Information card for entry 7106914

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]4C(C)=CC(=[O]%10)C)cccc5)([O]=C(C=C(O%11)C)C)[O]6C(C)=CC(=[O]7)C)cccc3.CC#N.N#CC
• Title of publication: An unsymmetrical coordination environment leading to two slow relaxation modes in a Dy2 single-molecule magnet
• Authors of publication: Po-Heng Lin; Wen-Bin Sun; Mang-Fei Yu; Guang-Ming Li; Peng-Fei Yan; Muralee Murugesu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10993
• 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