Information card for entry 4110728

Structure parameters

• Formula: C255.5 H119.5 Cl5 Co2 N13.5 O8
• Calculated formula: C255.5 H119.5 Cl5 Co2 N13.5 O8
• Title of publication: Negatively Charged π-(C60-)2 Dimer with Biradical State at Room Temperature
• Authors of publication: Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Gunzi Saito; Rimma N. Lyubovskaya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9292 - 9293
• a: 13.798 ± 0.0005 Å
• b: 24.314 ± 0.0014 Å
• c: 25.605 ± 0.0015 Å
• α: 90°
• β: 100.336 ± 0.003°
• γ: 90°
• Cell volume: 8450.7 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No