Information card for entry 1551348

Structure parameters

• Formula: C46 H44 N10 O6 S2 Zn
• Calculated formula: C46 H44 N10 O6 S2 Zn
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Zn]56([n]12)([n]34)[n]1ccccc1c1cc(cc(c2cccc[n]62)[n]51)c1ccc(N(CC)CC)s1)c1ccc(N(CC)CC)s1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• 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: 13.074 ± 0.002 Å
• b: 13.076 ± 0.002 Å
• c: 15.476 ± 0.003 Å
• α: 99.48 ± 0.002°
• β: 95.071 ± 0.002°
• γ: 105.389 ± 0.002°
• Cell volume: 2491.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.2161
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No