Information card for entry 2211361

Structure parameters

• Chemical name: trans-Aquabis(quinoline-2-carboxylato-κ^2^N,O)cobalt(II)
• Formula: C20 H14 Co N2 O5
• Calculated formula: C20 H14 Co N2 O5
• SMILES: [Co]12(OC(=O)c3[n]1c1c(cc3)cccc1)(OC(=O)c1[n]2c2c(cc1)cccc2)[OH2]
• Title of publication: <i>trans</i>-Aquabis(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(II)
• Authors of publication: Yuan, Wen-Bing; Wu, Shan-Shan; Liu, Ming; Wang, Hai-Yang; Zhang, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3263 - m3264
• a: 7.753 ± 0.001 Å
• b: 7.62 ± 0.002 Å
• c: 29.94 ± 0.005 Å
• α: 90°
• β: 97.05 ± 0.01°
• γ: 90°
• Cell volume: 1755.4 ± 0.6 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: 0.0678
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes