Information card for entry 7126387

Structure parameters

• Formula: C76 H116 Al2 Y2
• Calculated formula: C76 H116 Al2 Y2
• 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: 11.2354 ± 0.0003 Å
• b: 12.454 ± 0.0003 Å
• c: 14.8193 ± 0.0002 Å
• α: 103.894 ± 0.0017°
• β: 100.299 ± 0.0017°
• γ: 111.86 ± 0.002°
• Cell volume: 1783.5 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No