Information card for entry 1572901

Structure parameters

• Formula: C17 H17 Nd
• Calculated formula: C17 H17 Nd
• 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: 12.0748 ± 0.0018 Å
• b: 12.8129 ± 0.0019 Å
• c: 8.8427 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1368.1 ± 0.4 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No