Information card for entry 4124921

Structure parameters

• Formula: C72 H142 Br3 Dy O9 P4
• Calculated formula: C72 H142 Br3 Dy O9 P4
• SMILES: [Dy]([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)([OH2])([OH2])([OH2])([OH2])[OH2].[Br-].[Br-].[Br-].P(=O)(C1CCCCC1)(C1CCCCC1)C1CCCCC1.P(=O)(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• 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: 40.4082 ± 0.0015 Å
• b: 14.2356 ± 0.0007 Å
• c: 33.0134 ± 0.0014 Å
• α: 90°
• β: 102.663 ± 0.001°
• γ: 90°
• Cell volume: 18528.5 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No