Information card for entry 4103535

Structure parameters

• Formula: C25 H40 F6 N5 O6 P S2
• Calculated formula: C25 H40 F6 N5 O6 P S2
• SMILES: c1(n(c(c(C)[n+]1C(C)C)C)C(C)C)P(c1n(c(c(C)[n+]1C(C)C)C)C(C)C)C#N.C(F)(F)(F)S(=O)(=O)[O-].S(=O)(=O)([O])C(F)(F)F
• Title of publication: Carbene-Stabilized Phosphorus(III)-Centered Cations [LPX~2~]^+^ and [L~2~PX]^2+^ (L = NHC; X = Cl, CN, N~3~)
• Authors of publication: Jan J. Weigand; Kai-Oliver Feldmann; Florian D. Henne
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16321 - 16323
• a: 15.8923 ± 0.0009 Å
• b: 9.1889 ± 0.0005 Å
• c: 23.6454 ± 0.0011 Å
• α: 90°
• β: 106.187 ± 0.004°
• γ: 90°
• Cell volume: 3316.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No