Information card for entry 2022780

Structure parameters

• Chemical name: Trisodium tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)samarate(III) tetradecahydrate
• Formula: C21 H37 N3 Na3 O26 Sm
• Calculated formula: C21 H37 N3 Na3 O26 Sm
• Title of publication: Crystal structures of two SmIII complexes with dipicolinate [DPA]2− ligands: comparison of luminescent properties of products obtained at different pH values
• Authors of publication: Mortensen, Sabina Svava; Sørensen, Thomas Just
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• a: 10.2674 ± 0.001 Å
• b: 10.9688 ± 0.001 Å
• c: 17.157 ± 0.0016 Å
• α: 73.835 ± 0.003°
• β: 77.573 ± 0.003°
• γ: 72.894 ± 0.003°
• Cell volume: 1754.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes