Information card for entry 4127947

Structure parameters

• Formula: C49 H84 Al N2 Na Si
• Calculated formula: C49 H84 Al N2 Na Si
• SMILES: C1(C(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)(C)C)=[AlH]=C1N(c2c(C(C)C)cccc2C(C)C)C(C)(C)CC1(C)C.[Na+].[Si-](C)(C(C)(C)C)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: 13.647 ± 0.004 Å
• b: 27.147 ± 0.007 Å
• c: 13.569 ± 0.004 Å
• α: 90°
• β: 100.226 ± 0.007°
• γ: 90°
• Cell volume: 4947 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No