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1,3,7,10,14,17,21,28,31,42,52,55-Dodeca-kis(trifluoro-meth-yl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodeca-hydro-(C(60)-I)[5,6]fullerene.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 1): o159, 2007 Dec 06.
Artigo em Inglês | MEDLINE | ID: mdl-21200724
The title compound, C(72)F(36), is one of four isomers of C(60)(CF(3))(12) for which crystal structures have been obtained. The fullerene mol-ecule has an idealized I(h) C(60) core with the 12 CF(3) groups arranged in an asymmetric fashion on two ribbons of edge-sharing C(6)(CF(3))(2) hexa-gons, a para-meta-para-para-para-meta-para ribbon and a para-meta-para ribbon, giving an overall pmp(3)mp,pmp structure. There are no cage Csp(3)-Csp(3) bonds. The F atoms of two CF(3) groups are disordered over two positions; the site occupancy factors are 0.85/0.15 and 0.73/0.27. There are intra-molecular F⋯F contacts between pairs of CF(3) groups on the same hexa-gon that range from 2.521 (3) to 2.738 (4) Å.





Texto completo: Disponível Coleções: Bases de dados internacionais Base de dados: MEDLINE Idioma: Inglês Revista: Acta Crystallogr Sect E Struct Rep Online Ano de publicação: 2007 Tipo de documento: Artigo