Information card for entry 1577200

Structure parameters

• Chemical name: [{N(Dipp)}2(CMe)2CH]Al[OSi(iPr)3][CPN3TMS]*solvent
• Formula: C48 H85 Al N5 O P Si2
• Calculated formula: C42 H71 Al N5 O P Si2
• 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: 14.9852 ± 0.0008 Å
• b: 16.4874 ± 0.0008 Å
• c: 22.1867 ± 0.0009 Å
• α: 90°
• β: 106.04 ± 0.002°
• γ: 90°
• Cell volume: 5268.2 ± 0.4 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: 0.0618
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No