Information card for entry 2013839

Structure parameters

• Formula: C24 H16 Au F4 P S
• Calculated formula: C24 H16 Au F4 P S
• SMILES: [Au](Sc1c(F)c(F)cc(F)c1F)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A quadrupole‒quadrupole stacking synthon in (2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)gold(I)
• Authors of publication: Watase, Seiji; Kitamura, Takayuki; Kanehisa, Nobuko; Nakamoto, Masami; Kai, Yasushi; Shozo Yanagida
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m104 - m106
• a: 8.2743 ± 0.0003 Å
• b: 11.3537 ± 0.0003 Å
• c: 23.4382 ± 0.0008 Å
• α: 90°
• β: 96.579 ± 0.001°
• γ: 90°
• Cell volume: 2187.38 ± 0.12 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.581
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes