Information card for entry 7237734

Structure parameters

• Formula: C131 H80 B2 F48 Ir2 N14 O
• Calculated formula: C131 H80 B2 F48 Ir2 N14 O
• Title of publication: High-efficiency blue‒green electroluminescence from sublimable cationic iridium(iii) complexes with a pyrazole-type ligand
• Authors of publication: Zhang, Chen; Ma, Dongxin; Liu, Ruihuan; Duan, Lian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 3503
• a: 24.096 ± 0.005 Å
• b: 17.106 ± 0.003 Å
• c: 31.46 ± 0.006 Å
• α: 90°
• β: 95.12 ± 0.03°
• γ: 90°
• Cell volume: 12916 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1542
• Residual factor for significantly intense reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.3081
• Weighted residual factors for all reflections included in the refinement: 0.3465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No