Information card for entry 4519211

Structure parameters

• Formula: C34.5 H30 Cl3 F9 Ir N9 O
• Calculated formula: C34.5 H30 Cl3 F9 Ir N9 O
• Title of publication: Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.
• Authors of publication: You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 49
• Pages of publication: 59023 - 59034
• a: 10.4994 ± 0.0004 Å
• b: 12.6662 ± 0.0005 Å
• c: 16.1742 ± 0.0006 Å
• α: 70.579 ± 0.001°
• β: 87.756 ± 0.001°
• γ: 82.335 ± 0.001°
• Cell volume: 2010.42 ± 0.13 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No