Information card for entry 7010547

Structure parameters

• Formula: C25.5 H21 Au Cl O2 P S
• Calculated formula: C25.5 H21 Au Cl O2 P S
• SMILES: [Au](Sc1ccc(cc1)C(=O)O)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 12.0102 ± 0.0002 Å
• b: 13.345 ± 0.0003 Å
• c: 17.0602 ± 0.0003 Å
• α: 74.062 ± 0.001°
• β: 71.819 ± 0.001°
• γ: 86.963 ± 0.001°
• Cell volume: 2496.37 ± 0.08 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No