Information card for entry 1517346

Structure parameters

• Formula: C20 H20 Cu N4 O4
• Calculated formula: C20 H20 Cu N4 O4
• SMILES: [Cu]12([N](Nc3[n]2c2ccccc2cc3)=Cc2cccc(c2O1)C(C)(C)C)ON(=O)=O
• 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: 17.2957 ± 0.0012 Å
• b: 6.6675 ± 0.0005 Å
• c: 18.3318 ± 0.0009 Å
• α: 90°
• β: 119.727 ± 0.005°
• γ: 90°
• Cell volume: 1835.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No