Information card for entry 7111874

Structure parameters

• Formula: C23 H21 Au Br3 Cl N P
• Calculated formula: C23 H21 Au Br3 Cl N P
• SMILES: [Au](Cl)[P](Cc1c(Br)cccc1)(Cc1c(Br)cccc1)Cc1c(Br)cccc1.N#CC
• 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: 12.6165 ± 0.0005 Å
• b: 13.1976 ± 0.0004 Å
• c: 14.9182 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2483.99 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No