Information card for entry 7237816

Structure parameters

• Formula: C50 H30 F6 Ir N4 O2 P S2
• Calculated formula: C50 H30 F6 Ir N4 O2 P S2
• Title of publication: Rapid room temperature synthesis of red iridium(iii) complexes with Ir‒S‒P‒S structures for efficient OLEDs
• Authors of publication: Su, Ning; Yang, Hui-Qing; Shen, Cheng-Zhen; Yan, Zhi-Ping; Chen, Zhao-Xu; Zheng, You-Xuan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 6972
• a: 21.161 ± 0.003 Å
• b: 8.4097 ± 0.001 Å
• c: 26.306 ± 0.003 Å
• α: 90°
• β: 110.612 ± 0.004°
• γ: 90°
• Cell volume: 4381.7 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No