Information card for entry 1559119

Structure parameters

• Formula: C15 H16 Au F6 N2 P S2
• Calculated formula: C15 H16 Au F6 N2 P S2
• SMILES: [Au]12([S]=C(S1)N(C)C)[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: 7.7242 ± 0.0002 Å
• b: 11.1154 ± 0.0002 Å
• c: 21.8365 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1874.83 ± 0.07 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0123
• Residual factor for significantly intense reflections: 0.0117
• Weighted residual factors for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections included in the refinement: 0.0248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No