Information card for entry 7701176

Structure parameters

• Common name: [CuL30dBr]
• Formula: C12 H12 Br Cu N3 O2
• Calculated formula: C12 H12 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: 7.6905 ± 0.0004 Å
• b: 24.3476 ± 0.0014 Å
• c: 7.7833 ± 0.0004 Å
• α: 90°
• β: 113.207 ± 0.004°
• γ: 90°
• Cell volume: 1339.46 ± 0.13 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No