Information card for entry 2241754

Structure parameters

• Chemical name: [(<i>Z</i>)-<i>N</i>-(3-Chlorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I)
• Formula: C26 H22 Au Cl N O P S
• Calculated formula: C26 H22 Au Cl N O P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)S/C(=N\c1cc(Cl)ccc1)OC
• Title of publication: A monoclinic polymorph of [(<i>Z</i>)-<i>N</i>-(3-chlorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I): crystal structure and Hirshfeld surface analysis
• Authors of publication: Yeo, Chien Ing; Tan, Sang Loon; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1068 - 1073
• a: 9.0078 ± 0.0004 Å
• b: 17.4732 ± 0.0007 Å
• c: 15.5641 ± 0.0007 Å
• α: 90°
• β: 97.595 ± 0.004°
• γ: 90°
• Cell volume: 2428.22 ± 0.18 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: 0.0575
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes