Information card for entry 4344431

Structure parameters

• Formula: C41.5 H43 F6 Ir N7 O1.5
• Calculated formula: C41.5 H43 F6 Ir N7 O1.5
• Title of publication: Ir(III)-Based Phosphors with Bipyrazolate Ancillaries; Rational Design, Photophysics, and Applications in Organic Light-Emitting Diodes.
• Authors of publication: Liao, Jia-Ling; Chi, Yun; Sie, Zong-Ting; Ku, Chia-Hao; Chang, Chih-Hao; Fox, Mark A.; Low, Paul J.; Tseng, Meu-Rurng; Lee, Gene-Hsiang
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10811 - 10821
• a: 12.7383 ± 0.0006 Å
• b: 12.8295 ± 0.0006 Å
• c: 14.6989 ± 0.0007 Å
• α: 65.3518 ± 0.0009°
• β: 76.0091 ± 0.0009°
• γ: 79.6834 ± 0.0011°
• Cell volume: 2110.18 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No