Information card for entry 1577198

Structure parameters

• Chemical name: [{N(Dipp)}2(CMe)2CH]Al(DMAP)[CPN3Bn]
• Formula: C46 H69 Al N5 O P Si
• Calculated formula: C46 H69 Al N5 O P Si
• Title of publication: Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles
• Authors of publication: Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.767 ± 0.0004 Å
• b: 17.4531 ± 0.0005 Å
• c: 22.612 ± 0.0008 Å
• α: 90°
• β: 100.268 ± 0.001°
• γ: 90°
• Cell volume: 4569.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No