Information card for entry 7713947

Structure parameters

• Formula: C40 H42 N8 O20 Tb2
• Calculated formula: C40 H42 N8 O20 Tb2
• SMILES: [Tb]123456([O](CCOCCNC7=[O][Tb]89%10%11([O](CC[N]9=Cc9cc(N(=O)=O)ccc9O8)CCOCCNC(=[O]3)c3c([O]4%11)cccc3)([O]1c1c7cccc1)[O]=N(=O)O%10)CC[N]5=Cc1cc(N(=O)=O)ccc1O2)ON(=[O]6)=O
• Title of publication: A Lanthanide Luminescence Sensor for Detection of 4-nitrophenol in Aqueous Media
• Authors of publication: Song, Xue-Qin; Song, Fu-Qiang; Zhang, Pei; Li, Juan
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.002 ± 0.0005 Å
• b: 15.5597 ± 0.0005 Å
• c: 24.3406 ± 0.0009 Å
• α: 90°
• β: 99.222 ± 0.004°
• γ: 90°
• Cell volume: 5608.3 ± 0.3 ų
• Cell temperature: 173.2 ± 0.1 K
• Ambient diffraction temperature: 173.2 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No