Information card for entry 4348419

Structure parameters

• Formula: C44 H40 Cu N6 O2
• Calculated formula: C44 H40 Cu N6 O2
• SMILES: c1ccccc1C1O[Cu]2([N](=C(N=1)NCc1ccccc1)c1ccc(cc1)C)[N](=C(N=C(c1ccccc1)O2)NCc1ccccc1)c1ccc(cc1)C
• Title of publication: DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands
• Authors of publication: Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 780
• a: 6.125 ± 0.0008 Å
• b: 11.514 ± 0.0014 Å
• c: 13.2365 ± 0.0016 Å
• α: 81.52 ± 0.002°
• β: 87.731 ± 0.002°
• γ: 85.984 ± 0.002°
• Cell volume: 920.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0266
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No