Information card for entry 2208682

Structure parameters

• Chemical name: 2-Methyldithiobenzoato-S(triphenylphosphine)gold(I)
• Formula: C26 H22 Au P S2
• Calculated formula: C26 H22 Au P S2
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)SC(=S)c1ccccc1C
• Title of publication: (2-Methyldithiobenzoato-κ<i>S</i>)(triphenylphosphine-κ<i>O</i>)gold(I)
• Authors of publication: Macalindong, Jennifer S.; 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: 4
• Pages of publication: m889 - m890
• a: 19.525 ± 0.002 Å
• b: 12.3297 ± 0.001 Å
• c: 18.625 ± 0.001 Å
• α: 90°
• β: 93.486 ± 0.003°
• γ: 90°
• Cell volume: 4475.4 ± 0.6 ų
• Cell temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes