Information card for entry 7021831

Structure parameters

• Formula: C50 H44 N4 O9 Tb2
• Calculated formula: C50 H44 N4 O9 Tb2
• SMILES: [Tb]12345([O]6[Tb]789(Oc%10c(C=[N]9c9c([N]7=Cc7c(O8)cccc7)cccc9)cccc%10)([O]1c1c(C=[N]4c4c([N]5=Cc5c6cccc5)cccc4)cccc1)[OH2])(OC(=CC(=[O]3)C)C)OC(=CC(=[O]2)C)C
• Title of publication: Series of dinuclear and tetranuclear lanthanide clusters encapsulated by salen-type and β-diketionate ligands: single-molecule magnet and fluorescence properties.
• Authors of publication: Sun, Wen-Bin; Han, Bing-Lu; Lin, Po-Heng; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Murugesu, Muralee; Yan, Peng-Fei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13397 - 13403
• a: 12.9763 ± 0.0005 Å
• b: 19.4129 ± 0.0007 Å
• c: 19.328 ± 0.0007 Å
• α: 90°
• β: 106.246 ± 0.001°
• γ: 90°
• Cell volume: 4674.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No