Information card for entry 7006861

Structure parameters

• Formula: C34 H30 F18 Ir N2 O12 P3
• Calculated formula: C34 H30 F18 Ir N2 O12 P3
• Title of publication: Synthesis, structural characterization and the first electroluminescent properties of tris- and bis-cycloiridiated complexes of sterically hindered electron-poor 2-(3,5-bis(trifluoromethyl)phenyl)-4-trifluoromethylpyridine.
• Authors of publication: Ionkin, Alex S.; Marshall, William J.; Roe, D. Christopher; Wang, Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 20
• Pages of publication: 2468 - 2478
• a: 10.923 ± 0.006 Å
• b: 14.898 ± 0.008 Å
• c: 15.863 ± 0.008 Å
• α: 64.147 ± 0.008°
• β: 85.432 ± 0.009°
• γ: 85.384 ± 0.009°
• Cell volume: 2313 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No