Information card for entry 2236703

Structure parameters

• Chemical name: (μ~2~-Chlorido)-(μ~2~-pyridine-2-carboxylato-1:2κ<i>N</i>,<i>O</i>:<i>O</i>) -dichlorido(ethanol-κ<i>O</i>)bis[<i>N</i>-hydroxy-1-(pyridin-2-yl)methanimine- κ^2^<i>N</i>,<i>N</i>']dicobalt(II)
• Formula: C20 H22 Cl3 Co2 N5 O5
• Calculated formula: C20 H22 Cl3 Co2 N5 O5
• SMILES: [Co]12([O]3[Co]4([Cl]1)([n]1c(C3=O)cccc1)(Cl)[n]1ccccc1C=[N]4O)([n]1ccccc1C=[N]2O)(Cl)[OH]CC
• Title of publication: (μ~2~-Chlorido)-(μ~2~-pyridine-2-carboxylato-1:2κ<i>N</i>,<i>O</i>:<i>O</i>)-dichlorido(ethanol-κ<i>O</i>)bis[<i>N</i>-hydroxy-1-(pyridin-2-yl)methanimine-κ^2^<i>N</i>,<i>N</i>']dicobalt(II)
• Authors of publication: Chen, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1365 - m1366
• a: 8.7443 ± 0.0017 Å
• b: 18.144 ± 0.004 Å
• c: 16.643 ± 0.003 Å
• α: 90°
• β: 99.23 ± 0.03°
• γ: 90°
• Cell volume: 2606.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes