Information card for entry 4081715

Structure parameters

• Formula: C16 H35 Al N O P
• Calculated formula: C16 H35 Al N O P
• SMILES: C1[P+](C(C)(C)C)(C(C)(C)C)C(=O)N([Al]1(C)C)C(C)(C)C
• Title of publication: Reactivity of Dimeric P/Al-Based Lewis Pairs toward Carbon Dioxide andtert-Butyl Isocyanate
• Authors of publication: Bertini, Federica; Hoffmann, Frank; Appelt, Christian; Uhl, Werner; Ehlers, Andreas W.; Slootweg, J. Chris; Lammertsma, Koop
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6764
• a: 12.8425 ± 0.0002 Å
• b: 9.9333 ± 0.0001 Å
• c: 15.1509 ± 0.0002 Å
• α: 90°
• β: 95.085 ± 0.001°
• γ: 90°
• Cell volume: 1925.17 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No