Information card for entry 4517156

Structure parameters

• Formula: C18 H30 N3 Nd O12
• Calculated formula: C18 H30 N3 Nd O12
• SMILES: C1(=O)C[O]2CC(N(C)C)=[O][Nd]34562(O1)(OC(=O)C[O]3CC(N(C)C)=[O]4)OC(=O)C[O]5CC(N(C)C)=[O]6
• Title of publication: Selective Extraction of Light Lanthanides(III) by N,N-Di(2-ethylhexyl)-diglycolamic Acid: A Comparative Study with N,N-Dimethyl-diglycolamic Acid as a Chelator in Aqueous Solutions
• Authors of publication: Ibrahim, Sherif M.; Zhang, Yan; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Gao, Yang; Zhou, Yu; Tian, Guoxin
• Journal of publication: ACS Omega
• Year of publication: 2019
• a: 9.5238 ± 0.0004 Å
• b: 12.2283 ± 0.0006 Å
• c: 13.4495 ± 0.0006 Å
• α: 79.596 ± 0.004°
• β: 80.582 ± 0.004°
• γ: 88.007 ± 0.004°
• Cell volume: 1519.79 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No