Information card for entry 7718174

Structure parameters

• Formula: C61 H48 Cl6 F3 Ir N6 O2
• Calculated formula: C61 H48 Cl6 F3 Ir N6 O2
• Title of publication: Circularly polarized narrowband phosphorescent organic light-emitting diodes.
• Authors of publication: Wu, Shaohua; Chen, Ping; Xia, Xiaoyang; Wang, Wenya; Xie, Qifei; Qi, Yanyu; Han, Huabo; Zhou, Liang; Lu, Guangzhao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 5805 - 5811
• a: 17.2107 ± 0.0005 Å
• b: 17.8095 ± 0.0004 Å
• c: 18.4348 ± 0.0003 Å
• α: 90°
• β: 92.706 ± 0.002°
• γ: 90°
• Cell volume: 5644.2 ± 0.2 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No