Information card for entry 4072861

Structure parameters

• Formula: C30 H22 F4 Ir N7 O3
• Calculated formula: C30 H22 F4 Ir N7 O3
• SMILES: [Ir]123([n]4ccc(OC)cc4c4c(F)c(F)ccc24)([n]2c(c4c3ccc(F)c4F)cc(OC)cc2)n2nnnc2c2[n]1cccc2.O
• 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: 29.506 ± 0.0001 Å
• b: 12.048 ± 0.0002 Å
• c: 22.289 ± 0.0003 Å
• α: 90 ± 0.001°
• β: 128.344 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 6214.39 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No