Information card for entry 7113502

Structure parameters

• Common name: fullerene-C60 bromoform solvate
• Chemical name: buckminsterfullerene-C60 bromoform
• Formula: C61 H Br3
• Calculated formula: C61 H Br3
• Title of publication: Characterisation of a new 1:1 (C60)(CHBr3) intercalation complex
• Authors of publication: Hardie, Michaele J.; Torrens, Ralph; Raston, Colin L.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1854 - 1855
• a: 16.3823 ± 0.0007 Å
• b: 19.1959 ± 0.001 Å
• c: 10.0603 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3163.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.183
• Residual factor for significantly intense reflections: 0.137
• Weighted residual factors for significantly intense reflections: 0.3356
• Weighted residual factors for all reflections included in the refinement: 0.3795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103805
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No