Information card for entry 2203112

Structure parameters

• Formula: C6 H12 K2 Ni O12
• Calculated formula: C6 H12 K2 Ni O12
• SMILES: C1(=O)CC(=O)O[Ni]2(O1)([OH2])([OH2])OC(=O)CC(=O)O2.[K+].O.[K+].O
• Title of publication: Dipotassium diaquabis(malonato-κ^2^<i>O,O</i>')nickelate(II) dihydrate
• Authors of publication: Xunwen Xiao; Wei Xu; Yan Li; Bin Zhang; Daoben Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m48 - m49
• a: 9.3973 ± 0.0005 Å
• b: 10.876 ± 0.0005 Å
• c: 7.6283 ± 0.0004 Å
• α: 90°
• β: 115.026 ± 0.002°
• γ: 90°
• Cell volume: 706.45 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes