Information card for entry 4304902

Structure parameters

• Formula: C40 H72 Al2 O3 Yb
• Calculated formula: C40 H72 Al2 O3 Yb
• SMILES: [Yb]12([O](c3c(cccc3C(C)C)C(C)C)[Al]([CH2]1C)(CC)CC)([O](c1c(cccc1C(C)C)C(C)C)[Al]([CH2]2C)(CC)CC)[O]1CCCC1
• 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: 18.339 ± 0.0006 Å
• b: 12.8562 ± 0.0004 Å
• c: 19.6956 ± 0.0006 Å
• α: 90°
• β: 114.234 ± 0.001°
• γ: 90°
• Cell volume: 4234.4 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No