Information card for entry 4312646

Structure parameters

• Formula: C10 H13 Cl2 Cu N5
• Calculated formula: C10 H13 Cl2 Cu N5
• SMILES: [Cu]12(Cl)(Cl)[n]3c[nH]cc3CC[N]1=Cc1[n]2cc[n]1C
• Title of publication: Phosphate Diester Hydrolysis and DNA Damage Promoted by New cis-Aqua/Hydroxy Copper(II) Complexes Containing Tridentate Imidazole-rich Ligands
• Authors of publication: Marciela Scarpellini; Ademir Neves; Rosmari Hörner; Adailton J. Bortoluzzi; Bruno Szpoganics; César Zucco; René A. Nome Silva; Valderes Drago; Antônio S. Mangrich; Wilson A. Ortiz; Wagner A. C. Passos; Maurício C. B. de Oliveira; Hernán Terenzi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8353 - 8365
• a: 8.169 ± 0.002 Å
• b: 11.857 ± 0.002 Å
• c: 14.069 ± 0.003 Å
• α: 99.17 ± 0.03°
• β: 95.57 ± 0.03°
• γ: 93.19 ± 0.03°
• Cell volume: 1335.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No