Information card for entry 4337556

Structure parameters

• Formula: C26 H25 Cu2 N13 O14
• Calculated formula: C26 H25 Cu2 N13 O14
• SMILES: [Cu]1([OH2])(ON(=O)=O)([n]2[nH]c([n]([Cu]3([OH2])(ON(=O)=O)[n]4cccc5ccc6ccc[n]3c6c45)c2N)N)[n]2cccc3ccc4ccc[n]1c4c23.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Two novel ternary dicopper(II) μ-guanazole complexes with aromatic amines strongly activated by quantum dots for DNA cleavage.
• Authors of publication: Hernández-Gil, Javier; Ferrer, Sacramento; Castiñeiras, Alfonso; Liu-González, Malva; Lloret, Francesc; Ribes, Angela; Coga, Lucija; Bernecker, Anja; Mareque-Rivas, Juan C
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 578 - 593
• a: 10.725 ± 0.005 Å
• b: 12.31 ± 0.005 Å
• c: 14.278 ± 0.005 Å
• α: 103.673 ± 0.005°
• β: 102.037 ± 0.005°
• γ: 108.806 ± 0.005°
• Cell volume: 1648.7 ± 1.2 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: 0.0921
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No