Information card for entry 1563795

Structure parameters

• Formula: C16 H25 Cu N3 O8
• Calculated formula: C16 H25 Cu N3 O8
• SMILES: [Cu]123([n]4c(c5[n]1ccc(c5)C)cc(cc4)C)OC(=O)C[NH]3CC(=O)O2.O.O.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: 8.0498 ± 0.0011 Å
• b: 10.8189 ± 0.0017 Å
• c: 12.5674 ± 0.0014 Å
• α: 67.215 ± 0.007°
• β: 88.141 ± 0.005°
• γ: 84.128 ± 0.008°
• Cell volume: 1003.8 ± 0.2 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: 0.0513
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No