Information card for entry 7237308

Structure parameters

• Formula: C51 H62 Cl6 F6 Ir N4 P
• Calculated formula: C51 H62 Cl6 F6 Ir N4 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: 14.5179 ± 0.0004 Å
• b: 14.7719 ± 0.0006 Å
• c: 15.0424 ± 0.0006 Å
• α: 63.787 ± 0.004°
• β: 70.237 ± 0.003°
• γ: 87.517 ± 0.002°
• Cell volume: 2702.2 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No