引用本文:
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.
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.
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.
Ab initio Structure Determination of [Co(NH3)5Br]Br2 Using Conventional X-ray Powder Diffraction
摘要:
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:Rp=0.066,Rwp=0.090,RF=0.041,RB=0.042.
English
Ab initio Structure Determination of [Co(NH3)5Br]Br2 Using Conventional X-ray Powder Diffraction
Abstract:
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:Rp=0.066,Rwp=0.090,RF=0.041,RB=0.042.
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