Information card for entry 1572899

Structure parameters

• Formula: C17 H17 Tb
• Calculated formula: C17 H17 Tb
• SMILES: C12[CH]3=[CH]4[CH]5=[CH]6[Tb]789%10%11%12%13%14%15%161345([CH]1=[CH]%13[CH]%11=[CH]%12[CH]%10=[CH]9[CH]8=[CH]71)[CH]6=[CH]%14[CH]%15=[CH]%162
• 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
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 19273 - 19282
• a: 11.781 ± 0.006 Å
• b: 13.017 ± 0.008 Å
• c: 8.708 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1335.4 ± 1.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.01 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: 0.0726
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No