Information card for entry 7043410

Structure parameters

• Formula: C21 H27 Au F3 P S
• Calculated formula: C21 H27 Au F3 P S
• SMILES: [Au]([P](c1ccccc1c1ccccc1)(C(C)(C)C)C(C)(C)C)SC(F)(F)F
• Title of publication: π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)
• Authors of publication: Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.4259 ± 0.0004 Å
• b: 18.4324 ± 0.0006 Å
• c: 11.9129 ± 0.0004 Å
• α: 90°
• β: 106.15 ± 0.004°
• γ: 90°
• Cell volume: 2199.01 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No