Information card for entry 1563797

Structure parameters

• Formula: C18 H21 Cu N3 O6
• Calculated formula: C18 H21 Cu N3 O6
• SMILES: [Cu]123([n]4c(ccc5ccc6ccc([n]1c6c45)C)C)OC(=O)C[NH]3CC(=O)O2.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: 7.1232 ± 0.0003 Å
• b: 26.6199 ± 0.0011 Å
• c: 10.5627 ± 0.0005 Å
• α: 90°
• β: 108.544 ± 0.002°
• γ: 90°
• Cell volume: 1898.9 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No