Information card for entry 4074487

Structure parameters

• Chemical name: (eta^5-pentamethylcyclopentadienyl)-tris(tert.butyl)-di-aluminium
• Formula: C22 H42 Al2
• Calculated formula: C22 H42 Al2
• SMILES: [Al]1234([Al](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Group 13−Group 13 Donor−Acceptor Complexes
• Authors of publication: Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5487
• a: 14.3246 ± 0.0003 Å
• b: 10.0441 ± 0.0003 Å
• c: 16.7107 ± 0.0004 Å
• α: 90°
• β: 91.807 ± 0.002°
• γ: 90°
• Cell volume: 2403.1 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.084
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No