Information card for entry 4085831

Structure parameters

• Formula: C108 H90 Cl0 Ir N9
• Calculated formula: C108 H90 Ir N9
• Title of publication: Highly Quantum Efficient Phosphorescent Sky Blue Emitters Based on Diastereomeric Iridium(III) Complexes of Atropisomeric 5-Aryl-4H-1,2,4-triazole Ligands
• Authors of publication: Feldman, Jerald; Vo, Giang D.; McLaren, Charles D.; Gehret, Troy C.; Park, Kyung-Ho; Meth, Jeffrey S.; Marshall, Will J.; Buriak, Joseph; Bryman, Lois M.; Dobbs, Kerwin D.; Scholz, Thomas H.; Zane, Steve G.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3665
• a: 12.8657 ± 0.0018 Å
• b: 16.492 ± 0.002 Å
• c: 24.016 ± 0.003 Å
• α: 93.974 ± 0.002°
• β: 97.318 ± 0.002°
• γ: 105.439 ± 0.002°
• Cell volume: 4843.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0633
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No