Information card for entry 4304907

Structure parameters

• Formula: C72 H128 Al4 O4 Yb2
• Calculated formula: C72 H128 Al4 O4 Yb2
• SMILES: [CH2]1(C)[Al]2(CC)[CH2](C)[Yb]31([O]([Al](CC)([O]3c1c(cccc1C(C)C)C(C)C)CC)c1c(cccc1C(C)C)C(C)C)[CH2](C)[Al]1([CH2](C)[Yb]3([CH2]1C)([CH2]2C)[O]([Al](CC)([O]3c1c(cccc1C(C)C)C(C)C)CC)c1c(cccc1C(C)C)C(C)C)CC
• 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: 18.731 ± 0.0007 Å
• b: 20.1036 ± 0.0007 Å
• c: 20.4087 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7685.1 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No