Information card for entry 7237811

Structure parameters

• Formula: C31 H24 F12 Ir N5 S2
• Calculated formula: C31 H24 F12 Ir N5 S2
• Title of publication: Fast synthesis of iridium(iii) complexes with sulfur-containing ancillary ligand for high-performance green OLEDs with EQE exceeding 31%
• Authors of publication: Lu, Guang-Zhao; Tu, Zhen-Long; Liu, Liang; Zhang, Wen-Wei; Zheng, You-Xuan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 24
• Pages of publication: 7273
• a: 17.763 ± 0.002 Å
• b: 11.7754 ± 0.0014 Å
• c: 17.58 ± 0.002 Å
• α: 90°
• β: 103.941 ± 0.002°
• γ: 90°
• Cell volume: 3568.8 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No