Information card for entry 4122570

Structure parameters

• Formula: C40 H32 Au F3 O3 P2 S
• Calculated formula: C40 H32 Au F3 O3 P2 S
• SMILES: [Au](C(=C=C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Axially chiral allenyl gold complexes.
• Authors of publication: Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 37
• Pages of publication: 12812 - 12815
• a: 7.9063 ± 0.0016 Å
• b: 14.649 ± 0.003 Å
• c: 17 ± 0.003 Å
• α: 64.53 ± 0.03°
• β: 82.11 ± 0.03°
• γ: 83.47 ± 0.03°
• Cell volume: 1757.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No