Information card for entry 7036603

Structure parameters

• Formula: C50 H76 Al2 P2
• Calculated formula: C50 H76 Al2 P2
• SMILES: C\1(=C/C(C)(C)C)[P@@H](c2c(cc(cc2C)C)C)[Al](C(=C\C(C)(C)C)\[P@@H]([Al]1(CC)CC)c1c(cc(cc1C)C)C)(CC)CC.c1ccccc1.c1ccccc1
• 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: 9.6742 ± 0.0004 Å
• b: 10.5505 ± 0.0004 Å
• c: 12.2107 ± 0.0005 Å
• α: 92.1847 ± 0.001°
• β: 106.351 ± 0.001°
• γ: 92.2788 ± 0.001°
• Cell volume: 1193.39 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No