摘要
CuXP(p OCH3Ph) 3]4·1 .5CH3OH (X =Br,I)的合成和Cu4Br4C85.5H90 O1 3.5P4的晶体结构。该晶体属于三方晶系 ,空间群为R3,晶胞参数为 :a =2 3.959(2 ) ,c =2 6.376(4) ,γ =1 2 0 .0 0°,V =1 31 1 2 (3) 3,μ(MoKα) =2 .92 1mm- 1 ,Z =6,Dc=1 .543g .cm- 3,F(0 0 0 ) =61 62 ,R =0 .0 4 1 9,wR =0 .0 792 .可观察衍射点 471 3个 (I 2σ(I) )。该分子中 4个Cu原子和 4个Br原子构成立方烷结构 ,每个Cu与 3个Br原子 ,1个P(p OCH3Ph) 3中的P原子形成畸变四面体配位。
The title compound [CuXP(p-OCH 3Ph) 3] 4·1.5CH 3OH (X=Br, I) was synthesized and the structure of [CuBrP(p-OCH 3Ph) 3] 4·1.5CH 3OH (M r= 2031.25) was determined by X-ray diffraction. The crystal belongs to the trigonal system with space group R3. The cell parameters are:a=23.959(2), c=26\^376(4) , γ=120.00°, V=13112(3) 3, μ(MoKα)=2.921mm -1 , Z=6, D c=1.543g.cm -3 , F(000)=6162. Final R and wR are 0.0419 and 0.0792, respectively for 4713 (I2σ(I)) observed reflections~. Four Cu atoms and four Br atoms form one cubane-like structure. Each Cu atom is coordinated to one P atom and three Br atoms. There is a C 3 axis across the Cu(2), Br(2) and P(2) atoms.
基金
国家自然科学基金!项目资助 (No .2 96 310 40 )
北京市科技新星项目!资助 (No .95 2 87180 0 )
