Ab initio structure determination of [Co(NH3)(5)Br]Br-2 using conventional X-ray powder diffraction

被引：0
|
作者：
Wu, HX [1 ]
Ma, LD [1 ]
机构：
[1] FUDAN UNIV,CTR ANAL & MEASUREMENT,SHANGHAI 200433,PEOPLES R CHINA
来源：
CHINESE CHEMICAL LETTERS | 1997年 / 8卷 / 07期
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The crystal structure of [Co(NH3)(5)Br]Br-2 has been determined ab initio from the conventional X-ray powder diffraction data. The approximate structure with all 7 independent non-H atoms was solved by direct methods. The final orthorhombic unit-cell parameters after Rietveld refinement are: a=13.6927, b=10.7071, c=6.9400 Angstrom, V=1017.47 Angstrom(3), F-30=93(0.0075, 43, M-20=49, Z=4 Space group is Pnma. The structure agreement factors are: Rp=0.066, Rwp=0.090, R-F=0.041: R-B=0.042.
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页码：647 / 648
页数：2
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