Information card for entry 7043412

Structure parameters

• Formula: C26 H31 Au F P S
• Calculated formula: C26 H31 Au F P S
• SMILES: c1(ccc(cc1)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: 11.1857 ± 0.0004 Å
• b: 14.4424 ± 0.0009 Å
• c: 16.8674 ± 0.001 Å
• α: 109.492 ± 0.006°
• β: 104.94 ± 0.004°
• γ: 90.395 ± 0.004°
• Cell volume: 2469 ± 0.3 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: 0.043
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No