Information card for entry 7022561

Structure parameters

• Formula: C3 H12 Al B Br3 N
• Calculated formula: C3 H12 Al B Br3 N
• SMILES: [Al]1(Br)(Br)(Br)[H][BH]([N](C)(C)C)[H]1
• Title of publication: CO2 reduction via aluminum complexes of ammonia boranes.
• Authors of publication: Ménard, Gabriel; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5447 - 5453
• a: 13.7292 ± 0.0011 Å
• b: 10.3051 ± 0.0009 Å
• c: 16.6848 ± 0.0014 Å
• α: 90°
• β: 108.256 ± 0.004°
• γ: 90°
• Cell volume: 2241.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No