Information card for entry 4102816

Structure parameters

• Common name: ZHAO1785
• Formula: C12 H34 B2 N2 O6
• Calculated formula: C12 H34 B2 N2 O6
• SMILES: [NH2]([BH3])[BH2][NH3].O1CCOCCOCCOCCOCCOCC1
• Title of publication: Facile Synthesis of Aminodiborane and Inorganic Butane Analogue NH3BH2NH2BH3
• Authors of publication: Xuenian Chen; Ji-Cheng Zhao; Sheldon G. Shore
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10658 - 10659
• a: 8.872 ± 0.0018 Å
• b: 11.618 ± 0.002 Å
• c: 18.212 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1877.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No