Information card for entry 7010548

Structure parameters

• Chemical name: [4-Carboxyl-thiophenolato-gold(I)-triethylphosphane]-Dimer
• Formula: C13 H20 Au O2 P S
• Calculated formula: C13 H20 Au O2 P S
• SMILES: [Au]([P](CC)(CC)CC)Sc1ccc(cc1)C(=O)O
• Title of publication: Structural diversity in gold(I) complexes of 4-sulfanylbenzoic acid
• Authors of publication: Wilton-Ely, James D. E. T.; Schier, Annette; Mitzel, Norbert W.; Schmidbaur, Hubert
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 1058
• a: 7.219 ± 0.0001 Å
• b: 14.022 ± 0.0001 Å
• c: 15.404 ± 0.0002 Å
• α: 90°
• β: 93.094 ± 0.005°
• γ: 90°
• Cell volume: 1556.99 ± 0.03 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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 all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No