Information card for entry 4517348

Structure parameters

• Formula: C19 H13 Cu N3 O5
• Calculated formula: C19 H13 Cu N3 O5
• SMILES: [Cu]12([O]=Cc3c(O1)cccc3)(ON(=O)=O)[n]1c3c4[n]2cccc4ccc3ccc1
• Title of publication: Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.
• Authors of publication: Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier
• Journal of publication: ACS combinatorial science
• Year of publication: 2020
• a: 8.8193 ± 0.0002 Å
• b: 8.9176 ± 0.0002 Å
• c: 11.4613 ± 0.0002 Å
• α: 94.706 ± 0.002°
• β: 111.477 ± 0.002°
• γ: 95.805 ± 0.002°
• Cell volume: 827.58 ± 0.03 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 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: 0.0266
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No