Information card for entry 4124922

Structure parameters

• Formula: C56 H117 Cl3 Dy O10 P3
• Calculated formula: C56 H117 Cl3 Dy O10 P3
• SMILES: [Dy]([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)([OH2])([OH2])([OH2])([OH2])[OH2].[Cl-].[Cl-].[Cl-].P(=O)(C1CCCCC1)(C1CCCCC1)C1CCCCC1.OCC.O
• Title of publication: Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.
• Authors of publication: Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 8
• Pages of publication: 2829 - 2837
• a: 11.7472 ± 0.0005 Å
• b: 29.5882 ± 0.0011 Å
• c: 19.4338 ± 0.0008 Å
• α: 90°
• β: 97.434 ± 0.002°
• γ: 90°
• Cell volume: 6698 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1088
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No