Information card for entry 7248668

Structure parameters

• Formula: C156 H168 F9 N12 O15 S3 Yb
• Calculated formula: C156 H168 F9 N12 O15 S3 Yb
• Title of publication: Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes.
• Authors of publication: Sickinger, Annika; Grasser, Maxime; Baguenard, Bruno; Bensalah-Ledoux, Amina; Guy, Laure; Bui, Anh Thy; Guyot, Yannick; Dorcet, Vincent; Pointillart, Fabrice; Cador, Olivier; Guy, Stéphan; Maury, Olivier; Le Guennic, Boris; Riobé, François
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 21
• Pages of publication: 15776 - 15783
• a: 22.207 ± 0.004 Å
• b: 26.8 ± 0.005 Å
• c: 31.519 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18758 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.15
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No