Information card for entry 2201567

Structure parameters

• Common name: [Au(4,6-Me~2~pymS)(PPh~3~)]
• Chemical name: (4,6-Dimethylpyrimidine-2-thiolato)triphenylphosphanegold(I)
• Formula: C24 H22 Au N2 P S
• Calculated formula: C24 H22 Au N2 P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1nc(cc(C)n1)C
• Title of publication: (4,6-Dimethylpyrimidine-2-thiolato)(triphenylphosphine)gold(I)
• Authors of publication: Schulz Lang, Ernesto; Fernandes Jr, Ramão Marceli; Lemos, Sebastião Souza; Schulz Lang, Leonardo; Burrow, Robert Alan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: m469 - m470
• a: 8.8282 ± 0.0017 Å
• b: 11.144 ± 0.002 Å
• c: 12.318 ± 0.003 Å
• α: 97.104 ± 0.019°
• β: 105.586 ± 0.018°
• γ: 95.05 ± 0.02°
• Cell volume: 1149 ± 0.4 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: 0.1196
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes