Information card for entry 7237307

Structure parameters

• Formula: C59 H62 Cl2 F6 Ir N4 O2 P
• Calculated formula: C59 H62 Cl2 F6 Ir N4 O2 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: 10.6303 ± 0.0002 Å
• b: 21.0524 ± 0.0005 Å
• c: 12.4988 ± 0.0003 Å
• α: 90°
• β: 93.553 ± 0.002°
• γ: 90°
• Cell volume: 2791.77 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No