Information card for entry 4517342

Structure parameters

• Formula: C17 H11 Br Cl Cu N3 O5
• Calculated formula: C17 H11 Br Cl 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: 9.501 ± 0.0006 Å
• b: 12.0141 ± 0.0007 Å
• c: 16.0425 ± 0.0009 Å
• α: 90°
• β: 104.212 ± 0.002°
• γ: 90°
• Cell volume: 1775.14 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No