Information card for entry 7125375

Structure parameters

• Formula: C50.04 H35.42 F6 Ir N4 O2 P S2
• Calculated formula: C50.05 H35.7 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: 9.0479 ± 0.0009 Å
• b: 10.7246 ± 0.0011 Å
• c: 25.204 ± 0.003 Å
• α: 90°
• β: 98.105 ± 0.004°
• γ: 90°
• Cell volume: 2421.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 192.98 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: 0.0513
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No