Information card for entry 4349066

Structure parameters

• Formula: C19 H17 Cl Cu N5 Na0.25 O5
• Calculated formula: C19 H17 Cl Cu N5 Na0.25 O5
• SMILES: c1[n]2c(c[nH]1)C[C@H](N1C(c3[n]4c5c6[n](cccc6ccc5cc3)[Cu]214Cl)=O)C(=O)[O-].O.O.[Na+]
• 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: 7.0381 ± 0.0005 Å
• b: 10.7231 ± 0.0008 Å
• c: 26.0409 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1965.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No