Information card for entry 4518577

Structure parameters

• Formula: C38 H29 F9 Ir N5 O2
• Calculated formula: C38 H29 F9 Ir N5 O2
• Title of publication: Rational Tuning of Bis-Tridentate Ir(III) Phosphors to Deep-Blue with High Efficiency and Sub-microsecond Lifetime
• Authors of publication: Tai, Wun-Shan; Gnanasekaran, Premkumar; Chen, Yi-Yang; Hung, Wen-Yi; Zhou, Xiuwen; Chou, Tai-Che; Lee, Gene-Hsiang; Chou, Pi-Tai; You, Caifa; Chi, Yun
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2021
• a: 11.3831 ± 0.0005 Å
• b: 21.3979 ± 0.0009 Å
• c: 15.0936 ± 0.0007 Å
• α: 90°
• β: 106.685 ± 0.0012°
• γ: 90°
• Cell volume: 3521.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0447
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No