Information card for entry 1540697

Structure parameters

• Chemical name: 1-Dy
• Formula: C27 H34 As Dy
• Calculated formula: C27 H34 As Dy
• SMILES: [Dy]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[c]4%13C)([cH]1[cH]5[cH]6[cH]7[c]81C)[cH]1[c]%12([cH]%11[cH]%10[cH]91)C.[AsH2]c1c(cc(cc1C)C)C
• Title of publication: Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets
• Authors of publication: Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 2128
• a: 8.1717 ± 0.0003 Å
• b: 24.8088 ± 0.001 Å
• c: 11.6477 ± 0.0005 Å
• α: 90°
• β: 94.354 ± 0.004°
• γ: 90°
• Cell volume: 2354.52 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No