Information card for entry 4328287

Structure parameters

• Formula: C52 H48 Dy4 N24 O18
• Calculated formula: C52 H48 Dy4 N24 O18
• SMILES: n12[n]3c4nc1c1[n](cccc1)[Dy]15672(ON(=O)=O)n2c(c8cccc[n]18)nc1c8cccc[n]8[Dy]83([n]21)([OH]5[Dy]1235(n9c(c%10cccc[n]1%10)nc1c%10cccc[n]%10[Dy]%10([n]91)([n]1n2c(nc1c1cccc[n]1%10)c1[n]3cccc1)([OH]65)([OH]7)(ON(=O)=O)[OH]CC)([OH]8)ON(=O)=O)(ON(=O)=O)([OH]CC)[n]1c4cccc1
• Title of publication: The First {Dy4} Single-Molecule Magnet with a Toroidal Magnetic Moment in the Ground State
• Authors of publication: Peng-Hu Guo; Jun-Liang Liu; Ze-Min Zhang; Liviu Ungur; Liviu F. Chibotaru; Ji-Dong Leng; Fu-Sheng Guo; Ming-Liang Tong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1233 - 1235
• a: 12.7886 ± 0.0007 Å
• b: 10.9248 ± 0.0006 Å
• c: 23.734 ± 0.0012 Å
• α: 90°
• β: 104.032 ± 0.001°
• γ: 90°
• Cell volume: 3217 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No