Information card for entry 4103559

Structure parameters

• Formula: C294.89 H322.38 Cl29.11 N24 Ni4 O13.3
• Calculated formula: C294.894 H322.384 Cl29.106 N24 Ni4 O13.298
• 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: 17.517 ± 0.002 Å
• b: 21.513 ± 0.002 Å
• c: 22.412 ± 0.003 Å
• α: 93.557 ± 0.002°
• β: 111.81 ± 0.002°
• γ: 109.403 ± 0.002°
• Cell volume: 7228.1 ± 1.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2386
• 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