Information card for entry 2203874

Structure parameters

• Formula: C12 H28 Cu N4 O6
• Calculated formula: C12 H28 Cu N4 O6
• SMILES: [Cu]12([NH2]CC[N]1(C)C)([NH2]CC[N]2(C)C)([OH2])[OH2].C1(=O)C(=O)C([O-])=C1[O-]
• Title of publication: Diaquabis(<i>N,N</i>-dimethylethylenediamine-κ^2^<i>N,N</i>')copper(II) squarate
• Authors of publication: Uçar, İbrahim; Yeşilel, Okan Zafer; Bulut, Ahmet; Ölmez, Halis; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m1025 - m1027
• a: 11.3829 ± 0.0009 Å
• b: 11.5359 ± 0.0012 Å
• c: 13.0358 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1711.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No