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四环戊二烯基二苯氧基-μ-氧合二锆([(η~5-C_5H_5)_2Zr(OC_6H_5)]_2O)晶体空间群为C2/C,晶胞参数为:a=26.103,b=8.790,c=16.097A,β=126.410°,Z=4。初结构经最小二乘修正后R因子降至0.049。结果分析给出了两个环戊二烯基平面的夹角为52.1°,锆—氧—锆桥键(Zr—O—Zr)夹角为163.7°。配合已测定分子结构的同类化合物的对应结构参数,讨论了在该类化合物中配位体对分子构型的影响及Zr—O—Zr桥键的特征。
The space group of the tetracyclopentadienyl diphenyloxy-μ-oxyzirconium (C2H5) 2Zr (OC_6H_5) _2O) crystal was C2 / C with unit cell parameters of a = 26.103, b = 8.790, c = 16.097A, β = 126.410 °, Z = 4. The initial structure is reduced by R factor to 0.049 after least squares correction. The results show that the angle between the two cyclopentadienyl planes is 52.1 ° and the included angle of zirconium-oxygen-zirconium bridge (Zr-O-Zr) is 163.7 °. In accordance with the corresponding structural parameters of the same type of compounds with the determined molecular structure, the effects of the ligands on the molecular configuration and the characteristics of the Zr-O-Zr bridge are discussed.