Information card for entry 4328524

Structure parameters

• Formula: C19 H28 Cl3 Cu N2 O8 Tb
• Calculated formula: C19 H28 Cl3 Cu N2 O8 Tb
• SMILES: [Tb]123([O]4[Cu]56(Cl)[O]1c1c([O]2C)cccc1C=[N]6CC[N]5=Cc1cccc([O]3C)c14)(Cl)([OH2])([OH2])[OH2].OC.[Cl-]
• Title of publication: Polyoxometalate-Supported 3d-4f Heterometallic Single-Molecule Magnets
• Authors of publication: Xiaojia Feng; Wenzhe Zhou; Yangguang Li; Hongshan Ke; Jinkui Tang; Rodolphe Clérac; Yonghui Wang; Zhongmin Su; Enbo Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2722 - 2724
• a: 9.2881 ± 0.0002 Å
• b: 19.0737 ± 0.0003 Å
• c: 17.2241 ± 0.0004 Å
• α: 90°
• β: 122.042 ± 0.002°
• γ: 90°
• Cell volume: 2586.54 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No