Information card for entry 7102180

Structure parameters

• Formula: C72 F36
• Calculated formula: C72 F36
• Title of publication: Examination of intermolecular electronic interactions in the crystal structure of C60(CF3)12 by experimental electron density determination.
• Authors of publication: Checińska, Lilianna; Troyanov, Sergey I; Mebs, Stefan; Hübschle, Christian B; Luger, Peter
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 39
• Pages of publication: 4003 - 4005
• a: 20.72 ± 0.003 Å
• b: 20.72 ± 0.003 Å
• c: 9.729 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3617.3 ± 0.2 ų
• Cell temperature: 20 ± 2 K
• Number of distinct elements: 2
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections included in the refinement: 0.0221
• Goodness-of-fit parameter for all reflections included in the refinement: 2.0539
• Diffraction radiation wavelength: 0.71068 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No