Information card for entry 4102476

Structure parameters

• Formula: C16 H40 B2 Cl2 Er N O4
• Calculated formula: C16 H40 B2 Cl2 Er N O4
• SMILES: [Er]123([H][BH]([NH2][BH]([H]2)[H]3)[H]1)(Cl)(Cl)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• 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: 9.9649 ± 0.0004 Å
• b: 21.9294 ± 0.0008 Å
• c: 11.2331 ± 0.0004 Å
• α: 90°
• β: 90.552 ± 0.002°
• γ: 90°
• Cell volume: 2454.59 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No