Information card for entry 1536870

Structure parameters

• Formula: C88 H76 Br8 Dy2 N8 O18 Zn5
• Calculated formula: C88 H76 Br8 Dy2 N8 O18 Zn5
• Title of publication: High symmetry or low symmetry, that is the question – high performance Dy(iii) single-ion magnets by electrostatic potential design
• Authors of publication: Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 684
• a: 12.6367 ± 0.0006 Å
• b: 16.8613 ± 0.0008 Å
• c: 23.4058 ± 0.0012 Å
• α: 90°
• β: 104.117 ± 0.005°
• γ: 90°
• Cell volume: 4836.5 ± 0.4 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No