Information card for entry 2236084

Structure parameters

• Chemical name: Tetraaquabis(6-chloropyridine-3-carboxylato-κ<i>O</i>)nickel(II) tetrahydrate
• Formula: C12 H22 Cl2 N2 Ni O12
• Calculated formula: C12 H22 Cl2 N2 Ni O12
• SMILES: n1c(Cl)ccc(c1)C(=O)O[Ni](OC(=O)c1ccc(nc1)Cl)([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Tetraaquabis(6-chloropyridine-3-carboxylato-κ<i>O</i>)nickel(II) tetrahydrate
• Authors of publication: Xia, Qiao-Hua; Guo, Zhong-Fu; Liu, Li; Lv, Jian-Quan; Li, Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1393
• a: 7.0245 ± 0.0014 Å
• b: 7.3436 ± 0.0015 Å
• c: 11.547 ± 0.002 Å
• α: 86.35 ± 0.03°
• β: 77.78 ± 0.03°
• γ: 64.55 ± 0.03°
• Cell volume: 525.4 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes