Information card for entry 2006874

Structure parameters

• Chemical name: Sodium bis(malonato)cuprate(II) dihydrate
• Formula: C6 H8 Cu Na2 O10
• Calculated formula: C6 H8 Cu Na2 O10
• SMILES: O.[Cu]12(OC(=O)CC(=O)O1)OC(=O)CC(=O)O2.[Na+].O.[Na+]
• Title of publication: Disodium Bis(malonato)cuprate(II) Dihydrate
• Authors of publication: Barnes, John C.; Weakley, Timothy J.R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: IUC9700026
• a: 6.814 ± 0.001 Å
• b: 9.497 ± 0.002 Å
• c: 16.374 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1059.6 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No