Information card for entry 7233131

Structure parameters

• Formula: C41 H35 Ir N2 O4
• Calculated formula: C41 H35 Ir N2 O4
• SMILES: c1ccccc1Oc1cc2c(cc1)c1ccc(c[n]1[Ir]132(c2cc(ccc2c2ccc(c[n]12)C)Oc1ccccc1)OC(=CC(C)=[O]3)C)C
• Title of publication: Highly efficient iridium(III) phosphors with phenoxy-substituted ligands and their high-performance OLEDs
• Authors of publication: Guiping Tan; Shuming Chen; Ning Sun; Yanhu Li; Daniel Fortin; Wai-Yeung Wong; Hoi-Sing Kwok; Dongge Ma; Hongbin Wu; Lixiang Wang; Pierre D. Harvey
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 808 - 821
• a: 10.1672 ± 0.0011 Å
• b: 11.4723 ± 0.0013 Å
• c: 29.66 ± 0.003 Å
• α: 90°
• β: 95.018 ± 0.002°
• γ: 90°
• Cell volume: 3446.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No