Information card for entry 4110777

Structure parameters

• Formula: C25 H20 Cl F3 O3 P2 S
• Calculated formula: C25 H20 Cl F3 O3 P2 S
• SMILES: [P+](P(Cl)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Acycliccatena-Diphosphinodiphosphonium Dications [R3P-PR'-PR'-PR3]2+ or Bisphosphine-Diphosphenium Complexes [R3P\ρightarrowPR'-PR'\λeftarrowPR3]2+: Synthesis by Reductive P-P Coupling of [R3P-PR'Cl]+ and Phosphine Ligand Exchange
• Authors of publication: C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9632 - 9633
• a: 10.0707 ± 0.0016 Å
• b: 8.8891 ± 0.0015 Å
• c: 14.166 ± 0.002 Å
• α: 90°
• β: 104.192 ± 0.003°
• γ: 90°
• Cell volume: 1229.4 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No