Information card for entry 1563793

Structure parameters

• Formula: C16 H16 Cu N4 O8
• Calculated formula: C16 H16 Cu N4 O8
• SMILES: [Cu]123(OC(=O)C[NH]3CC(=O)O1)[n]1cccc3cc(N(=O)=O)c4ccc[n]2c4c13.O.O
• Title of publication: Development of copper(II)-diimine-iminodiacetate mixed ligand complexes as potential antitumor agents
• Authors of publication: Alvarez, Natalia; Mendes, Luis F.S.; Kramer, M. Gabriela; Torre, María H.; Costa-Filho, Antonio J.; Ellena, Javier; Facchin, Gianella
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 61 - 70
• a: 6.8648 ± 0.0002 Å
• b: 10.3356 ± 0.0003 Å
• c: 11.782 ± 0.0003 Å
• α: 92.323 ± 0.001°
• β: 91.115 ± 0.001°
• γ: 93.777 ± 0.001°
• Cell volume: 833.25 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0425
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No