Information card for entry 7047159

Structure parameters

• Formula: C67 H59 Cl2 Ir N6
• Calculated formula: C67 H59 Cl2 Ir N6
• Title of publication: High efficiency green OLEDs based on homoleptic iridium complexes with steric phenylpyridazine ligands.
• Authors of publication: Tong, Bihai; Wang, Han; Chen, Man; Zhou, Shixiong; Hu, Yuanyuan; Zhang, Qianfeng; He, Gufeng; Fu, Lianshe; Shi, Huatian; Jin, Long; Zhou, Huidong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12243 - 12252
• a: 15.1336 ± 0.0016 Å
• b: 16.1293 ± 0.0017 Å
• c: 23.422 ± 0.002 Å
• α: 90°
• β: 107.389 ± 0.001°
• γ: 90°
• Cell volume: 5455.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No