Information card for entry 2211277

Structure parameters

• Chemical name: N,N'-Bis(2-ammonioethyl)oxamide diaquabis(oxalato-κ^2^O,O')copper(II) dihydrate
• Formula: C10 H24 Cu N4 O14
• Calculated formula: C10 H24 Cu N4 O14
• SMILES: C(CNC(=O)C(=O)NCC[NH3+])[NH3+].[Cu]12(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)([OH2])[OH2].O.O
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)oxamide diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')cuprate(II) dihydrate
• Authors of publication: Chun-Yuan Zhu; Yan-Tuan Li; Zhi-Yong Wu; Wei Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3585 - m3587
• a: 6.7889 ± 0.0014 Å
• b: 7.5799 ± 0.0015 Å
• c: 10.255 ± 0.002 Å
• α: 72.49 ± 0.03°
• β: 83.48 ± 0.03°
• γ: 70.51 ± 0.03°
• Cell volume: 474.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes