Information card for entry 4515754

Structure parameters

• Chemical name: N-(2,6-dimethoxy-phenyl)-2-diphenyl- phosphinyl-pyridinium hexafluoroantimonate
• Formula: C25 H23 F6 N O2 P Sb
• Calculated formula: C25 H23 F6 N O2 P Sb
• SMILES: c1(cccc[n+]1c1c(cccc1OC)OC)P(c1ccccc1)c1ccccc1.[F-][Sb](F)(F)(F)(F)F
• Title of publication: N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
• Authors of publication: Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 10457
• a: 8.3643 ± 0.0009 Å
• b: 11.8205 ± 0.0013 Å
• c: 13.1583 ± 0.0014 Å
• α: 91.321 ± 0.002°
• β: 104.359 ± 0.002°
• γ: 99.991 ± 0.002°
• Cell volume: 1238.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No