Information card for entry 2221269

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquaterbium(III)]-μ-6-carboxynicotinato-μ- pyridine-2,5-dicarboxylato] dihydrate]
• Formula: C14 H15 N2 O12 Tb
• Calculated formula: C14 H15 N2 O12 Tb
• SMILES: [Tb]12([n]3c(C(=O)O2)ccc(c3)C(=O)O[Tb]23(OC(=O)c4cnc(C(=O)O)cc4)([n]4c(C(=O)O3)ccc(c4)C(=O)[O-])([n]3c(ccc(c3)C(=O)O1)C(=O)[OH]2)([OH2])[OH2])([OH2])[OH2].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquaterbium(III)]-μ-6-carboxynicotinato-μ-pyridine-2,5-dicarboxylato] dihydrate]
• Authors of publication: Li, Sheng; Zhang, Fu-Li; Wang, Shou-Bin; Bai, Hui-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m410
• a: 15.107 ± 0.002 Å
• b: 15.107 ± 0.002 Å
• c: 14.8587 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3391.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes