Information card for entry 7237863

Structure parameters

• Formula: C53 H48 B Cl6 Ir N2 O6 S2
• Calculated formula: C53 H48 B Cl6 Ir N2 O6 S2
• 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: 13.614 ± 0.004 Å
• b: 14.015 ± 0.004 Å
• c: 15.677 ± 0.004 Å
• α: 81.078 ± 0.012°
• β: 79.523 ± 0.012°
• γ: 67.633 ± 0.01°
• Cell volume: 2707.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0491
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No