Information card for entry 7111125

Structure parameters

• Common name: pentamethylcyclopentadienyl aluminum tris(pentafluorophenyl)aluminum adduct
• Formula: C28 H15 Al2 F15
• Calculated formula: C28 H15 Al2 F15
• SMILES: [Al]([Al]1234[c]5([c]2([c]4([c]3([c]15C)C)C)C)C)(c1c(F)c(F)c(c(F)c1F)F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: A valence isomer of a dialane
• Authors of publication: Gorden, John D.; Macdonald, Charles L. B.; Cowley, Alan H.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 75
• a: 30.635 ± 0.006 Å
• b: 9.814 ± 0.002 Å
• c: 20.236 ± 0.004 Å
• α: 90°
• β: 111.1 ± 0.03°
• γ: 90°
• Cell volume: 5676 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections: 0.2316
• Weighted residual factors for significantly intense reflections: 0.1944
• Goodness-of-fit parameter for all reflections: 1.456
• Goodness-of-fit parameter for significantly intense reflections: 1.518
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No