Information card for entry 7043413

Structure parameters

• Formula: C26 H31 Au F P S
• Calculated formula: C26 H31 Au F P S
• SMILES: c1(ccccc1c1ccccc1)[P](C(C)(C)C)(C(C)(C)C)[Au]Sc1ccccc1F
• 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: 8.4347 ± 0.0008 Å
• b: 17.9915 ± 0.0015 Å
• c: 16.224 ± 0.0013 Å
• α: 90°
• β: 101.12 ± 0.008°
• γ: 90°
• Cell volume: 2415.8 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No