Information card for entry 7207700

Structure parameters

• Formula: C64 H46 Cl3 Ir N6 S3
• Calculated formula: C64 H46 Cl3 Ir N6 S3
• SMILES: c1csc2c3c(cc(cc3)N(c3ccccc3)c3ccccc3)[Ir]34(c5c(c6[n]3ccs6)ccc(c5)N(c3ccccc3)c3ccccc3)(c3c(c5[n]4ccs5)ccc(c3)N(c3ccccc3)c3ccccc3)[n]12.C(Cl)(Cl)Cl
• Title of publication: Thiazole-based metallophosphors of iridium with balanced carrier injection/transporting features and their two-colour WOLEDs fabricated by both vacuum deposition and solution processing-vacuum deposition hybrid strategy
• Authors of publication: Yang, Xiaolong; Zhao, Yongbiao; Zhang, Xinwen; Li, Rui; Dang, Jingshuang; Li, Yan; Zhou, Guijiang; Wu, Zhaoxin; Ma, Dongge; Wong, Wai-Yeung; Zhao, Xiang; Ren, Aimin; Wang, Lixiang; Hou, Xun
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 15
• Pages of publication: 7136
• a: 12.6085 ± 0.0012 Å
• b: 13.1762 ± 0.0013 Å
• c: 17.001 ± 0.0016 Å
• α: 84.885 ± 0.002°
• β: 85.729 ± 0.002°
• γ: 82.363 ± 0.002°
• Cell volume: 2782.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No