Information card for entry 4123816

Structure parameters

• Formula: C60 H42 N6 O12 Rb1.4
• Calculated formula: C60 H42 N6 O12 Rb1.398
• Title of publication: Discovery of the K4 Structure Formed by a Triangular π Radical Anion.
• Authors of publication: Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Matsushita, Michio M.; Tsuchiizu, Masahisa; Reta Mañeru, Daniel; Illas, Francesc; Robert, Vincent; Awaga, Kunio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 24
• Pages of publication: 7612 - 7615
• a: 30.582 ± 0.003 Å
• b: 30.582 ± 0.003 Å
• c: 30.582 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28602 ± 5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 214
• Hermann-Mauguin space group symbol: I 41 3 2
• Hall space group symbol: I 4bd 2c 3
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.1217
• Weighted residual factors for significantly intense reflections: 0.3413
• Weighted residual factors for all reflections included in the refinement: 0.3552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No