Information card for entry 7233664

Structure parameters

• Formula: C34 H26 F4 Ir N7 O3 S
• Calculated formula: C34 H26 F4 Ir N7 O3 S
• SMILES: [Ir]123([n]4ccccc4c4cn(n[n]14)CCCS(=O)(=O)[O-])([n]1ccccc1c1c(F)cc(F)cc21)[n]1ccccc1c1c(F)cc(F)cc31.N#CC
• Title of publication: Highly efficient blue and deep-blue emitting zwitterionic iridium(III) complexes: synthesis, photophysics and electroluminescence
• Authors of publication: Noviyan Darmawan; Cheng-Han Yang; Matteo Mauro; Roland Frohlich; Luisa De Cola; Chih-Hao Chang; Zih-Jyun Wu; Cheng-Wei Tai
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 2569 - 2582
• a: 22.5873 ± 0.0005 Å
• b: 16.4337 ± 0.0004 Å
• c: 8.511 ± 0.0002 Å
• α: 90°
• β: 97.541 ± 0.001°
• γ: 90°
• Cell volume: 3131.9 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No