Information card for entry 7237257

Structure parameters

• Common name: C60-PyP
• Formula: C78 H14 Cl N3
• Calculated formula: C78 H14 Cl N3
• Title of publication: Pyridine-functionalized fullerene additive enabling coordination interactions with CH3NH3PbI3 perovskite towards highly efficient bulk heterojunction solar cells
• Authors of publication: Zhen, Jieming; Zhou, Weiran; Chen, Muqing; Li, Bairu; Jia, Lingbo; Wang, Mingtai; Yang, Shangfeng
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 2754
• a: 19.9107 ± 0.0003 Å
• b: 10.2319 ± 0.0002 Å
• c: 20.5996 ± 0.0003 Å
• α: 90°
• β: 91.184 ± 0.001°
• γ: 90°
• Cell volume: 4195.74 ± 0.12 ų
• Cell temperature: 212.99 ± 0.1 K
• Ambient diffraction temperature: 212.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No