Information card for entry 2011242

Structure parameters

• Chemical name: (4,6-Dimercapto-1,3,5-triazine-2-thiolato-S^2^)tris(triphenylphosphine-P)gold(I) dimethylformamide solvate
• Formula: C60 H54 Au N4 O P3 S3
• Calculated formula: C60 H52 Au N4 O P3 S3
• SMILES: [Au](Sc1nc(S)nc(S)n1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O=CN(C)C
• Title of publication: (4,6-Dimercapto-1,3,5-triazine-2-thiolato-<i>S</i>^2^)tris(triphenylphosphine-<i>P</i>)gold(I) dimethylformamide solvate
• Authors of publication: Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e331 - e332
• a: 13.7053 ± 0.0012 Å
• b: 13.9751 ± 0.0012 Å
• c: 14.4614 ± 0.0012 Å
• α: 80.665 ± 0.002°
• β: 87.283 ± 0.002°
• γ: 87.942 ± 0.002°
• Cell volume: 2729 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No