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THE CTYSTAL STRUCTURE OF m-FERROCENYLACETOOHENONE

THE CTYSTAL STRUCTURE OF m-FERROCENYLACETOOHENONE
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摘要 The title compound C18H16FeO (Mr=304. 17) crystallizes in the mono-clinic system,space group P21/c with cell constants a= 14. 428(3),b=9. 939(8),c = 10. 027(5) A .B=93. 73(1),Z=4,Dc=1.41 gcm-3 and V= 1435. 0A 3.The structure is solved by direct methods and refined by least-squares technique to final R=0. 038 and Rw=0.051 based on 2413 independent reflections with I>3o(I). Result shows that both the Cp rings are approximately parallel with dihedral angle of 1. 2 ,The phenyl ring is somewhat tilted from the Cp ring linked to it with a dihedral angle of 8. 36 . The oxygen and carbon atoms of the aceto group are almost co-planar with the phenyl ring. The title compound C18H16FeO (Mr=304. 17) crystallizes in the mono-clinic system,space group P21/c with cell constants a= 14. 428(3),b=9. 939(8),c = 10. 027(5) A .B=93. 73(1),Z=4,Dc=1.41 gcm-3 and V= 1435. 0A 3.The structure is solved by direct methods and refined by least-squares technique to final R=0. 038 and Rw=0.051 based on 2413 independent reflections with I>3o(I). Result shows that both the Cp rings are approximately parallel with dihedral angle of 1. 2 ,The phenyl ring is somewhat tilted from the Cp ring linked to it with a dihedral angle of 8. 36 . The oxygen and carbon atoms of the aceto group are almost co-planar with the phenyl ring.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 1989年第3期212-214,共3页 结构化学(英文)
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