Information card for entry 4349065

Structure parameters

• Formula: C19 H17 Cl Cu N6 O3
• Calculated formula: C19 H17 Cl Cu N6 O3
• SMILES: [Cu]123(Cl)[n]4c[nH]cc4C[C@H](N1C(=O)c1[n]2c2c4[n]3cccc4ccc2cc1)C(=O)N.O
• Title of publication: Copper(II) Complexes of Phenanthroline and Histidine Containing Ligands: Synthesis, Characterization and Evaluation of their DNA Cleavage and Cytotoxic Activity.
• Authors of publication: Leite, Sílvia M G; Lima, Luís M P; Gama, Sofia; Mendes, Filipa; Orio, Maylis; Bento, Isabel; Paulo, António; Delgado, Rita; Iranzo, Olga
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11801 - 11814
• a: 7.5587 ± 0.0005 Å
• b: 10.947 ± 0.0007 Å
• c: 23.1518 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1915.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No