Information card for entry 1565461

Structure parameters

• Formula: C20 H19 Au N4 O2 S
• Calculated formula: C20 H19 Au N4 O2 S
• SMILES: [Au]12(SC(=N\c3ccc(cc3)N(=O)=O)/c3n1ccc3)[N](Cc1c2cccc1)(C)C
• Title of publication: Pyrrole thioamide complexes of the d8 metals platinum(II), palladium(II) and gold(III)
• Authors of publication: Tang, Haiming; Saunders, Graham C.; Ma, Xiaochuan; Henderson, William
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119282
• a: 15.0999 ± 0.0002 Å
• b: 8.23711 ± 0.00015 Å
• c: 15.1811 ± 0.0002 Å
• α: 90°
• β: 92.8016 ± 0.0014°
• γ: 90°
• Cell volume: 1885.96 ± 0.05 ų
• Cell temperature: 99.95 ± 0.13 K
• Ambient diffraction temperature: 99.95 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0682
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No