Information card for entry 7030658

Structure parameters

• Common name: Benzothiazolium tetrachloroaurate(iii)
• Chemical name: Benzothiazolium tetrachloroaurate(III)
• Formula: C7 H6 Au Cl4 N S
• Calculated formula: C7 H6 Au Cl4 N S
• SMILES: c1[nH+]c2c(cccc2)s1.[Au](Cl)(Cl)(Cl)[Cl-]
• 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: 15.3524 ± 0.0004 Å
• b: 7.7452 ± 0.0002 Å
• c: 19.3505 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2300.92 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002942
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No