Information card for entry 7236348

Structure parameters

• Formula: C80 H23 Cl Ir N O2
• Calculated formula: C80 H23 Cl Ir N O2
• Title of publication: Synthesis of modified fullerenes for oxygen reduction reactions
• Authors of publication: María Girón, Rosa; Marco-Martínez, Juan; Bellani, Sebastiano; Insuasty, Alberto; Comas Rojas, Hansel; Tullii, Gabriele; Antognazza, Maria Rosa; Filippone, Salvatore; Martín, Nazario
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 37
• Pages of publication: 14284
• a: 34.7078 ± 0.0006 Å
• b: 34.7078 ± 0.0006 Å
• c: 18.0586 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21754 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No