Information card for entry 2241850

Structure parameters

• Chemical name: [(<i>Z</i>-<i>N</i>-(2-methylphenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>)(triphenylphosphane)-κ<i>P</i>]gold(I)
• Formula: C27 H25 Au N O P S
• Calculated formula: C27 H25 Au N O P S
• SMILES: [Au](SC(=N\c1c(cccc1)C)/OC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A non-solvated form of [(<i>Z</i>-<i>N</i>-(2-methylphenyl)-<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: 10
• Pages of publication: 1446 - 1452
• a: 9.3884 ± 0.0008 Å
• b: 10.061 ± 0.0008 Å
• c: 13.3572 ± 0.0011 Å
• α: 96.194 ± 0.001°
• β: 102.487 ± 0.001°
• γ: 99.443 ± 0.001°
• Cell volume: 1201.6 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes