Information card for entry 7043406

Structure parameters

• Formula: C26 H31 Au F P S
• Calculated formula: C26 H31 Au F P S
• SMILES: [Au](Sc1cc(F)ccc1)[P](c1c(c2ccccc2)cccc1)(C(C)(C)C)C(C)(C)C
• 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: 11.0004 ± 0.0006 Å
• b: 14.5902 ± 0.0006 Å
• c: 16.9126 ± 0.0008 Å
• α: 108.771 ± 0.004°
• β: 104.898 ± 0.004°
• γ: 91.213 ± 0.004°
• Cell volume: 2467.6 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No