Information card for entry 1518900

Structure parameters

• Formula: C56 H72 Br4 Dy4 N20 O14
• Calculated formula: C56 H72 Br4 Dy4 N20 O14
• SMILES: [Dy]12345([OH]6[Dy]789([OH]%10[Dy]%11%12%13([OH]7)([OH2])[n]7ccccc7c7n%11[n]%11[Dy]%146%10([OH]1)([OH2])([n]1c(c%11n7)cccc1)[n]1n%13c(nc1c1[n]%14cccc1)c1[n]%12cccc1)([OH2])([n]1n3c(nc1c1[n]8cccc1)c1[n]2cccc1)[n]1n5c(nc1c1[n]9cccc1)c1[n]4cccc1)[OH2].[Br-].[Br-].[Br-].[Br-].OCC.OCC.O.OCC.OCC.O
• Title of publication: Efficient enhancement of magnetic anisotropy by optimizing the ligand-field in a typically tetranuclear dysprosium cluster.
• Authors of publication: Liu, Jiang; Chen, Yan-Cong; Jiang, Zhong-Xia; Liu, Jun-Liang; Jia, Jian-Hua; Wang, Long-Fei; Li, Quan-Wen; Tong, Ming-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8150 - 8155
• a: 11.6203 ± 0.0009 Å
• b: 12.2946 ± 0.0008 Å
• c: 14.2923 ± 0.001 Å
• α: 75.951 ± 0.002°
• β: 70.984 ± 0.002°
• γ: 68.022 ± 0.002°
• Cell volume: 1773.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No