Information card for entry 4102477

Structure parameters

• Formula: C6 H20 B2 N Na O2
• Calculated formula: C6 H20 B2 N Na O2
• SMILES: O1CCOCC1.[Na+].CC[NH]([BH3])[BH3]
• 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: 7.9953 ± 0.0012 Å
• b: 8.958 ± 0.0013 Å
• c: 9.566 ± 0.002 Å
• α: 106.786 ± 0.004°
• β: 98.357 ± 0.002°
• γ: 110.88 ± 0.002°
• Cell volume: 588.79 ± 0.18 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: 0.0933
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No