Information card for entry 4117141

Structure parameters

• Formula: C76 H17 Co
• Calculated formula: C76 H17 Co
• Title of publication: Triple Scission of a Six-Membered Ring on the Surface of C60 via Consecutive Pericyclic Reactions and Oxidative Cobalt Insertion
• Authors of publication: María-José Arce; Argimiro L. Viado; Yi-Zhong An; Saeed I. Khan; Yves Rubin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 3775 - 3776
• a: 15 ± 0.01 Å
• b: 13.53 ± 0.01 Å
• c: 19.95 ± 0.01 Å
• α: 90°
• β: 111.53 ± 0.02°
• γ: 90°
• Cell volume: 3766 ± 4 ų
• Cell temperature: 156 K
• Ambient diffraction temperature: 156 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for significantly intense reflections: 2.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No