Information card for entry 2209595

Structure parameters

• Chemical name: (2,4,6-Trimethyldithiobenzoato-κ^2^S,S')bis(triphenylphosphine-κP)gold(I)
• Formula: C46 H41 Au P2 S2
• Calculated formula: C46 H41 Au P2 S2
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Au]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)SC(=[S]1)c1c(cc(cc1C)C)C
• Title of publication: (2,4,6-Trimethyldithiobenzoato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphine-κ<i>P</i>)gold(I)
• Authors of publication: Davis, Despina; 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: 7
• Pages of publication: m1524 - m1526
• a: 12.277 ± 0.003 Å
• b: 18.803 ± 0.004 Å
• c: 17.132 ± 0.004 Å
• α: 90°
• β: 93.922 ± 0.009°
• γ: 90°
• Cell volume: 3945.6 ± 1.6 ų
• Cell temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes