Information card for entry 2225559

Structure parameters

• Formula: C29 H47 Au N O P S
• Calculated formula: C29 H47 Au N O P S
• SMILES: [Au](SC(=N\c1cc(ccc1)C)/OC(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: [(<i>Z</i>)-<i>O</i>-Isopropyl <i>N</i>-(<i>m</i>-tolyl)thiocarbamato-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: m421
• a: 13.7415 ± 0.0018 Å
• b: 13.3528 ± 0.0018 Å
• c: 16.788 ± 0.002 Å
• α: 90°
• β: 100.308 ± 0.003°
• γ: 90°
• Cell volume: 3030.7 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.072
• 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: No