Information card for entry 7708697

Structure parameters

• Formula: C44 H54 B9 Cl4 Ir N4
• Calculated formula: C43.999 H53.998 B9 Cl3.998 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: 12.292 ± 0.003 Å
• b: 13.345 ± 0.003 Å
• c: 16.243 ± 0.004 Å
• α: 97.597 ± 0.003°
• β: 91.556 ± 0.003°
• γ: 116.084 ± 0.003°
• Cell volume: 2361.2 ± 1 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 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: 0.0811
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No