Information card for entry 7036060

Structure parameters

• Formula: C27 H25 Cu N5 O9
• Calculated formula: C27 H25 Cu N5 O9
• SMILES: [Cu]12(ON(=O)=O)([OH2])[n]3ccccc3c3[n]1c(cc(OCc1cc4ccccc4cc1)c3)c1[n]2cccc1.N(=O)(=O)[O-].OC
• Title of publication: The effect of potential supramolecular-bond promoters on the DNA-interacting abilities of copper-terpyridine compounds.
• Authors of publication: Grau, Jordi; Brissos, Rosa F.; Salinas-Uber, Jorge; Caballero, Ana B.; Caubet, Amparo; Roubeau, Olivier; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 16061 - 16072
• a: 7.2118 ± 0.0009 Å
• b: 19.471 ± 0.002 Å
• c: 37.885 ± 0.005 Å
• α: 90°
• β: 91.302 ± 0.002°
• γ: 90°
• Cell volume: 5318.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No