Information card for entry 7036602

Structure parameters

• Formula: C38 H61 Al P2
• Calculated formula: C38 H61 Al P2
• SMILES: P1([Al](/C([PH+](C\1=C\C(C)(C)C)c1c(C)cc(C)cc1C)=C/C(C)(C)C)(C(C)(C)C)C(C)(C)C)c1c(C)cc(C)cc1C
• Title of publication: Hydroalumination of alkynyl-aminophosphines as a promising tool for the synthesis of unusual phosphines: P-N bond activation, a transient phosphaallene, a zwitterionic AlP2C2 heterocycle and a masked Al/P-based frustrated Lewis pair.
• Authors of publication: Klöcker, Hans; Layh, Marcus; Hepp, Alexander; Uhl, Werner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2031 - 2043
• a: 8.7959 ± 0.0004 Å
• b: 19.1209 ± 0.0008 Å
• c: 21.9957 ± 0.0009 Å
• α: 90°
• β: 94.433 ± 0.002°
• γ: 90°
• Cell volume: 3688.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No