Information card for entry 1554680

Structure parameters

• Formula: C27 H18 N4 O Pt
• Calculated formula: C27 H18 N4 O Pt
• SMILES: [Pt]123c4c(ccc5c6ccccc6n(c45)c4cc(cc[n]34)C)Oc3cccc(c13)n1ccc[n]21
• Title of publication: High-color-purity and efficient solution-processable blue phosphorescent light-emitting diodes with Pt(ii) complexes featuring 3ππ* transitions
• Authors of publication: Ma, Huili; Shen, Kang; Wu, Yipei; Xia, Fang; Yu, Feiling; Sun, Zhengyi; Qian, Chunyue; Peng, Qiming; Zhang, Hong-Hai; You, Cong; Xie, Guohua; Hang, Xiao-Chun; Huang, Wei
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 2448
• a: 7.7277 ± 0.0015 Å
• b: 13.36 ± 0.003 Å
• c: 20.072 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2072.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No