Information card for entry 4328619

Structure parameters

• Formula: C80 H38 Cd I N6 S4
• Calculated formula: C80 H38 Cd I N6 S4
• Title of publication: Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-}
• Authors of publication: Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3420 - 3426
• a: 16.1224 ± 0.0003 Å
• b: 16.1224 ± 0.0003 Å
• c: 21.3629 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5552.9 ± 0.2 ų
• Cell temperature: 95 ± 0.1 K
• Ambient diffraction temperature: 95 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No