Information card for entry 2243494

Structure parameters

• Chemical name: [(<i>Z</i>)-<i>N</i>-(3-Fluorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I)
• Formula: C26 H22 Au F N O P S
• Calculated formula: C26 H22 Au F N O P S
• SMILES: [Au](S/C(=N\c1cc(F)ccc1)OC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [(<i>Z</i>)-<i>N</i>-(3-Fluorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I): crystal structure, Hirshfeld surface analysis and computational study
• Authors of publication: Yeo, Chien Ing; Tan, Sang Loon; Kwong, Huey Chong; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1284 - 1290
• a: 8.9311 ± 0.0003 Å
• b: 17.2458 ± 0.0006 Å
• c: 15.6857 ± 0.0005 Å
• α: 90°
• β: 99.361 ± 0.003°
• γ: 90°
• Cell volume: 2383.8 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0264
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes