Information card for entry 7126385

Structure parameters

• Chemical name: [Dy@Y(Cp*)2(Me3AlNEt3)]2[Al{OC(CF3)3}4]2(C6H5Cl)3
• Formula: C108 H123 Al4 Cl3 Dy0.2 F72 N2 O8 Y1.8
• Calculated formula: C108 H123 Al4 Cl3 Dy0.2 F72 N2 O8 Y1.8
• Title of publication: A double-dysprosocenium single-molecule magnet bound together with neutral ligands.
• Authors of publication: Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 42
• Pages of publication: 5677 - 5680
• a: 14.14639 ± 0.00009 Å
• b: 30.4739 ± 0.0002 Å
• c: 16.04187 ± 0.0001 Å
• α: 90°
• β: 98.2178 ± 0.0006°
• γ: 90°
• Cell volume: 6844.57 ± 0.08 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No