Information card for entry 4130700

Structure parameters

• Formula: C72 H68 Al2 Cl4 F48 N2 O12
• Calculated formula: C72 H68 Al2 Cl4 F48 N2 O12
• Title of publication: Magnetic Bistability in a Discrete Organic Radical.
• Authors of publication: Li, Tao; Tan, Gengwen; Shao, Dong; Li, Jing; Zhang, Zaichao; Song, You; Sui, Yunxia; Chen, Sheng; Fang, Yong; Wang, Xinping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 32
• Pages of publication: 10092 - 10095
• a: 10.0924 ± 0.0007 Å
• b: 22.1142 ± 0.0015 Å
• c: 20.0895 ± 0.0014 Å
• α: 90°
• β: 92.8778 ± 0.0019°
• γ: 90°
• Cell volume: 4478 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No