Information card for entry 2311423

Structure parameters

• Chemical name: {<i>O</i>-Ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>}(tri-4-tolylphosphane-κ<i>P</i>)gold(I)
• Formula: C30 H30 Au N2 O3 P S
• Calculated formula: C30 H30 Au N2 O3 P S
• SMILES: [Au](S/C(=N\c1ccc(N(=O)=O)cc1)OCC)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: New monoclinic form of {<i>O</i>-Ethyl <i>N</i>-(4-nitro-phen-yl)thio-carbamato-κ<i>S</i>}(tri-4-tolyl-phosphane-κ<i>P</i>)gold(I): crystal structure and Hirshfeld surface analysis.
• Authors of publication: Kuan, Fong Sheen; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1465 - 1471
• a: 9.8815 ± 0.0006 Å
• b: 14.0448 ± 0.0009 Å
• c: 21.2332 ± 0.0013 Å
• α: 90°
• β: 99.924 ± 0.002°
• γ: 90°
• Cell volume: 2902.7 ± 0.3 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: 0.0429
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No