Information card for entry 7030664

Structure parameters

• Formula: C21 H19 Au N P S2
• Calculated formula: C21 H19 Au N P S2
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Au]SC1SCCN=1
• 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: 8.835 ± 0.001 Å
• b: 10.926 ± 0.001 Å
• c: 11.426 ± 0.002 Å
• α: 87.14 ± 0.01°
• β: 87.72 ± 0.01°
• γ: 75.21 ± 0.01°
• Cell volume: 1064.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002948
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No