Information card for entry 2206030

Structure parameters

• Chemical name: catena-Poly[[[diaqua(6-carboxypyridine-2-carboxylato- κ^3^N,O,O')samarium(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^N,O,O':O''] tetrahydrate]
• Formula: C14 H19 N2 O14 Sm
• Calculated formula: C14 H19 N2 O14 Sm
• SMILES: [Sm]1234([n]5c(cccc5C(=[O]1)O)C(=O)O2)([n]1c(cccc1C(=O)O3)C(=O)O4)([OH2])([OH2])[O]=C1c2cccc3C(=O)O[Sm]45([n]6c(cccc6C(=[O]4)O)C(=O)O5)([n]23)(O1)([OH2])[OH2].O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaqua(6-carboxypyridine-2-carboxylato-κ^3^<i>N,O,O</i>')samarium(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>N,O,O</i>':<i>O</i>''] tetrahydrate]
• Authors of publication: Liu, San-Hui; Li, Yi-Zhi; Meng, Qing-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1111 - m1113
• a: 13.973 ± 0.003 Å
• b: 11.203 ± 0.002 Å
• c: 12.83 ± 0.003 Å
• α: 90°
• β: 102.367 ± 0.004°
• γ: 90°
• Cell volume: 1961.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes