Information card for entry 7111876

Structure parameters

• Formula: C46 H44 Au Br6 Cl9 P2
• Calculated formula: C46 H44 Au Br6 Cl9 P2
• 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: 17.0229 ± 0.0014 Å
• b: 16.1927 ± 0.0014 Å
• c: 20.3819 ± 0.0017 Å
• α: 90°
• β: 106.408 ± 0.003°
• γ: 90°
• Cell volume: 5389.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No