Information card for entry 2105067

Structure parameters

• Common name: C~60~^.^4benzene
• Formula: C84 H24
• Calculated formula: C84 H24
• Title of publication: An order‒disorder phase transition in the structure of C~60~·4benzene
• Authors of publication: Olmstead, Marilyn M.; Balch, Alan L.; Lee, Hon Man
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: 66 - 70
• a: 9.8842 ± 0.0012 Å
• b: 15.0159 ± 0.0019 Å
• c: 34.691 ± 0.004 Å
• α: 65.377 ± 0.003°
• β: 88.098 ± 0.003°
• γ: 74.812 ± 0.002°
• Cell volume: 4500.2 ± 1 ų
• Cell temperature: 13 ± 2 K
• Ambient diffraction temperature: 13 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2018
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.71
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes