Information card for entry 4518513

Structure parameters

• Formula: C51 H45 Cl4 Ir N4 O2
• Calculated formula: C51 H45 Cl4 Ir N4 O2
• Title of publication: All-Solution-Processed Multilayered White Polymer Light-Emitting Diodes (WPLEDs) Based on Cross-Linked [Ir(4-vb-PBI)₂(acac)].
• Authors of publication: Li, Wentao; He, Yani; Miao, Tiezheng; Lü, Xingqiang; Fu, Guorui; Wong, Wai-Yeung; He, Hongshan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 11096 - 11107
• a: 11.7202 ± 0.0009 Å
• b: 15.0045 ± 0.0013 Å
• c: 15.5031 ± 0.0014 Å
• α: 65.591 ± 0.009°
• β: 88.123 ± 0.007°
• γ: 69.401 ± 0.008°
• Cell volume: 2303.5 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1114
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No