Information card for entry 4308066

Structure parameters

• Formula: C12 H31 B N P
• Calculated formula: C12 H31 B N P
• SMILES: P(=[NH][BH3])(C(C)(C)C)(C(C)(C)C)CCCC
• Title of publication: Boron and Aluminum Complexes of Sterically Demanding Phosphinimines and Phosphinimides
• Authors of publication: Silke Courtenay; Denise Walsh; Sarah Hawkeswood; Pingrong Wei; Anjan Kumar Das; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3623 - 3631
• a: 8.212 ± 0.005 Å
• b: 8.397 ± 0.005 Å
• c: 11.678 ± 0.006 Å
• α: 84.132 ± 0.012°
• β: 85.683 ± 0.01°
• γ: 85.338 ± 0.01°
• Cell volume: 796.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No