Information card for entry 4074446

Structure parameters

• Common name: [Cp'2Al][BCF] + bromobenzene
• Formula: C48 H31 Al B Br F20
• Calculated formula: C48 H31 Al B Br F20
• Title of publication: Synthesis and Characterization of [(C5Me4H)2Al]+, an Initiator for the Polymerization of Isobutene. X-ray Crystal Structures of [(C5Me4H)2Al(μ-Cl)]2and [(C5Me4H)2Al][B(C6F5)4]
• Authors of publication: Lee, Suh-Jane; Shapiro, Pamela J.; Twamley, Brendan
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5582
• a: 22.644 ± 0.005 Å
• b: 23.988 ± 0.005 Å
• c: 17.049 ± 0.003 Å
• α: 90°
• β: 107.02 ± 0.03°
• γ: 90°
• Cell volume: 8855 ± 3 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 2 K
• Number of distinct elements: 6
• 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: 0.1386
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No