Information card for entry 2219673

Structure parameters

• Chemical name: catena-Poly[[[aquacadmium(II)]bis(μ-4-hydroxypyridine-2,6- dicarboxylato)[aquacadmium(II)]di-μ-aqua] tetrahydrate]
• Formula: C14 H22 Cd2 N2 O18
• Calculated formula: C14 H22 Cd2 N2 O18
• SMILES: [Cd]1234([O](C(=O)c5[n]3c(cc(O)c5)C(=O)O1)[Cd]135([O]4C(=O)c4[n]5c(cc(O)c4)C(=O)O1)([OH2])[OH2][Cd]14([OH2]3)(OC(=O)c3[n]4c(cc(O)c3)C(=O)O1)[OH2])([OH2])[OH2][Cd]13([OH2]2)(OC(=O)c2[n]3c(cc(O)c2)C(=O)O1)[OH2].O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[aquacadmium(II)]bis(μ-4-hydroxypyridine-2,6-dicarboxylato)[aquacadmium(II)]di-μ-aqua] tetrahydrate]
• Authors of publication: Aghabozorg, Hossein; Ilaie, Neda; Heidari, Mohammad; Manteghi, Faranak; Pasdar, Hoda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1351 - m1352
• a: 9.4499 ± 0.0006 Å
• b: 10.8633 ± 0.0007 Å
• c: 11.2086 ± 0.0009 Å
• α: 87.91 ± 0.003°
• β: 74.239 ± 0.002°
• γ: 80.478 ± 0.002°
• Cell volume: 1092.08 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes