Information card for entry 7247276

Structure parameters

• Formula: C57 H44 Ag2 F6 N6 O6 P2 S2
• Calculated formula: C57 H44 Ag2 F6 N6 O6 P2 S2
• SMILES: [Ag]1([n]2cccc3c2c2[n]1cccc2cc3)[P](c1ccccc1)(CN(c1ncccc1)C[P]([Ag]1[n]2cccc3ccc4c([n]1ccc4)c23)(c1ccccc1)c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment
• Authors of publication: Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 38
• Pages of publication: 5405 - 5412
• a: 13.589 ± 0.003 Å
• b: 18.55 ± 0.004 Å
• c: 24.627 ± 0.005 Å
• α: 80.807 ± 0.003°
• β: 89.307 ± 0.003°
• γ: 89.793 ± 0.005°
• Cell volume: 6128 ± 2 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No