Information card for entry 2212121

Structure parameters

• Chemical name: Disodium diaquabis(malonato-κ^2^O,O')nickel(II) dihydrate
• Formula: C6 H12 Na2 Ni O12
• Calculated formula: C6 H12 Na2 Ni O12
• SMILES: C1(=O)CC(=O)O[Ni]2([OH2])(O1)(OC(CC(O2)=O)=O)[OH2].O.[Na+].O.[Na+]
• Title of publication: Disodium diaquabis(malonato-κ^2^<i>O</i>,<i>O</i>')nickelate(II) dihydrate
• Authors of publication: Zhu Tao; Li Bao; Yang Guang-Di; Wu Li-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m409 - m410
• a: 7.287 ± 0.003 Å
• b: 10.07 ± 0.005 Å
• c: 17.646 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1294.9 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes