Information card for entry 2241944

Structure parameters

• Common name: (N H4)2 [Cu (C2 O4)2]
• Chemical name: <i>catena</i>-Poly[diammonium [di-μ-oxalato-cuprate(II)]]
• Formula: C4 H8 Cu N2 O8
• Calculated formula: C4 H8 Cu N2 O8
• SMILES: C1(=O)C(=O)O[Cu]2(O1)OC(=O)C(=O)O2.[NH4+].[NH4+]
• Title of publication: Crystal structure of <i>catena</i>-poly[diammonium [di-μ-oxalato-cuprate(II)]]
• Authors of publication: Dickie, Diane A.; Kemp, Richard A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1780 - 1782
• a: 4.8564 ± 0.0002 Å
• b: 13.5188 ± 0.0005 Å
• c: 6.7205 ± 0.0003 Å
• α: 90°
• β: 96.992 ± 0.002°
• γ: 90°
• Cell volume: 437.94 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes