Information card for entry 4122571

Structure parameters

• Formula: C27 H17 Au F5 P
• Calculated formula: C27 H17 Au F5 P
• SMILES: [Au](C(=C=C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(c(c(c(c1F)F)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: 10.544 ± 0.0001 Å
• b: 14.6999 ± 0.0002 Å
• c: 14.862 ± 0.0002 Å
• α: 90°
• β: 93.203 ± 0.001°
• γ: 90°
• Cell volume: 2299.95 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0166
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No