Information card for entry 4517343

Structure parameters

• Formula: C17 H11 Cl2 Cu N3 O5
• Calculated formula: C17 H11 Cl2 Cu N3 O5
• 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: 9.0204 ± 0.0003 Å
• b: 12.282 ± 0.0004 Å
• c: 16.5426 ± 0.0006 Å
• α: 90°
• β: 103.404 ± 0.003°
• γ: 90°
• Cell volume: 1782.81 ± 0.11 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0782
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No