Information card for entry 4304905

Structure parameters

• Formula: C52 H80 Al2 O4 Yb
• Calculated formula: C52 H80 Al2 O4 Yb
• SMILES: [Yb]12([O](c3c(cccc3C(C)C)C(C)C)[Al]([O]1c1c(cccc1C(C)C)C(C)C)(C)C)[O](c1c(cccc1C(C)C)C(C)C)[Al]([O]2c1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: Distinct Reaction Pathways of Peralkylated LnIIAlIII Heterobimetallic Complexes with Substituted Phenols
• Authors of publication: Hanne-Marthe Sommerfeldt; Christian Meermann; Karl W. Törnroos; Reiner Anwander
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4696 - 4705
• a: 20.9364 ± 0.0003 Å
• b: 20.9364 ± 0.0003 Å
• c: 43.7686 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16614.9 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No