Information card for entry 2209031

Structure parameters

• Chemical name: Octaammonium diaquahexa-μ~2~-oxalato-dioxalatotetracopper(II) tetrahydrate
• Formula: C8 H22 Cu2 N4 O19
• Calculated formula: C8 H22 Cu2 N4 O19
• SMILES: C1(=O)C(=O)O[Cu]2(O1)OC(=O)C(=O)O2.C1(=O)O[Cu]2(OC(=O)C(=O)O2)(OC1=O)[OH2].[NH4+].[NH4+].[NH4+].[NH4+].O.O
• Title of publication: Octaammonium diaquahexa-μ~2~-oxalato-dioxalatotetracopper(II) tetrahydrate
• Authors of publication: Kadir, Karim; Mohammad Ahmed, Trifa; Noreús, Dag; Eriksson, Lars
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1139 - m1141
• a: 11.1364 ± 0.0006 Å
• b: 11.2806 ± 0.0006 Å
• c: 17.147 ± 0.0012 Å
• α: 90°
• β: 106.235 ± 0.005°
• γ: 90°
• Cell volume: 2068.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No