Information card for entry 4127946

Structure parameters

• Formula: C40 H63 Al Cl2 N2
• Calculated formula: C40 H63 Al Cl2 N2
• SMILES: Cl[Al](Cl)(=C1N(c2c(cccc2C(C)C)C(C)C)C(CC1(C)C)(C)C)C1N(c2c(cccc2C(C)C)C(C)C)C(CC1(C)C)(C)C
• Title of publication: Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.
• Authors of publication: Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 42
• Pages of publication: 16954 - 16960
• a: 12.642 ± 0.006 Å
• b: 19.274 ± 0.008 Å
• c: 17.059 ± 0.007 Å
• α: 90°
• β: 111.537 ± 0.014°
• γ: 90°
• Cell volume: 3866 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No