Information card for entry 7247277

Structure parameters

• Formula: C46 H36 Ag F3 N6 O3 P2 S
• Calculated formula: C46 H36 Ag F3 N6 O3 P2 S
• 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: 13.9056 ± 0.0002 Å
• b: 22.9786 ± 0.0002 Å
• c: 14.7403 ± 0.0002 Å
• α: 90°
• β: 116.689 ± 0.002°
• γ: 90°
• Cell volume: 4208.17 ± 0.12 ų
• Cell temperature: 172.97 ± 0.1 K
• Ambient diffraction temperature: 172.97 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No