Information card for entry 1543314

Structure parameters

• Formula: C80 H49 Cs2 Dy2 N24 O8.5
• Calculated formula: C80 H49 Cs2 Dy2 N24 O8.5
• Title of publication: Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field
• Authors of publication: Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 5020
• a: 19.5421 ± 0.0004 Å
• b: 19.8322 ± 0.0004 Å
• c: 20.8863 ± 0.0004 Å
• α: 90°
• β: 97.266 ± 0.002°
• γ: 90°
• Cell volume: 8029.8 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No