Information card for entry 2015958

Structure parameters

• Chemical name: diaqua(4-oxo-4H-pyran-2,6-dicarboxylato)cadmium monohydrate
• Formula: C7 H8 Cd O9
• Calculated formula: C7 H8 Cd O9
• Title of publication: Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)
• Authors of publication: Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m207 - m215
• a: 5.3262 ± 0.0002 Å
• b: 6.2885 ± 0.0002 Å
• c: 8.1008 ± 0.0003 Å
• α: 97.733 ± 0.002°
• β: 105.055 ± 0.0017°
• γ: 110.436 ± 0.0018°
• Cell volume: 237.795 ± 0.015 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes