Information card for entry 7708696

Structure parameters

• Formula: C42 H50 B9 Ir N4
• Calculated formula: C42 H50 B9 Ir N4
• Title of publication: Three types of charged ligand-based neutral phosphorescent iridium(iii) complexes featuring nido-carborane: synthesis, structures, and solution processed organic light-emitting diode applications
• Authors of publication: Li, Qiuxia; Shi, Chao; Huang, Manli; Zhang, Xinghua; Sun, Fangxiang; Zheng, Ying; Yan, Hong; Yang, Chuluo; Yuan, Aihua
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 14.6519 ± 0.0007 Å
• b: 14.2649 ± 0.0007 Å
• c: 23.4999 ± 0.0012 Å
• α: 90°
• β: 107.706 ± 0.001°
• γ: 90°
• Cell volume: 4679 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No