Information card for entry 2236742

Structure parameters

• Chemical name: Tetraaquabis(6-chloropyridine-3-carboxylato-κ<i>O</i>)cobalt(II) tetrahydrate
• Formula: C12 H22 Cl2 Co N2 O12
• Calculated formula: C12 H22 Cl2 Co N2 O12
• SMILES: c1cc(cnc1Cl)C(=O)O[Co]([OH2])([OH2])(OC(=O)c1ccc(nc1)Cl)([OH2])[OH2].O.O.O.O
• Title of publication: Tetraaquabis(6-chloropyridine-3-carboxylato-κ<i>O</i>)cobalt(II) tetrahydrate
• Authors of publication: Xia, Qiao-Hua; Zhang, Yue; Liu, Li; Shi, Lin-Fang; Li, Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1394
• a: 7.0314 ± 0.0014 Å
• b: 7.3569 ± 0.0015 Å
• c: 11.564 ± 0.002 Å
• α: 86.41 ± 0.03°
• β: 77.75 ± 0.03°
• γ: 64.8 ± 0.03°
• Cell volume: 528.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes