Information card for entry 7127170

Structure parameters

• Formula: C24 H28 Lu N8 O18
• Calculated formula: C24 H28 Lu N8 O18
• SMILES: [Lu]1234(OC(=O)C(=O)O2)(OC(=O)C(=O)O3)(OC(=O)C(=O)O4)OC(=O)C(O1)=O.[nH+]1cn(cc1)C.[nH+]1ccn(C)c1.[nH+]1ccn(C)c1.c1cn(c[nH+]1)C.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: 12.038 ± 0.005 Å
• b: 17.562 ± 0.005 Å
• c: 18.345 ± 0.007 Å
• α: 90°
• β: 98.384 ± 0.005°
• γ: 90°
• Cell volume: 3837 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No