Information card for entry 4345851

Structure parameters

• Formula: C98 Cl21.25
• Calculated formula: C98 Cl21.256
• Title of publication: New Isolated-Pentagon-Rule Isomers of Fullerene C98 Captured as Chloro Derivatives.
• Authors of publication: Jin, Fei; Yang, Shangfeng; Troyanov, Sergey I.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 4780 - 4783
• a: 10.613 ± 0.001 Å
• b: 14.315 ± 0.001 Å
• c: 22.588 ± 0.001 Å
• α: 95.82 ± 0.005°
• β: 90.535 ± 0.003°
• γ: 103.84 ± 0.005°
• Cell volume: 3312.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1495
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.895 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No