Information card for entry 7131742

Structure parameters

• Chemical name: tris(acetylacetonato)(2,2'-bipyrimidine)dysprosium(III) methanol solvate
• Formula: C24 H31 Dy N4 O7
• Calculated formula: C24 H31 Dy N4 O7
• SMILES: [Dy]1234(OC(=CC(=[O]2)C)C)([O]=C(C=C(O1)C)C)(OC(=CC(=[O]3)C)C)[n]1c(nccc1)c1nccc[n]41.OC
• Title of publication: Improving the performance of β-diketonate-based Dy^III single-molecule magnets displaying luminescence thermometry.
• Authors of publication: Bispo-Jr, Airton Germano; Yeh, Laurence; Errulat, Dylan; Gálico, Diogo Alves; Sigoli, Fernando Aparecido; Murugesu, Muralee
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 9.2135 ± 0.0004 Å
• b: 9.3766 ± 0.0005 Å
• c: 16.6513 ± 0.0008 Å
• α: 94.788 ± 0.002°
• β: 105.748 ± 0.002°
• γ: 94.997 ± 0.002°
• Cell volume: 1370.64 ± 0.12 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No