Information card for entry 7059190

Structure parameters

• Formula: C28 H19 F4 Ir N6
• Calculated formula: C28 H19 F4 Ir N6
• Title of publication: Efficient blue, green and red iridium(iii) complexes with noncovalently-linked pyrazole/pyrazolide rings for organic light-emitting diodes
• Authors of publication: Lu, Jun-Jian; Liang, Xiao; Luo, Xu-Feng; Wu, Zheng-Guang; Zheng, You-Xuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 530 - 536
• a: 12.558 ± 0.002 Å
• b: 13.064 ± 0.002 Å
• c: 15.875 ± 0.003 Å
• α: 90°
• β: 102.849 ± 0.003°
• γ: 90°
• Cell volume: 2539.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0606
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No