Information card for entry 4310519

Structure parameters

• Formula: C26 H28 B2 P2
• Calculated formula: C26 H28 B2 P2
• SMILES: c1(ccccc1)[P]1([BH2]C[P]([BH2]C1)(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 6.7219 ± 0.0003 Å
• b: 21.273 ± 0.0001 Å
• c: 8.4366 ± 0.0005 Å
• α: 90°
• β: 102.033 ± 0.002°
• γ: 90°
• Cell volume: 1179.88 ± 0.09 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1082
• 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