Information card for entry 2212227

Structure parameters

• Common name: copper oxalate trihydrate
• Chemical name: Poly[diaqua-μ-oxalato-copper(II) monohydrate]
• Formula: C2 H6 Cu O7
• Calculated formula: C2 H6 Cu O7
• SMILES: [Cu]12([OH2])([OH2])([O]=C3C(O1)=[O][Cu](O3)([OH2])[OH2])OC(=O)C(=O)O2.O.O
• Title of publication: Poly[diaqua-μ-oxalato-copper(II) monohydrate]
• Authors of publication: Wu, Wen-Yuan; Zhai, Li-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m429 - m430
• a: 9.76 ± 0.002 Å
• b: 6.6015 ± 0.0016 Å
• c: 10.5 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 676.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.62
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes