Information card for entry 7237310

Structure parameters

• Formula: C60 H82 F6 Ir N4 O P
• Calculated formula: C60 H82 F6 Ir N4 O P
• Title of publication: Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells
• Authors of publication: Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 6385
• a: 10.7101 ± 0.0001 Å
• b: 20.1747 ± 0.0002 Å
• c: 14.3187 ± 0.0001 Å
• α: 90°
• β: 108.533 ± 0.001°
• γ: 90°
• Cell volume: 2933.44 ± 0.05 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No