Information card for entry 7109039

Structure parameters

• Formula: C30 H51 Al3
• Calculated formula: C30 H51 Al3
• SMILES: [AlH]12345([c]6([c]4([c]3([c]2(C)[c]16C)C)C)C)[H][AlH]1234([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)[H][AlH]1234([c]6([c]4(C)[c]3([c]2(C)[c]16C)C)C)[H]5
• Title of publication: Reductive elimination: a pathway to low-valent aluminium species
• Authors of publication: Chelladurai Ganesamoorthy; Sinah Loerke; Christian Gemel; Paul Jerabek; Manuela Winter; Gernot Frenking; Roland A. Fischer
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2858
• a: 15.2302 ± 0.0002 Å
• b: 19.2003 ± 0.0002 Å
• c: 10.4397 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3052.82 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No