Information card for entry 7006858

Structure parameters

• Formula: C28 H10 F18 N2
• Calculated formula: C28 H10 F18 N2
• 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: 10.4708 ± 0.0012 Å
• b: 11.8225 ± 0.0014 Å
• c: 12.6383 ± 0.0015 Å
• α: 104.597 ± 0.002°
• β: 105.654 ± 0.002°
• γ: 105.656 ± 0.002°
• Cell volume: 1358.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No