Information card for entry 7230602

Structure parameters

• Formula: C28 H28 Cu N2 O9
• Calculated formula: C28 H28 Cu N2 O9
• Title of publication: A vanillin-based copper(ii) metal complex with a DNA-mediated apoptotic activity
• Authors of publication: de Medeiros, Wendy M. T. Q.; de Medeiros, Mayara J. C.; Carvalho, Edinilton M.; de Lima, Jailma A.; da S. Oliveira, Verônica; de B. Pontes, Ana C. F.; da Silva, Francisco O. N.; Ellena, Javier A.; de O. Rocha, Hugo A.; de Sousa, Eduardo H. S.; de L. Pontes, Daniel
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 30
• Pages of publication: 16873
• a: 12.82 ± 0.0016 Å
• b: 14.912 ± 0.0016 Å
• c: 15.115 ± 0.0012 Å
• α: 104.639 ± 0.006°
• β: 92.409 ± 0.006°
• γ: 103.251 ± 0.006°
• Cell volume: 2706 ± 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: 0.1324
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No