Information card for entry 7057883

Structure parameters

• Formula: C31 H27 P3
• Calculated formula: C31 H27 P3
• Title of publication: Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes
• Authors of publication: Newland, Robert J.; Delve, Matthew P.; Wingad, Richard L.; Mansell, Stephen M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 19625
• a: 9.9671 ± 0.0013 Å
• b: 8.065 ± 0.0011 Å
• c: 15.945 ± 0.0018 Å
• α: 90°
• β: 99.576 ± 0.009°
• γ: 90°
• Cell volume: 1263.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.1452
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No