Information card for entry 7027222

Structure parameters

• Formula: C5 H9 Au F3 O2 P
• Calculated formula: C5 H9 Au F3 O2 P
• SMILES: [Au]([P](C)(C)C)OC(=O)C(F)(F)F
• Title of publication: (Phosphine)gold(I) trifluoromethanesulfonates, trifluoroacetates and trichlorothioacetates †
• Authors of publication: Preisenberger, Max; Schier, Annette; Schmidbaur, Hubert
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 1645
• a: 9.759 ± 0.001 Å
• b: 11.362 ± 0.002 Å
• c: 27.183 ± 0.003 Å
• α: 90°
• β: 99.35 ± 0.01°
• γ: 90°
• Cell volume: 2974.1 ± 0.7 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 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: 0.1348
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.2043
• Weighted residual factors for significantly intense reflections: 0.1687
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No