Information card for entry 7036059

Structure parameters

• Formula: C15 H12 Cl Cu N5 O7
• Calculated formula: C15 H12 Cl Cu N5 O7
• SMILES: c1cccc2c3cc(Cl)cc4[n]3[Cu]([n]12)(ON(=O)=O)([OH2])([n]1ccccc41)ON(=O)=O
• 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: 8.684 ± 0.002 Å
• b: 19.023 ± 0.005 Å
• c: 10.487 ± 0.003 Å
• α: 90°
• β: 96.817 ± 0.003°
• γ: 90°
• Cell volume: 1720.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No