Information card for entry 4517346

Structure parameters

• Formula: C17 H13 Cu N3 O5
• Calculated formula: C17 H13 Cu N3 O5
• SMILES: c1cccc2c3cccc[n]3[Cu]3([n]12)(Oc1ccccc1C=[O]3)ON(=O)=O
• 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: 8.3749 ± 0.0004 Å
• b: 9.8223 ± 0.0005 Å
• c: 10.502 ± 0.0005 Å
• α: 97.603 ± 0.002°
• β: 112.314 ± 0.002°
• γ: 96.478 ± 0.002°
• Cell volume: 779.56 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No