Information card for entry 4336115

Structure parameters

• Formula: C3 H20 B3 N3
• Calculated formula: C3 H20 B3 N3
• SMILES: [BH3][NH]([BH2][NH]([BH2][NH2]C)C)C
• Title of publication: Syntheses and Characterizations of Linear Triborazanes
• Authors of publication: William C. Ewing; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10690 - 10697
• a: 5.7671 ± 0.0004 Å
• b: 16.7609 ± 0.0012 Å
• c: 10.426 ± 0.0008 Å
• α: 90°
• β: 103.302 ± 0.004°
• γ: 90°
• Cell volume: 980.76 ± 0.12 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No