Information card for entry 7056583

Structure parameters

• Formula: C50 H28 Au2 F14 P2 S2
• Calculated formula: C50 H28 Au2 F14 P2 S2
• SMILES: [Au](Sc1c(F)c(F)c(C(F)(F)F)c(F)c1F)[P](c1c(cccc1)c1c(cccc1)[P]([Au]Sc1c(F)c(F)c(C(F)(F)F)c(F)c1F)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structural effects of trifluoromethylation and fluorination in gold(I) BIPHEP fluorothiolates
• Authors of publication: Moreno-Alcántar, Luis Guillermo; Guevara-Vela, José Manuel; Delgadillo-Ruíz, Rafael; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 10537 - 10541
• a: 10.7502 ± 0.0004 Å
• b: 13.3823 ± 0.0006 Å
• c: 17.1566 ± 0.0009 Å
• α: 83.608 ± 0.004°
• β: 77.608 ± 0.004°
• γ: 72.188 ± 0.004°
• Cell volume: 2292.36 ± 0.19 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: 0.0632
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No