Information card for entry 7251008

Structure parameters

• Formula: C63 H29 Dy3 F54 N8 O22
• Calculated formula: C63 H29 Dy3 F54 N8 O22
• 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: 21.636 ± 0.004 Å
• b: 15.445 ± 0.002 Å
• c: 27.323 ± 0.004 Å
• α: 90°
• β: 99.797 ± 0.005°
• γ: 90°
• Cell volume: 8997 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No