Information card for entry 7057881

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: 7.5692 ± 0.0009 Å
• b: 12.6145 ± 0.0016 Å
• c: 15.2354 ± 0.0017 Å
• α: 69.228 ± 0.005°
• β: 76.539 ± 0.005°
• γ: 73.79 ± 0.005°
• Cell volume: 1291.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No