Information card for entry 4310518

Structure parameters

• Formula: C15 H24 B2 N P
• Calculated formula: C15 H24 B2 N P
• SMILES: [P](C[BH2][NH](C)C)(c1ccccc1)(c1ccccc1)[BH3]
• Title of publication: Linear Hybrid Aminoborane/Phosphinoborane Chains: Synthesis, Proton-Hydride Interactions, and Thermolysis Behavior
• Authors of publication: Cory A. Jaska; Alan J. Lough; Ian Manners
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1090 - 1099
• a: 11.9203 ± 0.0002 Å
• b: 9.6239 ± 0.0003 Å
• c: 28.7897 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3302.75 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No