Information card for entry 7123048

Structure parameters

• Formula: C60 H38 Cu2 Dy F42 N5 O18
• Calculated formula: C60 H38 Cu2 Dy F42 N5 O18
• Title of publication: Improved single-chain-magnet behavior in a biradical-based nitronyl nitroxide-Cu-Dy chain
• Authors of publication: Xie, Jing; Li, Hongdao; Yang, Meng; Sun, Juan; Li, Licun; Sutter, Jean-Pascal
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.944 ± 0.004 Å
• b: 20.52 ± 0.004 Å
• c: 19.008 ± 0.004 Å
• α: 90°
• β: 95.45 ± 0.03°
• γ: 90°
• Cell volume: 8132 ± 3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.0997
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No