Information card for entry 1559120

Structure parameters

• Formula: C18 H18 Au F6 N2 O P S2
• Calculated formula: C18 H18 Au F6 N2 O P S2
• SMILES: [Au]12([S]=C(S1)N1CCCCC1)[n]1c(C(=O)c3c2cccc3)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: 24.858 ± 0.005 Å
• b: 7.8812 ± 0.0016 Å
• c: 21.855 ± 0.004 Å
• α: 90°
• β: 97.33 ± 0.03°
• γ: 90°
• Cell volume: 4246.6 ± 1.5 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 8
• 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: 0.0251
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No