Information card for entry 2236672

Structure parameters

• Chemical name: Poly[aqua(μ~2~-pyrimidine-2-carboxylato-κ^4^<i>O</i>,<i>N</i>: <i>O</i>',<i>N</i>')(nitrato-κ<i>O</i>)cadmium]
• Formula: C5 H5 Cd N3 O6
• Calculated formula: C5 H5 Cd N3 O6
• Title of publication: Poly[aqua(μ~2~-pyrimidine-2-carboxylato-κ^4^<i>O</i>,<i>N</i>:<i>O</i>',<i>N</i>')(nitrato-κ<i>O</i>)cadmium]
• Authors of publication: In-noi, Orrasa; Chainok, Kittipnog; Harding, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1349 - m1350
• a: 8.1963 ± 0.0002 Å
• b: 10.1554 ± 0.0003 Å
• c: 11.0057 ± 0.0003 Å
• α: 90°
• β: 107.435 ± 0.003°
• γ: 90°
• Cell volume: 873.99 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes