Information card for entry 4340258

Structure parameters

• Formula: C45 H65 Cu N2 O11 Tb
• Calculated formula: C45 H65 Cu N2 O11 Tb
• SMILES: [Tb]123456([O]7[Cu]89([O]1c1c(cccc1C=[N]8CC(C[N]9=Cc1c7c(ccc1)[O]4C)(C)C)[O]2C)[O]=C(O3)OC)([O]=C(C=C(O5)C(C)(C)C)C(C)(C)C)OC(=CC(=[O]6)C(C)(C)C)C(C)(C)C
• Title of publication: Heterodinuclear Cu-Tb single-molecule magnet.
• Authors of publication: Costes, Jean-Pierre; Dahan, Françoise; Wernsdorfer, Wolfgang
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 5 - 7
• a: 13.399 ± 0.0015 Å
• b: 14.7829 ± 0.0017 Å
• c: 12.4177 ± 0.0013 Å
• α: 95.274 ± 0.013°
• β: 95.28 ± 0.013°
• γ: 92.053 ± 0.014°
• Cell volume: 2436.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0261
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No