Information card for entry 7251009

Structure parameters

• Formula: C93 H86 F42 N4 O13 Yb2
• Calculated formula: C93 H86 F42 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: 20.1753 ± 0.0011 Å
• b: 21.9101 ± 0.0012 Å
• c: 23.9762 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10598.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No