Information card for entry 7251014

Structure parameters

• Formula: C33 H20 F9 N4 O7 S3 Yb
• Calculated formula: C33 H20 F9 N4 O7 S3 Yb
• 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: 33.7474 ± 0.0018 Å
• b: 10.9749 ± 0.0006 Å
• c: 20.4309 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7567.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1362
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No