Information card for entry 4515419

Structure parameters

• Formula: C36 H23 B F8 Ir N5
• Calculated formula: C36 H23 B F8 Ir N5
• Title of publication: Controlling Ion Distribution for High-Performance Organic Light-Emitting Diodes Based on Sublimable Cationic Iridium(III) Complexes.
• Authors of publication: Ma, Dongxin; Zhang, Chen; Liu, Ruihuan; Qiu, Yong; Duan, Lian
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 35
• Pages of publication: 29814 - 29823
• a: 8.7445 ± 0.0017 Å
• b: 13.214 ± 0.003 Å
• c: 14.928 ± 0.003 Å
• α: 81.44 ± 0.03°
• β: 78.88 ± 0.03°
• γ: 77.27 ± 0.03°
• Cell volume: 1640.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 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: 0.0985
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2283
• Weighted residual factors for all reflections included in the refinement: 0.2664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No