Information card for entry 2211878

Structure parameters

• Chemical name: catena-poly[[[diaqua(6-carboxypyridine-2-carboxylato-κ^3^O,N,O')erbium(III)]- μ-pyridine-2,6-dicarboxylato-κ^4^O,N,O':O] tetrahydrate]
• Formula: C14 H19 Er N2 O14
• Calculated formula: C14 H19 Er N2 O14
• SMILES: [Er]1234([O]=C(O)c5[n]3c(ccc5)C(=O)O1)(OC(=O)c1[n]4c(ccc1)C(=O)O2)([OH2])([OH2])[O]=C1O[Er]234([O]=C(O)c5[n]3c(ccc5)C(=O)O2)(OC(=O)c2[n]4c1ccc2)([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>O</i>,<i>N</i>,<i>O</i>')erbium(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>] tetrahydrate]
• Authors of publication: Cui-Xia Cheng; Hao-Wen Liu; Zong-Qiu Hu; Fei-Hua Luo; Min-Na Cao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m1 - m3
• a: 13.9915 ± 0.0015 Å
• b: 11.2079 ± 0.0012 Å
• c: 12.8282 ± 0.0014 Å
• α: 90°
• β: 102.439 ± 0.002°
• γ: 90°
• Cell volume: 1964.4 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes