Information card for entry 7236981

Structure parameters

• Formula: C34 H32 Cl4 F6 Ir N6 P
• Calculated formula: C34 H32 Cl4 F6 Ir N6 P
• Title of publication: Fluorine-free, highly efficient, blue-green and sky-blue-emitting cationic iridium complexes and their use for efficient organic light-emitting diodes
• Authors of publication: He, Lei; Lan, Ying; Ma, Dongxin; Song, Xiangzhi; Duan, Lian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1509
• a: 14.518 ± 0.003 Å
• b: 13.853 ± 0.003 Å
• c: 18.94 ± 0.004 Å
• α: 90°
• β: 94.98 ± 0.03°
• γ: 90°
• Cell volume: 3794.8 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 7
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No