Information card for entry 7040137

Structure parameters

• Formula: C27 H43 Al N2
• Calculated formula: C27 H43 Al N2
• SMILES: [AlH](=C1N(C(=C(N1C)C)C)C)(C1(C(=C(C(=C1C)C)C)C)C)C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Ligand coordination modulates reductive elimination from aluminium(iii).
• Authors of publication: Urwin, Stephanie J.; Rogers, David M.; Nichol, Gary S.; Cowley, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13695 - 13699
• a: 10.7729 ± 0.0003 Å
• b: 15.6899 ± 0.0004 Å
• c: 16.0285 ± 0.0005 Å
• α: 90°
• β: 105.321 ± 0.003°
• γ: 90°
• Cell volume: 2612.94 ± 0.13 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0724
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No