Information card for entry 7237769

Structure parameters

• Formula: C44 H33 Cl2 Ir N3 O2 S2
• Calculated formula: C43.989 H32.977 Cl1.984 Ir N3 O2 S2
• Title of publication: Ancillary ligand-assisted robust deep-red emission in iridium(iii) complexes for solution-processable phosphorescent OLEDs
• Authors of publication: Kim, Hae Un; Jang, Ho Jin; Choi, Wanuk; Kim, Minjun; Park, Sungjin; Park, Taiho; Lee, Jun Yeob; K. S., Bejoymohandas
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 4143
• a: 19.425 ± 0.004 Å
• b: 17.305 ± 0.003 Å
• c: 22.923 ± 0.01 Å
• α: 90°
• β: 109.86 ± 0.03°
• γ: 90°
• Cell volume: 7247 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No