Information card for entry 1517347

Structure parameters

• Formula: C25 H34 Cl2 Cu2 N6 O12
• Calculated formula: C25 H34 Cl2 Cu2 N6 O12
• SMILES: [Cu]1234[n]5c(N[N]3=Cc3c6[O]2[Cu]21([n]1c(N[N]2=Cc6cc(c3)C(C)(C)C)cccc1)[O]4C)cccc5.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CO.CO
• Title of publication: Highly cytotoxic DNA-interacting copper(ii) coordination compounds.
• Authors of publication: Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 1853 - 1868
• a: 11.893 ± 0.009 Å
• b: 21.582 ± 0.009 Å
• c: 12.732 ± 0.005 Å
• α: 90°
• β: 92.466 ± 0.009°
• γ: 90°
• Cell volume: 3265 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.17
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No