Information card for entry 1554679

Structure parameters

• Formula: C30 H24 N4 O Pt
• Calculated formula: C30 H24 N4 O Pt
• SMILES: [Pt]123c4c(ccc5c4N(c4c5cccc4)c4cc(cc[n]34)C)Oc3cc(cc(c13)n1c(cc(C)[n]21)C)C
• 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: 8.4381 ± 0.0004 Å
• b: 12.133 ± 0.0005 Å
• c: 23.3476 ± 0.0009 Å
• α: 86.889 ± 0.001°
• β: 81.757 ± 0.001°
• γ: 83.205 ± 0.001°
• Cell volume: 2347.31 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No