Information card for entry 2017216

Structure parameters

• Chemical name: [2-(methylsulfanyl)phenyl](triphenylphosphine)gold(I)
• Formula: C25 H22 Au P S
• Calculated formula: C25 H22 Au P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(SC)cccc1
• Title of publication: A monomeric gold(I) carbanion complex with an uncoordinated thioether: [2-(methylsulfanyl)phenyl](triphenylphosphine)gold(I)
• Authors of publication: Melgarejo, Doris Y.; Chiarella, Gina M.; Fackler, Jr, John P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m299 - m301
• a: 6.986 ± 0.004 Å
• b: 15.553 ± 0.009 Å
• c: 20.06 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2180 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes