Information card for entry 7701182

Structure parameters

• Common name: [CuL40dBr]
• Formula: C13 H14 Br Cu N3 O2
• Calculated formula: C13 H14 Br Cu N3 O2
• Title of publication: Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.
• Authors of publication: Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 15220 - 15230
• a: 7.5494 ± 0.0002 Å
• b: 8.2358 ± 0.0003 Å
• c: 12.3671 ± 0.0004 Å
• α: 107 ± 0.003°
• β: 96.398 ± 0.003°
• γ: 102.191 ± 0.003°
• Cell volume: 706.31 ± 0.04 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0659
• 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