Information card for entry 1551347

Structure parameters

• Formula: C23 H22 N4 S
• Calculated formula: C23 H22 N4 S
• SMILES: s1c(N(CC)CC)ccc1c1cc(nc(c2ncccc2)c1)c1ncccc1
• Title of publication: Enhanced three-photon activity trigged by AIE behavior of a novel terpyridine-based Zn(II) complex bearing thiophene bridge
• Authors of publication: Feng, Zhihui; Li, Dandan; Zhang, Mingzhu; Shao, Tao; shen, yu; Tian, Xiaohe; Zhang, Qiong; Li, Shengli; Wu, Jieying; Tian, Yupeng
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 6.1003 ± 0.0002 Å
• b: 19.2105 ± 0.0009 Å
• c: 16.5303 ± 0.0006 Å
• α: 90°
• β: 90.586 ± 0.003°
• γ: 90°
• Cell volume: 1937.08 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No