Information card for entry 7034808

Structure parameters

• Formula: C23 H23 Cu N3 O6
• Calculated formula: C23 H23 Cu N3 O6
• SMILES: [Cu]123(OC(=O)C[N]3(CC(=O)O1)Cc1ccccc1)[n]1cccc3c1c1[n]2cccc1cc3.O.O
• Title of publication: Mixed ligand copper(ii) dicarboxylate complexes: the role of co-ligand hydrophobicity in DNA binding, double-strand DNA cleavage, protein binding and cytotoxicity.
• Authors of publication: Loganathan, Rangasamy; Ramakrishnan, Sethu; Ganeshpandian, Mani; Bhuvanesh, Nattamai S. P.; Palaniandavar, Mallayan; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10210 - 10227
• a: 9.873 ± 0.003 Å
• b: 16.336 ± 0.005 Å
• c: 13.048 ± 0.004 Å
• α: 90°
• β: 99.869 ± 0.004°
• γ: 90°
• Cell volume: 2073.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No