Information card for entry 2212462

Structure parameters

• Chemical name: Aquabis(dichloroacetato-κO)bis(nicotinamide-κN)copper(II)
• Formula: C16 H16 Cl4 Cu N4 O7
• Calculated formula: C16 H16 Cl4 Cu N4 O7
• SMILES: c1c(ccc[n]1[Cu](OC(=O)C(Cl)Cl)([OH2])([n]1cc(ccc1)C(=O)N)OC(=O)C(Cl)Cl)C(=O)N
• Title of publication: Aquabis(dichloroacetato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>)copper(II)
• Authors of publication: Moncol, Jan; Maroszová, Jaroslava; Múdra, Marcela; Lis, Tadeusz; Koman, Marian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m743 - m745
• a: 14.145 ± 0.003 Å
• b: 14.145 ± 0.003 Å
• c: 11.165 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2233.9 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes