Information card for entry 7043411

Structure parameters

• Formula: C26 H30 Au F2 P S
• Calculated formula: C26 H30 Au F2 P S
• SMILES: c1(c(cc(cc1)F)F)S[Au][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: 13.3235 ± 0.0008 Å
• b: 12.9471 ± 0.0006 Å
• c: 15.1958 ± 0.001 Å
• α: 90°
• β: 106.518 ± 0.007°
• γ: 90°
• Cell volume: 2513.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No