Information card for entry 7115962

Structure parameters

• Formula: C100 Cl22 Sb2
• Calculated formula: C100 Cl21.998 Sb2.0016
• Title of publication: Capturing an unstable C100 fullerene as chloride, C100(1)Cl12, with a nanotubular carbon cage
• Authors of publication: Maria A. Fritz; Erhard Kemnitz; Sergey I. Troyanov
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14577
• a: 32.422 ± 0.002 Å
• b: 12.092 ± 0.001 Å
• c: 10.021 ± 0.001 Å
• α: 90°
• β: 106.81 ± 0.01°
• γ: 90°
• Cell volume: 3760.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.85507 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No