属离子键合,Er—O键长为2.490(6),两个环戊二烯中的所有碳原子同金属离子间的平均键长为2.649,Er-Cl=2.666(3),Er—Cl-a=2.797(3),Er-Er_a=4.42,Cl-Er-Cl_a键角为72.2°。
In this paper, the crystal structure of (Cp_2ErCl (THF)] _2 is reported. The crystal belongs to the monoclinic space group P2_1 / c with unit cell parameters of a = 8.141 (2), b = 21.218 ), β = 107.77 (2) °, V = 1414.1 (6) -3, Z = 2, Dc = 1.90 g / cm3, F000 = 780 and μ_c = 66.3 cm -1 ). The final deviation factor R = 0.047, R_ (t0) = 0.048. Structural analysis showed that the complex exists in the form of a dimer of two chloride ions and metal ions bridged. The oxygen atom in tetrahydrofuran is the same as the metal ion The bond length and the Er-O bond length are 2.490 (6). The average bond length between all carbon atoms in the two cyclopentadienes and metal ions is 2.649, Er-Cl = 2.666 (3) = 2.797 (3), Er-Er_a = 4.42, and the bond angle of Cl-Er-Cl_a is 72.2 °.