Information card for entry 4002168

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: 10.8196 ± 0.0008 Å
• b: 7.2809 ± 0.0004 Å
• c: 11.326 ± 0.0009 Å
• α: 90°
• β: 107.695 ± 0.008°
• γ: 90°
• Cell volume: 850.01 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No