Information card for entry 7030660

Structure parameters

• Formula: C25 H18 Au Cl N P S2
• Calculated formula: C25 H18 Au Cl N P S2
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1sc2c(n1)cc(Cl)cc2
• 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: 8.8981 ± 0.0004 Å
• b: 11.0221 ± 0.0004 Å
• c: 14.1845 ± 0.0006 Å
• α: 89.145 ± 0.003°
• β: 76.61 ± 0.004°
• γ: 83.837 ± 0.004°
• Cell volume: 1345.45 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0777
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002944
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No