Information card for entry 4069628

Structure parameters

• Formula: C22 H25 O8 P S2
• Calculated formula: C22 H25 O8.007 P S2
• SMILES: c12ccccc1O[P]13(O2)(Oc2ccccc2O1)Oc1ccccc1O3.CS(C)=[OH+].CS(C)=O
• Title of publication: HL2[P(1,2-O2C6H4)3] (L = DMSO or DMF): A Convenient Proton Source with a Weakly Basic Phosphorus(V) Anion
• Authors of publication: Siu, Paul W.; Gates, Derek P.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4491
• a: 12.767 ± 0.003 Å
• b: 13.932 ± 0.003 Å
• c: 13.625 ± 0.003 Å
• α: 90°
• β: 108.507 ± 0.007°
• γ: 90°
• Cell volume: 2298.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No