Information card for entry 4103560

Structure parameters

• Formula: C416 H216 Cl12 N24 Ni4
• Calculated formula: C416 H216 Cl12 N24 Ni4
• Title of publication: A Porphyrin Nanobarrel That Encapsulates C60
• Authors of publication: Jianxin Song; Naoki Aratani; Hiroshi Shinokubo; Atsuhiro Osuka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16356 - 16357
• a: 26.506 ± 0.003 Å
• b: 27.945 ± 0.003 Å
• c: 26.552 ± 0.003 Å
• α: 90°
• β: 90.049 ± 0.003°
• γ: 90°
• Cell volume: 19667 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1698
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.794
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No