Information card for entry 4084363

Structure parameters

• Formula: C25 H44 B Li N2 P2
• Calculated formula: C25 H44 B Li N2 P2
• SMILES: [P]1(C=P(c2ccccc2)(c2ccccc2)[BH]2[H][Li]41([N](C)(C)CC[N]4(C)C)[H]2)(C(C)C)C(C)C
• Title of publication: Insights into the Stability and Structures of Phosphine-Boranes and Their α-Metalated Derivatives
• Authors of publication: Izod, Keith; Wills, Corinne; Anderson, Emma; Harrington, Ross W.; Probert, Michael R.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5283
• a: 11.7737 ± 0.0006 Å
• b: 16.1992 ± 0.0006 Å
• c: 15.188 ± 0.0007 Å
• α: 90°
• β: 103.595 ± 0.004°
• γ: 90°
• Cell volume: 2815.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No