Information card for entry 7237544

Structure parameters

• Formula: C29 H33 F6 N3 O4 S2
• Calculated formula: C29 H33 F6 N3 O4 S2
• Title of publication: Physical vapour deposition of cyanine salts and their first application in organic electronic devices
• Authors of publication: Gesevičius, Donatas; Neels, Antonia; Duchêne, Léo; Hack, Erwin; Heier, Jakob; Nüesch, Frank
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 414
• a: 10.2584 ± 0.0004 Å
• b: 16.0405 ± 0.0005 Å
• c: 18.8625 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3103.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No