Information card for entry 4103784

Structure parameters

• Formula: B3 H10 N
• Calculated formula: B3 H10 N
• SMILES: [BH2]1([BH2]2[BH2]1[H]2)[NH3]
• Title of publication: Ammonia Triborane: A New Synthesis, Structural Determinations, and Hydrolytic Hydrogen-Release Properties
• Authors of publication: Chang Won Yoon; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 855 - 864
• a: 10.358 ± 0.003 Å
• b: 4.8041 ± 0.0012 Å
• c: 9.967 ± 0.003 Å
• α: 90°
• β: 115.141 ± 0.006°
• γ: 90°
• Cell volume: 449 ± 0.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No