Information card for entry 4084366

Structure parameters

• Formula: C25 H47 B2 Li N2 P2
• Calculated formula: C25 H47 B2 Li N2 P2
• SMILES: [P]([BH3])(C=P([BH3])(c1ccccc1)c1ccccc1)(C(C)C)C(C)C.[Li]1[N](C)(C)CC[N]1(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: 12.4933 ± 0.0004 Å
• b: 14.0993 ± 0.0005 Å
• c: 17.8125 ± 0.0006 Å
• α: 78.471 ± 0.003°
• β: 79.092 ± 0.003°
• γ: 76.368 ± 0.003°
• Cell volume: 2954.24 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No