Information card for entry 4072862

Structure parameters

• Formula: C30 H20 F4 Ir N7 O2
• Calculated formula: C30 H20 F4 Ir N7 O2
• SMILES: [Ir]123([n]4ccc(OC)cc4c4c(F)cc(F)cc24)([n]2ccc(OC)cc2c2c(F)cc(F)cc32)n2nnnc2c2[n]1cccc2
• Title of publication: Photophysical and Electrochemical Properties of Blue Phosphorescent Iridium(III) Complexes
• Authors of publication: Wu, Li-Lan; Yang, Cheng-Hsien; Sun, I-Wen; Chu, Sheng-Yuan; Kao, Po-Ching; Huang, Hsin-Hsuan
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 2017
• a: 8.8669 ± 0.0002 Å
• b: 28.7378 ± 0.0005 Å
• c: 11.275 ± 0.0003 Å
• α: 90°
• β: 103.389 ± 0.001°
• γ: 90°
• Cell volume: 2794.95 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No