Information card for entry 2214064

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqua(6-carboxypyridine-2-carboxylato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>')gadolinium(III)]-μ-pyridine- 2,6-dicarboxylato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>':<i>O</i>''] tetrahydrate]
• Formula: C14 H19 Gd N2 O14
• Calculated formula: C14 H19 Gd N2 O14
• SMILES: [Gd]1234([n]5c(C(=[O]1)O)cccc5C(=O)O2)([n]1c(C(=O)O3)cccc1C(=O)O4)([OH2])([OH2])[O]=C1c2cccc3C(=O)O[Gd]45([n]6c(C(=[O]4)O)cccc6C(=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>O</i>,<i>N</i>,<i>O</i>')gadolinium(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>':<i>O</i>''] 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: 7
• Pages of publication: m1967 - m1967
• a: 14.1267 ± 0.0003 Å
• b: 11.2787 ± 0.0002 Å
• c: 13.0162 ± 0.0002 Å
• α: 90°
• β: 101.728 ± 0.001°
• γ: 90°
• Cell volume: 2030.59 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes