Information card for entry 8105439

Structure parameters

• Formula: C34 H38 Au N2 O4 P S
• Calculated formula: C34 H38 Au N2 O4 P S
• SMILES: [Au](S/C(=N\c1ccc(N(=O)=O)cc1)OCC)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.O1CCCC1
• Title of publication: Crystal structure of [O-ethyl N-(4-nitrophenyl)thiocarbamato-κS](tri-4-tolylphosphine-κP)gold(I) tetrahydrofuran solvate, C30H30AuN2O3PS, C4H8O
• Authors of publication: Kuan, Fong Sheen; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1267 - 1269
• a: 10.2034 ± 0.0008 Å
• b: 11.5755 ± 0.0009 Å
• c: 15.7533 ± 0.0012 Å
• α: 69.948 ± 0.002°
• β: 86.496 ± 0.002°
• γ: 71.37 ± 0.002°
• Cell volume: 1653.8 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No