Information card for entry 7126388

Structure parameters

• Formula: C76 H116 Al2 Dy2
• Calculated formula: C76 H116 Al2 Dy2
• SMILES: [Al]1([CH3][Dy]23456789([c]%10([c]5([c]4([c]3([c]2%10C)C)C)C)C)([c]2([c]6([c]7([c]8([c]92C)C)C)C)C)[CH3][Al]([CH3][Dy]23456789([CH3]1)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)(C)C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• 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: 11.1938 ± 0.0003 Å
• b: 12.4457 ± 0.0007 Å
• c: 14.8073 ± 0.0005 Å
• α: 104.043 ± 0.004°
• β: 100.205 ± 0.003°
• γ: 111.785 ± 0.004°
• Cell volume: 1774.66 ± 0.15 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: 0.1235
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2336
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0363
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No