Information card for entry 4077028

Structure parameters

• Formula: C29 H40 Al Si Y
• Calculated formula: C29 H40 Al Si Y
• SMILES: [Y]123456789%10([c]%11([Si]([c]%125[c]6([cH]7[c]58[c]9%12cccc5)C)(C)C)[c]1([cH]2[c]13[c]4%11cccc1)C)[CH2]([Al](CC)(CC)[CH3]%10)C
• Title of publication: The Lanthanide Ziegler−Natta Model: Aluminum-Mediated Chain Transfer
• Authors of publication: Klimpel, Michael G.; Eppinger, Jörg; Sirsch, Peter; Scherer, Wolfgang; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 4021
• a: 16.2681 ± 0.0001 Å
• b: 13.8952 ± 0.0001 Å
• c: 24.5341 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5545.9 ± 0.07 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0633
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No