Information card for entry 7237731

Structure parameters

• Formula: C51 H41 F6 Ir N5 S2
• Calculated formula: C51 H41 F6 Ir N5 S2
• Title of publication: Efficient phosphorescent red iridium(iii) complexes containing a four-membered Ir‒S‒C‒S ring backbone and large hindered spacers for high-performance OLEDs
• Authors of publication: Lu, Guang-Zhao; Li, Xiaokang; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 3862
• a: 8.2104 ± 0.0006 Å
• b: 14.8349 ± 0.0011 Å
• c: 20.6198 ± 0.0015 Å
• α: 74.725 ± 0.001°
• β: 79.586 ± 0.001°
• γ: 77.399 ± 0.001°
• Cell volume: 2344.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No