Information card for entry 7237959

Structure parameters

• Formula: C29 H18 F6 Ir N3 O3 S
• Calculated formula: C29 H18 F6 Ir N3 O3 S
• Title of publication: Green-emitting iridium(iii) complexes containing pyridine sulfonic acid as ancillary ligands for efficient OLEDs with extremely low efficiency roll-off
• Authors of publication: Zhang, Lin; Yan, Zhi-Ping; Tu, Zhen-Long; Wu, Zheng-Guang; Zheng, You-Xuan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 37
• Pages of publication: 11606
• a: 9.0788 ± 0.0008 Å
• b: 19.4903 ± 0.0017 Å
• c: 31.615 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5594.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No