Information card for entry 7251015

Structure parameters

• Formula: C39 H14 F36 N4 O13 Yb2
• Calculated formula: C39 H14 F36 N4 O13 Yb2
• 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: 11.695 ± 0.0009 Å
• b: 15.9999 ± 0.0012 Å
• c: 16.7054 ± 0.0013 Å
• α: 71.873 ± 0.002°
• β: 70.644 ± 0.002°
• γ: 81.626 ± 0.003°
• Cell volume: 2799.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No