Information card for entry 4122024

Structure parameters

• Formula: C41 H52 Al N2 P
• Calculated formula: C41 H52 Al N2 P
• SMILES: [AlH]1(P(c2ccccc2)c2ccccc2)[N](=C(C=C(N1c1c(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: 17.2991 ± 0.0007 Å
• b: 12.1331 ± 0.0006 Å
• c: 18.0903 ± 0.0008 Å
• α: 90°
• β: 100.282 ± 0.002°
• γ: 90°
• Cell volume: 3736 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No