Information card for entry 2014956

Structure parameters

• Common name: trans-μ-Oxamido-N,N'-diethanoato-bis[diaquacopper(II)] dihydrate
• Chemical name: trans-{μ-2,2'-[(1,2-dioxoethane-1,2- diyl)diimino]diethanoato}bis[diaquacopper(II)] dihydrate
• Formula: C6 H16 Cu2 N2 O12
• Calculated formula: C6 H16 Cu2 N2 O12
• SMILES: C1(=O)C[N]2=C3C(=[N]4CC(=O)O[Cu]4(O3)([OH2])[OH2])O[Cu]2(O1)([OH2])[OH2].O.O
• Title of publication: <i>trans</i>-μ-Oxamido-<i>N</i>,<i>N</i>'-diethanoato-bis[diaquacopper(II)] dihydrate
• Authors of publication: Jian-Fang Lou; Yan-Tuan Li; Zhi-Yong Wu; Da-Qi Wang; Jian-Min Dou
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m400 - m402
• a: 6.87 ± 0.006 Å
• b: 7.283 ± 0.007 Å
• c: 7.929 ± 0.007 Å
• α: 73.693 ± 0.014°
• β: 87.795 ± 0.014°
• γ: 67.342 ± 0.014°
• Cell volume: 350.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0263
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes