Information card for entry 2225524

Structure parameters

• Chemical name: [(<i>Z</i>)-<i>O</i>-Isopropyl <i>N</i>-phenylthiocarbamato- κ<i>S</i>](tricyclohexylphosphine-κ<i>P</i>)gold(I)
• Formula: C28 H45 Au N O P S
• Calculated formula: C28 H45 Au N O P S
• SMILES: [Au](SC(=N\c1ccccc1)/OC(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: [(<i>Z</i>)-<i>O</i>-Isopropyl <i>N</i>-phenylthiocarbamato-κ<i>S</i>](tricyclohexylphosphine-κ<i>P</i>)gold(I)
• 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: m429
• a: 19.3312 ± 0.001 Å
• b: 15.1116 ± 0.0007 Å
• c: 19.811 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5787.3 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes