Information card for entry 4104938

Structure parameters

• Formula: C28 H27 Au F3 N3 O3 P S
• Calculated formula: C25 H20 Au F3 N3 O3 P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1n[nH]c2c1cccc2.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination
• Authors of publication: Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12100 - 12102
• a: 9.28 ± 0.0006 Å
• b: 13.2256 ± 0.0008 Å
• c: 14.1159 ± 0.0009 Å
• α: 110.107 ± 0.001°
• β: 104.804 ± 0.001°
• γ: 100.656 ± 0.001°
• Cell volume: 1500.24 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No