Information card for entry 1559122

Structure parameters

• Formula: C18 H20 Au F6 N2 P S2
• Calculated formula: C18 H20 Au F6 N2 P S2
• SMILES: [Au]12([S]=C(S1)N1CCCCC1)[n]1c(Cc3c2cccc3)cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates
• Authors of publication: Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 14.475 ± 0.0004 Å
• b: 17.9946 ± 0.0005 Å
• c: 8.0979 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2109.27 ± 0.1 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0164
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No