Information card for entry 7021834

Structure parameters

• Formula: C66 H78 Dy4 N6 O18
• Calculated formula: C66 H78 Dy4 N6 O18
• SMILES: C1C[N]2=Cc3c([O]4[Dy]56789(OC(=CC(=[O]5)C)C)[OH]5[Dy]%10%1124([N]1=Cc1c(cccc1)[O]%10[Dy]124%105(OC(=CC(=[O]2)C)C)[O]2c5c(C=[N]%12CC[N]%13=Cc%14c(cccc%14)[O]8[Dy]82%12%13([OH]91)([O]=C(C=C(O8)C)C)[O]4=C(C)C=C(O%10)C)cccc5)([O]=C(C=C(O%11)C)C)[O]6=C(C)C=C(O7)C)cccc3.CC#N.N#CC
• 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: 11.9873 ± 0.0005 Å
• b: 12.6398 ± 0.0005 Å
• c: 14.0357 ± 0.0009 Å
• α: 112.456 ± 0.001°
• β: 101.556 ± 0.001°
• γ: 105.777 ± 0.001°
• Cell volume: 1777.28 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No