Information card for entry 4518578

Structure parameters

• Formula: C56 H57 F9 Ir N7 O4
• Calculated formula: C56 H57 F9 Ir N7 O4
• 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: 18.3902 ± 0.0005 Å
• b: 20.8304 ± 0.0005 Å
• c: 15.3854 ± 0.0004 Å
• α: 90°
• β: 111.912 ± 0.0006°
• γ: 90°
• Cell volume: 5468 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No