Information card for entry 2213070

Structure parameters

• Chemical name: [O-Methyl N-(4-chlorophenyl)thiocarbamato-κS](triethylphosphine-κP)gold(I)
• Formula: C14 H22 Au Cl N O P S
• Calculated formula: C14 H22 Au Cl N O P S
• SMILES: [Au](S\C(=N/c1ccc(Cl)cc1)OC)[P](CC)(CC)CC
• Title of publication: [<i>O</i>-Methyl <i>N</i>-(4-chlorophenyl)thiocarbamato-κ<i>S</i>](triethylphosphine-κ<i>P</i>)gold(I)
• Authors of publication: Primjira P. Tadbuppa; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1101 - m1102
• a: 21.5192 ± 0.0009 Å
• b: 21.5192 ± 0.0009 Å
• c: 7.7834 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3604.3 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes