Information card for entry 7111877

Structure parameters

• Formula: C19 H16 Au Br Cl P
• Calculated formula: C19 H16 Au Br Cl P
• SMILES: [Au](Cl)[P](Cc1c(Br)cccc1)(c1ccccc1)c1ccccc1
• 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: 8.4286 ± 0.0009 Å
• b: 16.0606 ± 0.0018 Å
• c: 13.9197 ± 0.0016 Å
• α: 90°
• β: 106.295 ± 0.004°
• γ: 90°
• Cell volume: 1808.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No