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Information card for entry 7016521
Preview
Coordinates | 7016521.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H36 Cu N4 O4 |
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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 Å3 |
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 |
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