Information card for entry 7127174

Structure parameters

• Formula: C28 H35 Lu N10 O18
• Calculated formula: C28 H35 Lu N10 O18
• SMILES: C1(=O)C(=O)O[Lu]234(OC(C(=O)O2)=O)(OC(=O)C(=O)O3)(OC(=O)C(=O)O4)O1.c1n(cc[nH+]1)C.c1c[nH+]cn1C.c1cn(C)c[nH+]1.c1c[nH+]cn1C.Cn1cc[nH+]c1.O.O
• Title of publication: Rationally designed rare earth separation by selective oxalate solubilization.
• Authors of publication: Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 77
• Pages of publication: 11386 - 11389
• a: 12.0002 ± 0.0002 Å
• b: 17.5085 ± 0.0003 Å
• c: 18.066 ± 0.0004 Å
• α: 90°
• β: 98.6189 ± 0.0008°
• γ: 90°
• Cell volume: 3752.9 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No