Information card for entry 7234140

Structure parameters

• Formula: C33 H20 F8 Ir N5 O
• Calculated formula: C33 H20 F8 Ir N5 O
• Title of publication: Heteroleptic Ir(iii) phosphors with bis-tridentate chelating architecture for high efficiency OLEDs
• Authors of publication: Bihai Tong; Hsiao-Yun Ku; I.-Jen Chen; Yun Chi; Hao-Che Kao; Chia-Chi Yeh; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 3460 - 3471
• a: 8.6674 ± 0.0004 Å
• b: 11.9882 ± 0.0005 Å
• c: 28.3475 ± 0.0012 Å
• α: 90°
• β: 98.2998 ± 0.0011°
• γ: 90°
• Cell volume: 2914.6 ± 0.2 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: 0.0938
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No