Information card for entry 7054832

Structure parameters

• Formula: C35 H24 F Ir N6
• Calculated formula: C35 H24 F Ir N6
• SMILES: c1cccc2c3n([Ir]45(c6ccccc6c6cccc[n]46)(c4ccccc4c4cccc[n]54)[n]12)nc(c1ccc(cc1)F)n3
• 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: 13.163 ± 0.007 Å
• b: 20.032 ± 0.011 Å
• c: 23.737 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6259 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No