Information card for entry 7125378

Structure parameters

• Formula: C50 H36 F6 Ir N4 O2 P S2
• Calculated formula: C50 H36 F6 Ir N4 O2 P S2
• Title of publication: Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.
• Authors of publication: Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 57
• Pages of publication: 8215 - 8218
• a: 9.0612 ± 0.0005 Å
• b: 10.7892 ± 0.0006 Å
• c: 25.3691 ± 0.0014 Å
• α: 90°
• β: 97.738 ± 0.001°
• γ: 90°
• Cell volume: 2457.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0567
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No