Information card for entry 7030580

Structure parameters

• Common name: [AlBr2H(IMes)]
• Formula: C21 H25 Al Br2 N2
• Calculated formula: C21 H25 Al Br2 N2
• SMILES: Br[AlH](Br)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Hydride‒bromide exchange at an NHC—a new route to brominated alanes and gallanes
• Authors of publication: Alexander, Sean G.; Cole, Marcus L.; Furfari, Samantha K.; Kloth, Marc
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 2909 - 2911
• a: 14.1065 ± 0.0002 Å
• b: 16.5232 ± 0.0003 Å
• c: 19.4059 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4523.21 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7001008
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No