Information card for entry 7106913

Structure parameters

• Formula: C52 H50 Cl4 Dy2 N4 O9
• Calculated formula: C52 H50 Cl4 Dy2 N4 O9
• SMILES: c12ccccc1C=[N]1c3ccccc3[N]3=Cc4ccccc4[O]4[Dy]6713([O]2[Dy]1384([N](=Cc4c(cccc4)O3)c3ccccc3[N]1=Cc1ccccc1O8)[OH2])([O]=C(C)C=C(C)O6)[O]=C(C)C=C(C)O7.C(Cl)Cl.C(Cl)Cl
• 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: 15.448 ± 0.004 Å
• b: 19.37 ± 0.004 Å
• c: 17.834 ± 0.005 Å
• α: 90°
• β: 91.45 ± 0.012°
• γ: 90°
• Cell volume: 5335 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No