Information card for entry 4110778

Structure parameters

• Formula: C50 H40 F6 O6 P4 S2
• Calculated formula: C50 H40 F6 O6 P4 S2
• SMILES: S(=O)(=O)([O-])C(F)(F)F.c1(ccccc1)[P+](P(c1ccccc1)P([P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• 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: 10.942 ± 0.004 Å
• b: 20.769 ± 0.007 Å
• c: 11.462 ± 0.004 Å
• α: 90°
• β: 113.12 ± 0.006°
• γ: 90°
• Cell volume: 2395.6 ± 1.5 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No