Information card for entry 2220426

Structure parameters

• Chemical name: Bis[3,5-difluoro-2-(2-pyridyl)phenyl](picolinato)iridium(III)
• Formula: C28 H16 F4 Ir N3 O2
• Calculated formula: C28 H16 F4 Ir N3 O2
• SMILES: c1cccc2c3c(cc(cc3[Ir]34(c5c(c6cccc[n]36)c(cc(c5)F)F)([n]12)[n]1c(cccc1)C(=O)O4)F)F
• Title of publication: Bis[3,5-difluoro-2-(2-pyridyl)phenyl](picolinato)iridium(III)
• Authors of publication: Xu, Mao-Liang; Che, Guang-Bo; Li, Xiu-Ying; Xiao, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m28
• a: 16.469 ± 0.003 Å
• b: 14.677 ± 0.003 Å
• c: 19.612 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4740.5 ± 1.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes