Information card for entry 7108339

Structure parameters

• Formula: C30 H45 Al P2
• Calculated formula: C30 H45 Al P2
• SMILES: [P+]1(c2ccccc2)(CC)/C(=C/C(C)(C)C)P([Al](/C1=C\C(C)(C)C)(CC)CC)c1ccccc1
• Title of publication: Alkynide and acetonitrile activation by strained AlPC2 heterocycles
• Authors of publication: Steffi Roters; Alexander Hepp; J. Chris Slootweg; Koop Lammertsma; Werner Uhl
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9616
• a: 12.1692 ± 0.0003 Å
• b: 16.6042 ± 0.0004 Å
• c: 30.194 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6101 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No