Citation: Hong Xiang WU, Li Dun MA. Ab initio Structure Determination of [Co(NH₃)₅Br]Br₂ Using Conventional X-ray Powder Diffraction[J]. Chinese Chemical Letters, ;1997, 8(7): 647-648. shu

Ab initio Structure Determination of [Co(NH₃)₅Br]Br₂ Using Conventional X-ray Powder Diffraction

Hong Xiang WU ,
Li Dun MA

Center for Analysis and Measuremnt, Fudan University, Shanghai, 200433

Received Date: 20 December 1996

Fund Project: Project supported by the National Natural Science Foundation of China(NSFC) NO. 29573098.

The crystal structure of [Co(NH₃)₅Br]Br₂ 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=6.9400Å,V=1017.47Å³,F₃₀=93(0.0075,43),M₂₀=49,Z=4.Space group is Pnma.The structure agreement factors are:R_p=0.066,Rwp=0.090,R_F=0.041,R_B=0.042.
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