Information card for entry 4102475

Structure parameters

• Formula: C3 H14 B2 N Na O
• Calculated formula: C3 H14 B2 N Na O
• SMILES: [BH3][NH]([BH3])C.O1CCOCC1.[Na+]
• Title of publication: Synthesis of the Long-Sought Unsubstituted Aminodiboranate Na(H3B-NH2-BH3) and Its N-Alkyl Analogs
• Authors of publication: Scott R. Daly; Brian J. Bellott; Do Young Kim; Gregory S. Girolami
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7254 - 7255
• a: 8.2911 ± 0.0003 Å
• b: 9.9884 ± 0.0004 Å
• c: 10.8264 ± 0.0004 Å
• α: 91.984 ± 0.002°
• β: 97.495 ± 0.002°
• γ: 114.189 ± 0.002°
• Cell volume: 807.02 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No