Information card for entry 4122025

Structure parameters

• Formula: C36 H51 Al N2 Si
• Calculated formula: C36 H51 Al N2 Si
• SMILES: [Al@H]1([Si@@H](C)c2ccccc2)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.[Al@@H]1([Si@H](C)c2ccccc2)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Oxidative Addition of σ Bonds to an Al(I) Center.
• Authors of publication: Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 25
• Pages of publication: 9195 - 9202
• a: 12.0366 ± 0.0012 Å
• b: 12.3508 ± 0.0013 Å
• c: 12.6164 ± 0.0013 Å
• α: 70.633 ± 0.006°
• β: 87.367 ± 0.006°
• γ: 79.059 ± 0.006°
• Cell volume: 1737 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No