Information card for entry 7054831

Structure parameters

• Formula: C30 H20 F3 Ir N6
• Calculated formula: C30 H20 F3 Ir N6
• SMILES: [Ir]123(c4c(c5cccc[n]25)cccc4)(c2ccccc2c2cccc[n]32)[n]2ccccc2c2n1nc(C(F)(F)F)n2
• Title of publication: Synthesis and photoelectric performances of blue-green emitting iridium phenylpyridine complexes using N,N′-heteroaromatic ancillary ligands
• Authors of publication: Huixia, Xu; Peng, Sun; Dan, Zhao; Tingting, Yang; Yuying, Hao; Hua, Wang; Heping, Shi; Bingshe, Xu
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 5293
• a: 9.307 ± 0.007 Å
• b: 12.792 ± 0.009 Å
• c: 13.798 ± 0.01 Å
• α: 96.684 ± 0.007°
• β: 98.707 ± 0.007°
• γ: 109.386 ± 0.006°
• Cell volume: 1507.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No