Information card for entry 2210205

Structure parameters

• Chemical name: (2,4,6-Trimethyldithiobenzoato)(triphenylphosphine)gold(I)
• Formula: C28 H26 Au P S2
• Calculated formula: C28 H26 Au P S2
• SMILES: C(=S)(c1c(cc(cc1C)C)C)S[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (2,4,6-Trimethyldithiobenzoato)(triphenylphosphine)gold(I)
• Authors of publication: Yin, Ming; Fronczek, Frank R.; Schuerman, Judith A.; Selbin, Joel; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2392 - m2393
• a: 8.9954 ± 0.001 Å
• b: 20.745 ± 0.002 Å
• c: 13.553 ± 0.002 Å
• α: 90°
• β: 93.002 ± 0.005°
• γ: 90°
• Cell volume: 2525.6 ± 0.5 ų
• Cell temperature: 105 K
• Number of distinct elements: 5
• 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: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes