Information card for entry 4324907

Structure parameters

• Common name: ZHAO1800
• Formula: B3 H12 N
• Calculated formula: B3 H12 N
• SMILES: [BH2]12[BH2]3([H]2)[BH2]1[H]3.[NH4+]
• Title of publication: Ammonium Octahydrotriborate (NH4B3H8): New Synthesis, Structure, and Hydrolytic Hydrogen Release
• Authors of publication: Zhenguo Huang; Xuenian Chen; Teshome Yisgedu; Edward A. Meyers; Sheldon G. Shore; Ji-Cheng Zhao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3738 - 3742
• a: 7.153 ± 0.0014 Å
• b: 8.2648 ± 0.0017 Å
• c: 8.3895 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 495.97 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No