Information card for entry 7057884

Structure parameters

• Formula: C53 H60 Cl11 Fe N2 O P3
• Calculated formula: C53 H60 Cl11 Fe N2 O 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: 12.3741 ± 0.0005 Å
• b: 14.043 ± 0.0005 Å
• c: 19.6151 ± 0.0007 Å
• α: 104.833 ± 0.002°
• β: 93.541 ± 0.002°
• γ: 114.316 ± 0.002°
• Cell volume: 2948.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No