Information card for entry 2214926

Structure parameters

• Chemical name: poly[aquasodium(I) [[aquasamarium(III)]- di-μ-aqua-μ~3~-pyridine-2,6-dicarboxylato-μ~2~-pyridine-2,6-dicarboxylato] trihydrate]
• Formula: C14 H20 N2 Na O15 Sm
• Calculated formula: C14 H20 N2 Na O15 Sm
• SMILES: [Sm]1234([n]5c(C(=O)O1)cccc5C(=O)O2)([n]1c(C(=O)O3)cccc1C(=O)O4)([OH2])([OH2])[OH2].[Na+].O.O.O.O
• Title of publication: Reinvestigation of layered poly[aquasodium(I) [[aquasamarium(III)]-di-μ-aqua-μ~3~-pyridine-2,6-dicarboxylato-μ~2~-pyridine-2,6-dicarboxylato] trihydrate]
• Authors of publication: Ikarashi, Kazuya; Taoyun, Zhu; Uematsu, Kazuyoshi; Toda, Kenji; Sato, Mineo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2203 - m2204
• a: 11.2065 ± 0.0004 Å
• b: 17.4485 ± 0.0003 Å
• c: 11.3728 ± 0.0004 Å
• α: 90°
• β: 98.163 ± 0.001°
• γ: 90°
• Cell volume: 2201.27 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes