Information card for entry 8102518

Structure parameters

• Chemical name: Triaqua-(4-hydroxypyridine-2,6-dicarboxy-N,O,O')cobalt(II) monohydrate, Co[(C~7~NO~5~H~3~)(H~2~O)~3~](H~2~O)
• Formula: C7 H11 Co N O9
• Calculated formula: C7 H11 Co N O9
• SMILES: [Co]12([OH2])([OH2])([OH2])OC(=O)c3[n]2c(cc(O)c3)C(=O)O1.O
• Title of publication: Crystal structure of triaqua-(4-hydroxypyridine-2,6-dicarboxy-N,O,O')cobalt(II) monohydrate, Co(H2O)3(C7NO5H3) · H2O
• Authors of publication: Jian-Ping Zou; Qiu-Ju Xing; Qiang Peng; An-Min Deng; Zhi-Min Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 599
• a: 11.8859 ± 0.0018 Å
• b: 8.2131 ± 0.0013 Å
• c: 12.1894 ± 0.0019 Å
• α: 90°
• β: 117.724 ± 0.002°
• γ: 90°
• Cell volume: 1053.3 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No