Information card for entry 7020484

Structure parameters

• Formula: C52 H48 Cl4 N4 O9 Yb2
• Calculated formula: C52 H48 Cl4 N4 O9 Yb2
• SMILES: [Yb]12345([O]6[Yb]789([O]2c2c(C=[N]1c1c([N]3=Cc3c6cccc3)cccc1)cccc2)(Oc1c(C=[N]8c2c([N]9=Cc3c(O7)cccc3)cccc2)cccc1)[OH2])(OC(=CC(=[O]4)C)C)OC(=CC(=[O]5)C)C.ClCCl.ClCCl
• Title of publication: Ytterbium can relax slowly too: a field-induced Yb2 single-molecule magnet.
• Authors of publication: Lin, Po-Heng; Sun, Wen-Bin; Tian, Yong-Mei; Yan, Peng-Fei; Ungur, Liviu; Chibotaru, Liviu F.; Murugesu, Muralee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12349 - 12352
• a: 15.3969 ± 0.0006 Å
• b: 19.2277 ± 0.0007 Å
• c: 17.8053 ± 0.0006 Å
• α: 90°
• β: 91.771 ± 0.001°
• γ: 90°
• Cell volume: 5268.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No