Information card for entry 1566414

Structure parameters

• Common name: kk00_24
• Formula: C20 H22 N4 S2 Zn
• Calculated formula: C20 H22 N4 S2 Zn
• Title of publication: Kinetics and mechanistic details of bulk ZnO dissolution using a thiol–imidazole system
• Authors of publication: Koskela, Kristopher M.; Quiton, Stephen J.; Sharada, Shaama Mallikarjun; Williams, Travis J.; Brutchey, Richard L.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 38.805 ± 0.005 Å
• b: 6.6795 ± 0.0009 Å
• c: 16.442 ± 0.002 Å
• α: 90°
• β: 91.833 ± 0.002°
• γ: 90°
• Cell volume: 4259.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No