Information card for entry 1514829

Structure parameters

• Formula: C63 H65 Au2 Cl2 F6 N O10 P2 S2
• Calculated formula: C63 H65 Au2 Cl2 F6 N O10 P2 S2
• SMILES: [Au]1([P](c2ccccc2C)(c2ccccc2C)c2ccccc2C)[CH2]=[C]1([Au][P](c1ccccc1C)(c1ccccc1C)c1ccccc1C)C1CC(Cc2cc(OC)cc(OC)c12)(C(=O)OC)C(=O)OC.S(=O)(=O)(C(F)(F)F)N=S([O-])(=O)C(F)(F)F.ClCCl
• Title of publication: σ-π-Diauration as an alternative binding mode for digold intermediates in gold(i) catalysis.
• Authors of publication: Weber, Dieter; Gagné, Michel R
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2013
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 335 - 338
• a: 12.9063 ± 0.0002 Å
• b: 14.0711 ± 0.0002 Å
• c: 20.7385 ± 0.0004 Å
• α: 101.178 ± 0.001°
• β: 99.806 ± 0.001°
• γ: 113.143 ± 0.001°
• Cell volume: 3268.15 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No