Information card for entry 1552136

Structure parameters

• Formula: C30 H31 Cl2 F N5 O10 Sm
• Calculated formula: C30 H31 Cl2 F N5 O10 Sm
• SMILES: c1(ccc(cc1)CC[NH]1Cc2cc(Cl)cc3c2O[Sm]245678([N](=C3)CC[O]4CC[O]5CC[N]2=Cc2cc(cc(c2O6)C1)Cl)(ON(=O)=[O]7)ON(=O)=[O]8)F
• Title of publication: An excellent colorimetric and “turn off” fluorescent probe for tetrahydrofuran based on a luminescent macrocyclic samarium(iii) complex
• Authors of publication: Yang, Zhuo-Ran; Feng, Cheng-Cheng; Nie, Peng-Peng; Chen, Ting-Ting; Zhang, Lin-Feng; Ma, Shuang; Shen, Yin-Jing; Lu, Ze-Ying; Lin, Meng-Lu; Zhang, Kun
• Journal of publication: The Analyst
• Year of publication: 2019
• a: 13.122 ± 0.0012 Å
• b: 13.6316 ± 0.0011 Å
• c: 20.7727 ± 0.0017 Å
• α: 90°
• β: 96.846 ± 0.003°
• γ: 90°
• Cell volume: 3689.2 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 7
• 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: 0.1066
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No