Information card for entry 2208577

Structure parameters

• Chemical name: trans-diaquabis(picolinato-κ^2^N,O)cobalt(II) dihydrate
• Formula: C12 H16 Co N2 O8
• Calculated formula: C12 H16 Co N2 O8
• SMILES: [Co]12([OH2])([OH2])(OC(=O)c3[n]1cccc3)OC(=O)c1[n]2cccc1.O.O
• Title of publication: Redetermination of <i>trans</i>-diaquabis(picolinato-κ^2^<i>N</i>,<i>O</i>)cobalt(II) dihydrate
• Authors of publication: Heren, Zerrin; Ersanlı, Cem Cüneyt; Keser, Cem; Ocak Ískeleli, Nazan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m796 - m798
• a: 9.8093 ± 0.0009 Å
• b: 5.1846 ± 0.0003 Å
• c: 17.5233 ± 0.0016 Å
• α: 90°
• β: 123.78 ± 0.006°
• γ: 90°
• Cell volume: 740.74 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No