Information card for entry 7705443

Structure parameters

• Formula: C48.5 H27 Cl5 F12 Ir N5 O2.5 S2
• Calculated formula: C48.5 H27 Cl5 F12 Ir N5 O2.5 S2
• Title of publication: High stability and luminance efficiency thieno[2,3-<i>d</i>]pyridazine-based iridium complexes and their applications in high-performance yellow OLEDs.
• Authors of publication: Mei, Qunying; Sheng, Ren; Cheng, Wei; Zhang, Jie; Wang, Ping; Mei, Qunbo; Chen, Ping; Tong, Bihai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13797 - 13804
• a: 13.0584 ± 0.0013 Å
• b: 14.2394 ± 0.0014 Å
• c: 14.9471 ± 0.0015 Å
• α: 95.291 ± 0.003°
• β: 103.753 ± 0.003°
• γ: 103.358 ± 0.003°
• Cell volume: 2594.6 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No