Information card for entry 2225550

Structure parameters

• Chemical name: [(<i>Z</i>)-<i>O</i>-ethyl <i>N</i>-phenylthiocarbamato-κ<i>S</i>](tricyclohexylphosphine- κ<i>P</i>)gold(I)
• Formula: C27 H43 Au N O P S
• Calculated formula: C27 H43 Au N O P S
• SMILES: [Au](SC(=N\c1ccccc1)/OCC)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: [(<i>Z</i>)-<i>O</i>-Ethyl <i>N</i>-phenylthiocarbamato-κ<i>S</i>](tricyclohexylphosphine-κ<i>P</i>)gold(I): a monoclinic polymorph
• Authors of publication: Tadbuppa, Primjira P.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m402
• a: 16.1587 ± 0.0007 Å
• b: 9.1138 ± 0.0004 Å
• c: 18.7246 ± 0.0009 Å
• α: 90°
• β: 90.448 ± 0.001°
• γ: 90°
• Cell volume: 2757.4 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.032
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.057
• 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