Information card for entry 4127944

Structure parameters

• Formula: C46 H74 Al F3 N2 O4 S
• Calculated formula: C46 H74 Al F3 N2 O4 S
• 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: 10.6208 ± 0.0008 Å
• b: 14.5195 ± 0.0011 Å
• c: 16.0462 ± 0.0012 Å
• α: 104.065 ± 0.002°
• β: 99.592 ± 0.002°
• γ: 102.634 ± 0.002°
• Cell volume: 2278.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No