Information card for entry 4102815

Structure parameters

• Common name: ZHAO1770
• Formula: C12 H38 B4 N2 O6
• Calculated formula: C12 H38 B4 N2 O6
• SMILES: [BH2]12[H][BH2]2[NH2]1.C1OCCOCCOCCOCCOCCOC1.[BH2]12[BH2]([H]1)[NH2]2
• 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: 8.499 ± 0.0017 Å
• b: 8.572 ± 0.0017 Å
• c: 8.883 ± 0.0018 Å
• α: 117.05 ± 0.03°
• β: 97.77 ± 0.03°
• γ: 107.32 ± 0.03°
• Cell volume: 521.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No