Information card for entry 7707401

Structure parameters

• Formula: C40 H26 F12 Ir N8 P
• Calculated formula: C40 H26 F12 Ir N8 P
• Title of publication: Green to blue-green-emitting cationic iridium complexes with a CF₃-substituted phenyl-triazole type cyclometalating ligand: synthesis, characterization and their use for efficient light-emitting electrochemical cells.
• Authors of publication: Yu, Renyou; Song, Yongjun; Chen, Mengzhen; He, Lei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 8084 - 8095
• a: 12.1625 ± 0.0012 Å
• b: 25.39 ± 0.003 Å
• c: 13.6983 ± 0.0014 Å
• α: 90°
• β: 101.029 ± 0.002°
• γ: 90°
• Cell volume: 4152 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No