Information card for entry 4519208

Structure parameters

• Formula: C32 H25 Cl4 F9 Ir N9
• Calculated formula: C32 H25 Cl4 F9 Ir N9
• Title of publication: Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.
• Authors of publication: You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 49
• Pages of publication: 59023 - 59034
• a: 9.856 ± 0.002 Å
• b: 12.359 ± 0.003 Å
• c: 16.757 ± 0.006 Å
• α: 100.074 ± 0.011°
• β: 92.094 ± 0.01°
• γ: 105.761 ± 0.011°
• Cell volume: 1926.5 ± 0.9 ų
• Cell temperature: 214 ± 2 K
• Ambient diffraction temperature: 214 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0789
• 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