Information card for entry 4107183

Structure parameters

• Formula: C4 H12 B N
• Calculated formula: C4 H12 B N
• Title of publication: A Single-Component Liquid-Phase Hydrogen Storage Material
• Authors of publication: Wei Luo; Patrick G. Campbell; Lev N. Zakharov; Shih-Yuan Liu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19326 - 19329
• a: 9.919 ± 0.003 Å
• b: 7.278 ± 0.002 Å
• c: 9.294 ± 0.003 Å
• α: 90°
• β: 117.149 ± 0.005°
• γ: 90°
• Cell volume: 597 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No