Information card for entry 4346431

Structure parameters

• Formula: C19 H20 Eu N9 O10
• Calculated formula: C19 H20 Eu N9 O10
• SMILES: [Eu]12345([OH2])([n]6c(ccn6CCCn6ccc(c7[n]3cccc7)[n]56)c3[n]4cccc3)(ON(=[O]1)=O)ON(=O)=[O]2.O=N(=O)[O-]
• Title of publication: Selective Extraction of Americium(III) over Europium(III) with the Pyridylpyrazole Based Tetradentate Ligands: Experimental and Theoretical Study.
• Authors of publication: Wang, Jieru; Su, Dongping; Wang, Dongqi; Ding, Songdong; Huang, Chao; Huang, Huang; Hu, Xiaoyang; Wang, Zhipeng; Li, Shimeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10648 - 10655
• a: 12.4149 ± 0.0003 Å
• b: 13.0847 ± 0.0002 Å
• c: 16.3421 ± 0.0004 Å
• α: 90°
• β: 109.92 ± 0.003°
• γ: 90°
• Cell volume: 2495.86 ± 0.11 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No