Information card for entry 4084365

Structure parameters

• Formula: C25 H44 B Li N2 P2
• Calculated formula: C25 H44 B Li N2 P2
• SMILES: P1(=C[P](c2ccccc2)(c2ccccc2)[Li]23([N](C)(C)CC[N]2(C)C)[H][BH]1[H]3)(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: 10.2843 ± 0.0004 Å
• b: 12.3798 ± 0.0005 Å
• c: 21.8415 ± 0.0009 Å
• α: 90°
• β: 90.176 ± 0.004°
• γ: 90°
• Cell volume: 2780.79 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No