Information card for entry 2014214

Structure parameters

• Chemical name: catena-Poly[diaquabis(2-chloronicotinato)cadmium(II)]
• Formula: C12 H10 Cd Cl2 N2 O6
• Calculated formula: C12 H10 Cd Cl2 N2 O6
• SMILES: [Cd]1(OC(=O)c2c(Cl)nccc2)([O]=C(O1)c1c(Cl)nccc1)([OH2])([OH2])[n]1c(Cl)c(ccc1)C1=[O][Cd](OC(=O)c2c(Cl)nccc2)(O1)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaquabis(2-chloronicotinato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-2-chloronicotinato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>]
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Ng, Seik Weng; Sun, Zhi-Zhong; Gao, Jin-Sheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m363 - m365
• a: 10.577 ± 0.002 Å
• b: 8.112 ± 0.002 Å
• c: 19.661 ± 0.004 Å
• α: 90°
• β: 105.6 ± 0.03°
• γ: 90°
• Cell volume: 1624.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes