Information card for entry 4336506

Structure parameters

• Formula: C42 H42 F9 Ir N6 O3
• Calculated formula: C42 H42 F9 Ir N6 O3
• Title of publication: Photophysical Properties of Substituted Homoleptic and Heteroleptic Phenylimidazolinato Ir(III) Complexes as a Blue Phosphorescent Material
• Authors of publication: Takashi Karatsu; Masatomo Takahashi; Shiki Yagai; Akihide Kitamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12338 - 12350
• a: 15.1306 ± 0.0005 Å
• b: 15.1306 ± 0.0005 Å
• c: 11.0313 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2187.1 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No