Information card for entry 7716460

Structure parameters

• Formula: C61 H45 Ir N4 O2 S2
• Calculated formula: C61 H45 Ir N4 O2 S2
• Title of publication: Efficient narrowband yellow organic light-emitting diodes based on iridium(III) complexes with the rigid indolo[3,2,1-<i>jk</i>]carbazole unit.
• Authors of publication: Liu, Qi-Ming; Liu, Xiao-Jia; Zhong, Xiao-Sheng; Huo, Zhong-Zhong; Shen, Zhen; Zheng, You-Xuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 29
• Pages of publication: 12199 - 12207
• a: 16.263 ± 0.0008 Å
• b: 16.987 ± 0.0009 Å
• c: 21.3893 ± 0.0011 Å
• α: 89.937 ± 0.003°
• β: 85.461 ± 0.003°
• γ: 81.121 ± 0.002°
• Cell volume: 5819.5 ± 0.5 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0521
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No