Information card for entry 7108333

Structure parameters

• Formula: C44 H69 Al P2
• Calculated formula: C44 H69 Al P2
• SMILES: P12(c4c(C)cc(C)cc4C)=[C](=C(C(C)(C)C)P(/C1=C/C(C)(C)C)c1c(C)cc(C)cc1C)[Al](/C2=C/C(C)(C)C)(CC(C)C)CC(C)C
• 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: 10.4075 ± 0.0002 Å
• b: 12.0576 ± 0.0002 Å
• c: 18.1948 ± 0.0003 Å
• α: 95.601 ± 0.001°
• β: 94.732 ± 0.001°
• γ: 109.134 ± 0.001°
• Cell volume: 2130.84 ± 0.07 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: 0.0775
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No