一个中性半开口立方烷簇合物[MoOS_3Cu_3I(PPh_3)_3]·C_9H_7N·H_2O的合成和结构

Syntehsis and Structure of a Neutral Half-Open Cubane-like Cluster: [MoOS_3Cu_3I(PPh_3)_3]·C_9H_7N·H_2O

本文报道了一个含卤素和三苯基膦的中性半开口立方烷簇合物 [MoOS3Cu3I(PPh3) 3]·C9H7N·H2 O的合成和晶体结构 .它是通过将CuI ,(NH4 ) 2 MoO2 S2 ,PPh3和喹啉在DMF溶液中反应制得 .簇合物晶体属于单斜晶系 ,空间群为P2 1/c ,晶胞参数为 :a =1 2 0 0 5nm ,b =2 86 4 1nm ,c =1 92 6 1nm ,β =10 1 10 (2 )° ,V =6 4 984nm3,μ(MoKα) =1 84 3mm- 1,Z =4 ,Dc=1 4 92g·cm- 3,F(0 0 0 ) =2 92 0 ,R =0 84 4 4,Rw =0 0 94 4 ,Mr =1459 71.该晶体的结构是一个缺一条Cu2…I边的扭曲立方体 ,它的四个顶点由 [MoOS3]2 - 占据 ,而其余顶点由一个碘和三个Cu原子占据 .每个Cu与一个PPh3配位 .

The crystal structure of the neutral half\|open cubane\|like Mo\|Cu\|S cluster \[MoOS\-3Cu\-3I(PPh\-3)\-3]·C\-9H\-7N·H\-2O(I) was characterized by X\|ray diffractometer.The complex (I) crystallizes in the monoclinic space group P2\-1/c with a =1 200?5?nm, b =2 864?1?nm, c =1 926?1?nm, β =101 10(2)°, V =6 498?4?nm\+3, μ (MoK\-α)=1 843?mm -1 , Z =4, D \-c=1 492?g/cm\+3, F (000)=2?920, R =0 084?4, R w=0 094?4, M r=1?549 71.The structure can be described as a strongly distorted cube with the side Cu2…I absent,with four corners formed by the \[MoOS\-3\] 2- ligand.The remaining corners are occupied by one iodine and three coppper atoms.Each copper atom is bonded to one PPh\-3 ligand.