Information card for entry 7251013

Structure parameters

• Formula: C50 H22 Cl2 Dy2 F36 N8 O14
• Calculated formula: C50 H22 Cl2 Dy2 F36 N8 O14
• Title of publication: Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets
• Authors of publication: Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 12.0886 ± 0.0007 Å
• b: 13.4975 ± 0.0006 Å
• c: 21.222 ± 0.001 Å
• α: 90°
• β: 93.84 ± 0.003°
• γ: 90°
• Cell volume: 3454.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No