Information card for entry 7237543

Structure parameters

• Formula: C27 H33 I N2
• Calculated formula: C27 H33 I N2
• 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: 15.9149 ± 0.0011 Å
• b: 20.675 ± 0.0017 Å
• c: 15.4852 ± 0.001 Å
• α: 90°
• β: 95.735 ± 0.005°
• γ: 90°
• Cell volume: 5069.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No