Information card for entry 2210953

Structure parameters

• Chemical name: Trisodium diaquabis(malonato-κ^2^O,O')nickel(II) chloride hexahydrate
• Formula: C6 H20 Cl Na3 Ni O16
• Calculated formula: C6 H20 Cl Na3 Ni O16
• SMILES: C1(=O)CC(=O)O[Ni]2(O1)([OH2])([OH2])OC(=O)CC(=O)O2.[Cl-].[Na+].[Na+].[Na+].O.O.O.O.O.O
• Title of publication: Trisodium diaquabis(malonato-κ^2^<i>O</i>,<i>O</i>')nickelate(II) chloride hexahydrate
• Authors of publication: Li, Bao; Ye, Ling; Yang, Guang-Di; Wu, Li-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3155 - m3157
• a: 7.053 ± 0.003 Å
• b: 9.615 ± 0.005 Å
• c: 14.624 ± 0.01 Å
• α: 93.51 ± 0.03°
• β: 92.75 ± 0.03°
• γ: 110.19 ± 0.02°
• Cell volume: 926.5 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes