Information card for entry 4108687

Structure parameters

• Formula: C42 H40 F6 O6 P4 S2
• Calculated formula: C42 H40 F6 O6 P4 S2
• SMILES: c1(ccccc1)[P+](P(CC)P([P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC)(c1ccccc1)c1ccccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: 2,3-Diphosphino-1,4-diphosphonium Ions
• Authors of publication: Yuen-ying Carpenter; C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15732 - 15741
• a: 15.5968 ± 0.0016 Å
• b: 14.5043 ± 0.0016 Å
• c: 19.895 ± 0.002 Å
• α: 90°
• β: 102.483 ± 0.002°
• γ: 90°
• Cell volume: 4394.3 ± 0.8 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No