Information card for entry 7237947

Structure parameters

• Formula: C38 H26 Cl3 Ir N4 O2
• Calculated formula: C38 H26 Cl3 Ir N4 O2
• Title of publication: Iridium(iii) phosphors with rigid fused-heterocyclic chelating architectures for efficient deep-red/near-infrared emissions in polymer light-emitting diodes
• Authors of publication: You, Caifa; Liu, Denghui; Meng, Fanyuan; Wang, Yafei; Yu, Junting; Wang, Song; Su, Shijian; Zhu, Weiguo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 35
• Pages of publication: 10961
• a: 9.9655 ± 0.0009 Å
• b: 12.2501 ± 0.0011 Å
• c: 13.6017 ± 0.0012 Å
• α: 85.163 ± 0.002°
• β: 88.64 ± 0.002°
• γ: 80.607 ± 0.002°
• Cell volume: 1632.3 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0478
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No