Information card for entry 7111873

Structure parameters

• Formula: C21 H18 Au Cl I3 O3 P
• Calculated formula: C21 H18 Au Cl I3 O3 P
• SMILES: [Au](Cl)[P](OCc1ccccc1I)(OCc1c(I)cccc1)OCc1c(I)cccc1
• Title of publication: Rationale for the sluggish oxidative addition of aryl halides to Au(I)
• Authors of publication: Madeleine Livendahl; Charles Goehry; Feliu Maseras; Antonio M. Echavarren
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1533
• a: 18.718 ± 0.002 Å
• b: 8.0042 ± 0.0012 Å
• c: 33.333 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4994 ± 1.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No