Information card for entry 4001009

Structure parameters

• Formula: C60 H30 B2 F24 O6
• Calculated formula: C60 H30 B2 F24 O6
• Title of publication: Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor
• Authors of publication: Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 11
• Pages of publication: 2226
• a: 25.0681 ± 0.0008 Å
• b: 9.2334 ± 0.0003 Å
• c: 23.8407 ± 0.0008 Å
• α: 90°
• β: 100.205 ± 0.0005°
• γ: 90°
• Cell volume: 5431 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No