Information card for entry 7053148

Structure parameters

• Formula: C74 H22 N3
• Calculated formula: C74.012 H22 N3
• Title of publication: Structure and magnetic properties of the ionic fullerene salt (TMP+)·(C60˙−)·C6H5CN containing layers of monomeric C60˙− radical anions
• Authors of publication: Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 8
• Pages of publication: 2521
• a: 10.3941 ± 0.0005 Å
• b: 19.4479 ± 0.001 Å
• c: 19.9677 ± 0.0009 Å
• α: 90°
• β: 91.96 ± 0.004°
• γ: 90°
• Cell volume: 4034 ± 0.3 ų
• Cell temperature: 119.9 ± 0.6 K
• Ambient diffraction temperature: 119.9 ± 0.6 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 all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No