Information card for entry 7237864

Structure parameters

• Formula: C41 H29 Cl6 Ir N2 O10 S4
• Calculated formula: C41 H29 Cl6 Ir N2 O10 S4
• Title of publication: Towards high performance solution-processed orange organic light-emitting devices: precisely-adjusting properties of Ir(iii) complexes by reasonably engineering the asymmetric configuration with second functionalized cyclometalating ligands
• Authors of publication: Sun, Yuanhui; Yang, Xiaolong; Liu, Boao; Dang, Jingshuang; Li, Yan; Zhou, Guijiang; Wu, Zhaoxin; Wong, Wai-Yeung
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 29
• Pages of publication: 8836
• a: 14.218 ± 0.005 Å
• b: 21.349 ± 0.007 Å
• c: 15.308 ± 0.005 Å
• α: 90°
• β: 96.21 ± 0.007°
• γ: 90°
• Cell volume: 4619 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No