Information card for entry 7233112

Structure parameters

• Formula: C27 H16 Cl2 F4 Ir N5 O2
• Calculated formula: C27 H16 Cl2 F4 Ir N5 O2
• Title of publication: Highly efficient blue phosphorescent and electroluminescent Ir(III) compounds
• Authors of publication: Youngjin Kang; Yi-Lu Chang; Jia-Sheng Lu; Soo-Byung Ko; Yingli Rao; Maria Varlan; Zheng-Hong Luc; Suning Wang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 441 - 450
• a: 34.9751 ± 0.0013 Å
• b: 9.6151 ± 0.0003 Å
• c: 15.9638 ± 0.0006 Å
• α: 90°
• β: 109.068 ± 0.002°
• γ: 90°
• Cell volume: 5073.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No