Information card for entry 7233113

Structure parameters

• Formula: C25 H17 F4 Ir N4 O2
• Calculated formula: C25 H17 F4 Ir N4 O2
• SMILES: [Ir]123([n]4ccccc4c4c2cc(F)nc4F)([n]2c(cccc2)c2c3cc(F)nc2F)[O]=C(C)C=C(O1)C
• Title of publication: Highly efficient blue phosphorescent and electroluminescent Ir(III) compounds
• Authors of publication: Youngjin Kang; Yi-Lu Chang; Jia-Sheng Lu; Soo-Byung Ko; Yingli Rao; Maria Varlan; Zheng-Hong Luc; Suning Wang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 441 - 450
• a: 7.6661 ± 0.0001 Å
• b: 18.1556 ± 0.0003 Å
• c: 16.2735 ± 0.0003 Å
• α: 90°
• β: 99.199 ± 0.001°
• γ: 90°
• Cell volume: 2235.86 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0296
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No