Information card for entry 7128631

Structure parameters

• Formula: C28 H50 Al La O
• Calculated formula: C28 H50 Al La O
• SMILES: C[Al](C)(C)C.[La]12345678([c]9([c]2([c]3([c]4([c]59C)C)C)C)C)([c]2([c]6([c]7([c]8([c]12C)C)C)C)C)[O]1CCCC1
• Title of publication: Rare-earth-metallocene alkylaluminates trigger distinct tetrahydrofuran activation.
• Authors of publication: Bonath, Martin; Birkelbach, Verena M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 64
• Pages of publication: 7918 - 7921
• a: 18.808 ± 0.016 Å
• b: 8.677 ± 0.007 Å
• c: 19.029 ± 0.016 Å
• α: 90°
• β: 113.609 ± 0.011°
• γ: 90°
• Cell volume: 2846 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No