Information card for entry 4077148

Structure parameters

• Formula: C53 H46 Au F3 O7 P2 S3
• Calculated formula: C53 H46 Au F3 O7 P2 S3
• SMILES: [Au]([C@H](S(=O)(=O)c1ccc(cc1)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](S(=O)(=O)c1ccc(cc1)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.[Au]([C@@H](S(=O)(=O)c1ccc(cc1)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](S(=O)(=O)c1ccc(cc1)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes
• Authors of publication: Vicente, José; Singhal, Anshu R.; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5887
• a: 16.098 ± 0.003 Å
• b: 15.402 ± 0.002 Å
• c: 20.668 ± 0.003 Å
• α: 90°
• β: 106.222 ± 0.01°
• γ: 90°
• Cell volume: 4920.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No