Information card for entry 7056584

Structure parameters

• Formula: C48 H28 Au2 F10 P2 S2
• Calculated formula: C48 H28 Au2 F10 P2 S2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)S[Au][P](c1c(c2c(cccc2)[P](c2ccccc2)(c2ccccc2)[Au]Sc2c(c(c(c(c2F)F)F)F)F)cccc1)(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: 10.9563 ± 0.0005 Å
• b: 13.2303 ± 0.0006 Å
• c: 16.1494 ± 0.0007 Å
• α: 93.295 ± 0.004°
• β: 101.336 ± 0.004°
• γ: 110.274 ± 0.004°
• Cell volume: 2132.9 ± 0.18 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: 0.0689
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No