Information card for entry 7013419

Structure parameters

• Formula: C13 H8 Au N3 S2
• Calculated formula: C13 H8 Au N3 S2
• SMILES: [Au]1(c2ccccc2c2[n]1cccc2)(SC#N)N=C=S
• Title of publication: Synthesis, characterization, and biological activities of 2-phenylpyridine gold(iii) complexes with thiolate ligandsElectronic supplementary information (ESI) available: ESMS data. See http://www.rsc.org/suppdata/dt/b3/b307610e/
• Authors of publication: Fan, Daming; Yang, Chang-Tong; Ranford, John D.; Vittal, Jagadese J.; Foo Lee, Peng
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3376
• a: 26.745 ± 0.001 Å
• b: 5.7751 ± 0.0003 Å
• c: 9.266 ± 0.0005 Å
• α: 90°
• β: 107.948 ± 0.001°
• γ: 90°
• Cell volume: 1361.53 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No