Information card for entry 7002947

Structure parameters

• Formula: C6 H5 N O5 S
• Calculated formula: C6 H5 N O5 S
• SMILES: S(=O)(=O)([O-])c1[nH+]cccc1C(=O)O
• Title of publication: Synthesis, structural characterization and in vitro cytotoxicity of new Au(III) and Au(I) complexes with thioamides
• Authors of publication: Kouroulis, K. N.; Hadjikakou, S. K.; Kourkoumelis, N.; Kubicki, M.; Male, L.; Hursthouse, M.; Skoulika, S.; Metsios, A. K.; Tyurin, V. Y.; Dolganov, A. V.; Milaeva, E. R.; Hadjiliadis, N.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10446 - 10456
• a: 6.762 ± 0.001 Å
• b: 7.84 ± 0.001 Å
• c: 8.797 ± 0.001 Å
• α: 63.61 ± 0.01°
• β: 85.35 ± 0.01°
• γ: 65.39 ± 0.01°
• Cell volume: 376.71 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No