Information card for entry 4103536

Structure parameters

• Formula: C25 H42 Cl2 F6 N7 O6 P S2
• Calculated formula: C25 H42 Cl2 F6 N7 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)N=N#N.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl
• 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: 10.1689 ± 0.0003 Å
• b: 10.577 ± 0.0004 Å
• c: 17.9056 ± 0.0005 Å
• α: 82.943 ± 0.002°
• β: 85.659 ± 0.002°
• γ: 79.724 ± 0.002°
• Cell volume: 1877.76 ± 0.11 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No