Information card for entry 4002169

Structure parameters

• Formula: Al B4 H18 N
• Calculated formula: Al B4 H18 N
• SMILES: [Al]1234([H][BH]([H]1)[NH3])([H][BH2][H]3)([H][BH2][H]2)[H][BH2][H]4
• Title of publication: Mild Dehydrogenation of Ammonia Borane Complexed with Aluminum Borohydride
• Authors of publication: Dovgaliuk, Iurii; Le Duff, Cécile S.; Robeyns, Koen; Devillers, Michel; Filinchuk, Yaroslav
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 768
• a: 7.8585 ± 0.0002 Å
• b: 6.86473 ± 0.00014 Å
• c: 15.7136 ± 0.0008 Å
• α: 90°
• β: 96.429 ± 0.004°
• γ: 90°
• Cell volume: 842.36 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0301
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.82103 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No