Information card for entry 7701179

Structure parameters

• Common name: [CuL30iBr]
• Formula: C24 H26 Br2 Cu2 N4 O6
• Calculated formula: C24 H26 Br2 Cu2 N4 O6
• SMILES: c1cccc2C[N]3=CC(=C(C)O[Cu]3([n]12)Br)C(=O)OC
• 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: 8.0566 ± 0.0004 Å
• b: 8.4259 ± 0.0004 Å
• c: 11.1094 ± 0.0005 Å
• α: 75.675 ± 0.004°
• β: 86.846 ± 0.004°
• γ: 68.045 ± 0.004°
• Cell volume: 677.12 ± 0.06 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: 0.0332
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No