Information card for entry 4103532

Structure parameters

• Formula: C24 H40 Cl F6 N4 O6 P S2
• Calculated formula: C24 H40 Cl F6 N4 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)Cl.S(=O)(=O)([O-])C(F)(F)F.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: 16.8961 ± 0.0019 Å
• b: 11.5086 ± 0.0014 Å
• c: 17.34 ± 0.002 Å
• α: 90°
• β: 102.729 ± 0.002°
• γ: 90°
• Cell volume: 3288.9 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No