Information card for entry 4124572

Structure parameters

• Formula: C20 H48 B2 N Na O8
• Calculated formula: C20 H48 B2 N Na O8
• SMILES: [NH2]([BH3])[BH3].C1C[O]2CCOCCOCC[O]3CC[O]4[Na]23([O]1CC4)([O]1CCCC1)[O]1CCCC1
• Title of publication: Formation Mechanisms, Structure, Solution Behavior, and Reactivity of Aminodiborane.
• Authors of publication: Li, Huizhen; Ma, Nana; Meng, Wenjuan; Gallucci, Judith; Qiu, Yongqing; Li, Shujun; Zhao, Qianyi; Zhang, Jie; Zhao, Ji-Cheng; Chen, Xuenian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 38
• Pages of publication: 12406 - 12414
• a: 11.0094 ± 0.0002 Å
• b: 12.8704 ± 0.0003 Å
• c: 19.9165 ± 0.0004 Å
• α: 90°
• β: 103.957 ± 0.001°
• γ: 90°
• Cell volume: 2738.76 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No