-
在SYNTEX四圆衍射仪上收集到2788个独立的衍射点。晶体属单斜晶系,空间群为C2h5-P21/a,a=12.006(2)?,b=8.398(2)?,c=14.261(5)?,β=93.98(2)°,Z=2。铂放在对称中心的特殊位置上,然后用差值Fourier法得到两套非氢原子坐标位置,这是由于铂参数特殊化所致。首先我们运用结构化学的键长、键角知识,选择了两个氯原子合理的坐标参数,而将其余成对的非氢原子坐标参数都输入,令其坐标参数固定,而将占有率各给0.5,并同各向同性热参数一起参与最小二乘修正,结果两套坐标的原子占有率明显分化,其中一套占有率上升接近于1,而另一套占有率下降,通过这一筛选,确定了结构的初始模型,用块矩阵最小二乘法修正,最后的R因子为0.038。结构测定表明铂采用dsp2杂化轨道成键,取四配位的正方形构型。在晶体中有机部分和[PtCl4]2-络离子是靠氮原子和氯原子之间形成氢键而联系起来的,因此此化合物是苯丙氨酸乙酯和四氯合铂离子的加合物。The space group of the crystal of the title compound is P2/a, with unit cell constants a=12.006, b = 8.398, c= 14.261? ,β= 93.98°. the cell contains two formula units of [phCH2CH(NH3)+CO2C2H5]2? [PtCl4]. The structre was determined from 1759 observed reflections and refined by the block-diagonal least-squares method to R = 0.038. The platinum atoms occupy one set of symmetrical center special positions. The [PtCl4]2- ion is coplanar with Pt-Cl bond, the bond lengths are 2.304(3) and 2.294(3)?, The discreate phenylalanine ethyl ester does not coordinate to the platinum atoms. The [PtCl4]2- ion and [phCH2CH(NH3)+CO2C2H5] ions are connected by ionic fores and hydrogen bonds between the nitrogen and chlorine atoms. Therefore this compound is an adduct of phenylalanine ethylester with anion of chloropladnite.
计量
- 文章访问数:6929
- PDF下载量:650
- 被引次数:0
下载: