Information card for entry 7016521

Structure parameters

• Formula: C40 H36 Cu N4 O4
• Calculated formula: C40 H36 Cu N4 O4
• SMILES: [Cu]12([O]=C(O1)c1ccccc1Nc1cccc(c1C)C)(OC(=O)c1ccccc1Nc1cccc(c1C)C)[n]1ccccc1c1[n]2cccc1
• Title of publication: Non-steroidal antiinflammatory drug-copper(ii) complexes: Structure and biological perspectives.
• Authors of publication: Dimiza, Filitsa; Fountoulaki, Stella; Papadopoulos, Athanasios N.; Kontogiorgis, Christos A.; Tangoulis, Vassilis; Raptopoulou, Catherine P.; Psycharis, Vassilis; Terzis, Aris; Kessissoglou, Dimitris P.; Psomas, George
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 34
• Pages of publication: 8555 - 8568
• a: 7.6941 ± 0.0001 Å
• b: 26.6993 ± 0.0005 Å
• c: 16.908 ± 0.0003 Å
• α: 90 ± 0.001°
• β: 97.756 ± 0.001°
• γ: 90°
• Cell volume: 3441.59 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No