Information card for entry 7127720

Structure parameters

• Common name: 2 in manuscript
• Formula: C23 H18 Au O P S3
• Calculated formula: C23 H18 Au O P S3
• SMILES: [Au]([Au](SC(=S)OCC)[P@]1(c2cccc3cccc(c23)c2cscc12)c1ccccc1)(SC(=S)OCC)[P@]1(c2cccc3cccc(c23)c2cscc12)c1ccccc1.[Au]([Au](SC(=S)OCC)[P@@]1(c2cccc3cccc(c23)c2cscc12)c1ccccc1)(SC(=S)OCC)[P@@]1(c2cccc3cccc(c23)c2cscc12)c1ccccc1
• Title of publication: Gold(i) complexes based on six-membered phosphorus heterocycles as bio-active molecules against brain cancer.
• Authors of publication: Roesch, Saskia; Fermi, Valentina; Rominger, Frank; Herold-Mende, Christel; Romero-Nieto, Carlos
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 93
• Pages of publication: 14593 - 14596
• a: 12.027 ± 0.003 Å
• b: 12.23 ± 0.003 Å
• c: 33.79 ± 0.009 Å
• α: 83.652 ± 0.004°
• β: 86.895 ± 0.004°
• γ: 62.035 ± 0.003°
• Cell volume: 4362.9 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.148
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No