Information card for entry 7108334

Structure parameters

• Formula: C52 H86 Al N P2
• Calculated formula: C52 H86 Al N P2
• 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: 16.0252 ± 0.0009 Å
• b: 22.6102 ± 0.001 Å
• c: 16.4534 ± 0.0009 Å
• α: 90°
• β: 116.003 ± 0.004°
• γ: 90°
• Cell volume: 5358.1 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.1636
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No