Information card for entry 7043409

Structure parameters

• Formula: C26 H30 Au F2 P S
• Calculated formula: C26 H30 Au F2 P S
• SMILES: c1ccccc1c1ccccc1[P](C(C)(C)C)(C(C)(C)C)[Au]Sc1cc(cc(c1)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: 9.8864 ± 0.0006 Å
• b: 11.9819 ± 0.0007 Å
• c: 21.5082 ± 0.0011 Å
• α: 75.206 ± 0.005°
• β: 82.287 ± 0.005°
• γ: 85.619 ± 0.005°
• Cell volume: 2438.7 ± 0.2 ų
• Cell temperature: 403 ± 2 K
• Ambient diffraction temperature: 403 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No