Information card for entry 2214841

Structure parameters

• Chemical name: catena-Poly[[[diaqua(6-carboxypyridine-2-carboxylato)terbium(III)]-μ- pyridine-2,6-dicarboxylato] tetrahydrate]
• Formula: C14 H19 N2 O14 Tb
• Calculated formula: C14 H19 N2 O14 Tb
• SMILES: [Tb]1234([n]5c(C(=O)O1)cccc5C(=[O]2)O)([n]1c(C(=O)O3)cccc1C(=O)O4)([OH2])([OH2])[O]=C1c2cccc3C(=O)O[Tb]45([n]6c(C(=O)O4)cccc6C(=[O]5)O)([n]23)([OH2])([OH2])O1.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaqua(6-carboxypyridine-2-carboxylato)terbium(III)]-μ-pyridine-2,6-dicarboxylato] tetrahydrate]
• Authors of publication: Hao, Lu-Jiang; Yu, Tong-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2182 - m2183
• a: 13.9986 ± 0.0003 Å
• b: 11.3819 ± 0.0002 Å
• c: 12.8982 ± 0.0002 Å
• α: 90°
• β: 102.013 ± 0.001°
• γ: 90°
• Cell volume: 2010.08 ± 0.06 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: 0.0456
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes