Information card for entry 4515751

Structure parameters

• Chemical name: 1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinylchlorogold(i)-pyridinium hexafluoroantimonate
• Formula: C26 H25 Au Cl F6 N P Sb
• Calculated formula: C26 H25 Au Cl F6 N P Sb
• SMILES: c1(cccc[n+]1c1c(cc(cc1C)C)C)[P](c1ccccc1)(c1ccccc1)[Au]Cl.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: 10.004 ± 0.0004 Å
• b: 10.1489 ± 0.0004 Å
• c: 15.7193 ± 0.0009 Å
• α: 107.808 ± 0.003°
• β: 92.182 ± 0.004°
• γ: 112.364 ± 0.003°
• Cell volume: 1383.43 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0154
• Residual factor for significantly intense reflections: 0.0143
• Weighted residual factors for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No