制得了cis—Mo(DMF)_3Br_3(DMF指N,N—二甲基甲酰胺)的一种异构体并用X射线三维衍射数据进行了晶体结构测定。晶体的空间群属Pca2_1。晶胞大小为a=20.157(4),b=13.950(4),c=13.142(4)。晶体的测量密度为2.02g/cm~3,与Z=8相符。结构用直接法-Fourier合成法解得,最终R因子为0.060。结构分析表明,晶体仍为cis-Mo(DMF)_3Br_3,分子中Mo周围的三个Br原子和三个DMF配位基的O原子仍按顺式排列成近八面体,但DMF的取向不规则。分子不再具有对称性。 An isomer of cis-Mo (DMF) _3Br_3 (DMF refers to N, N-dimethylformamide) was prepared and its crystal structure was determined by X-ray diffraction. Crystal space group Pca2_1. The unit cell size is a = 20.157 (4), b = 13.950 (4), c = 13.142 (4). The measured density of the crystal is 2.02 g / cm ~ 3, which is consistent with Z = 8. The structure was solved by direct method-Fourier synthesis, and the final R factor was 0.060. Structural analysis shows that the crystal is still cis-Mo (DMF) _3Br_3. The O atoms of the three Br atoms and the three DMF ligands around Mo in the molecule are still arranged in the near octahedral order, but the orientation of DMF is irregular . Molecules no longer have symmetry.