Information card for entry 1572887

Structure parameters

• Formula: C18 H18 Sm
• Calculated formula: C18 H18 Sm
• Title of publication: The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
• Authors of publication: Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 7.383 ± 0.0016 Å
• b: 9.1133 ± 0.0011 Å
• c: 11.059 ± 0.002 Å
• α: 90°
• β: 98.63 ± 0.016°
• γ: 90°
• Cell volume: 735.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2434
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No