Information card for entry 4078301

Structure parameters

• Common name: BbpAlBrOEt2
• Chemical name: 2,6-bis(bis(trimethylsilyl)methyl)phenyl-dibromoalumane diethylether complex
• Formula: C24 H51 Al Br2 O Si4
• Calculated formula: C24 H51 Al Br2 O Si4
• SMILES: [Al](Br)(Br)(c1c(cccc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[O](CC)CC
• Title of publication: Synthesis, Structure, and Properties of a Stable 1,2-Dibromodialumane(4) Bearing a Bulky Aryl Substituent
• Authors of publication: Agou, Tomohiro; Nagata, Koichi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3806
• a: 9.5433 ± 0.0001 Å
• b: 27.0804 ± 0.0004 Å
• c: 13.4611 ± 0.0002 Å
• α: 90°
• β: 98.1654 ± 0.0006°
• γ: 90°
• Cell volume: 3443.57 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No