Information card for entry 4084364

Structure parameters

• Formula: C27 H44 B Li O2 P2
• Calculated formula: C27 H44 B Li O2 P2
• SMILES: P1(=C[P](c2ccccc2)(c2ccccc2)[BH]2[H][Li]1([O]1CCCC1)([O]1CCCC1)[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: 9.3112 ± 0.0005 Å
• b: 11.9453 ± 0.0005 Å
• c: 14.0786 ± 0.0007 Å
• α: 74.945 ± 0.004°
• β: 77.243 ± 0.004°
• γ: 76.944 ± 0.004°
• Cell volume: 1451.01 ± 0.13 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: 0.0581
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No