Information card for entry 7013269

Structure parameters

• Common name: C60*2TBPD*TDAE
• Formula: C138 H88 N8
• Calculated formula: C138 H88 N8
• Title of publication: Ionic multi-component complexes containing TDAE?+ and C60?? radical ions and neutral D1 molecules: D1?TDAE?C60
• Authors of publication: Konarev, Dmitri V.; Neretin, Ivan S.; Saito, Gunzi; Slovokhotov, Yury L.; Otsuka, Akihiro; Lyubovskaya, Rimma N.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 3886
• a: 13.627 ± 0.002 Å
• b: 13.627 ± 0.002 Å
• c: 24.662 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4579.6 ± 1.3 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 3
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections: 0.33
• Weighted residual factors for significantly intense reflections: 0.2839
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No