Information card for entry 2204645

Structure parameters

• Chemical name: Diaquabis(pyridine-2-carboxamide-κ^2^N^1^,O^2^)copper(II) squarate
• Formula: C16 H16 Cu N4 O8
• Calculated formula: C16 H16 Cu N4 O8
• SMILES: C1(c2cccc[n]2[Cu]2([OH2])([OH2])([O]=1)[n]1c(C(N)=[O]2)cccc1)N.C1(=O)C(=O)C([O-])=C1[O-]
• Title of publication: Diaquabis(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>^2^)copper(II) squarate
• Authors of publication: Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Ölmez, Halİs; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1945 - m1948
• a: 7.124 ± 0.0009 Å
• b: 7.7627 ± 0.0009 Å
• c: 8.1191 ± 0.0009 Å
• α: 108.15 ± 0.009°
• β: 92.225 ± 0.01°
• γ: 94.531 ± 0.01°
• Cell volume: 424.37 ± 0.09 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: 0.0295
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes