Information card for entry 4346347

Structure parameters

• Formula: C52 H40 Dy4 N24 O18
• Calculated formula: C52 H40 Dy4 N24 O18
• SMILES: [n]12ccccc1c1[n]3[Dy]45672([O]=N(=O)O4)[n]2ccccc2c2[n]5n4c(c5cccc[n]5[Dy]5894(n3c(n1)c1cccc[n]91)([OH][Dy]1349([n]%10ccccc%10c%10[n]1n1c(c%11cccc[n]%11[Dy]%11%121(n1[n]4c(nc1c1cccc[n]%121)c1[n]3cccc1)([OH]6)([O]=C(O7)C)ON(=[O]%11)=O)n%10)([O]=C(O5)C)[O]=N(=O)O9)ON(=[O]8)=O)n2
• Title of publication: Single-Molecule-Magnet Behavior in a [2 × 2] Grid Dy(III)4 Cluster and a Dysprosium-Doped Y(III)4 Cluster.
• Authors of publication: Guo, Peng-Hu; Liu, Jiang; Wu, Zi-Hao; Yan, Hua; Chen, Yan-Cong; Jia, Jian-Hua; Tong, Ming-Liang
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 8087 - 8092
• a: 11.9694 ± 0.0004 Å
• b: 17.0199 ± 0.0004 Å
• c: 15.503 ± 0.0005 Å
• α: 90°
• β: 92.784 ± 0.001°
• γ: 90°
• Cell volume: 3154.51 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No