Information card for entry 4102474

Structure parameters

• Formula: C8 H22 B2 N Na O2
• Calculated formula: C8 H22 B2 N Na O2
• SMILES: [Na+].[BH3][N]1([BH3])CCCC1.O1CCOCC1
• 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: 7.781 ± 0.002 Å
• b: 9.048 ± 0.003 Å
• c: 10.23 ± 0.003 Å
• α: 111.583 ± 0.004°
• β: 101.318 ± 0.004°
• γ: 101.33 ± 0.004°
• Cell volume: 627.5 ± 0.3 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: 0.0905
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No