Information card for entry 7025377

Structure parameters

• Formula: C36 H52 Co N2 O10
• Calculated formula: C36 H52 Co N2 O10
• SMILES: C(=O)(c1ccccc1Nc1cccc(c1C)C)O[Co]([OH]C)(OC(=O)c1ccccc1Nc1cccc(c1C)C)([OH]C)([OH]C)[OH]C.CO.CO
• Title of publication: Biological evaluation of non-steroidal anti-inflammatory drugs-cobalt(II) complexes.
• Authors of publication: Dimiza, Filitsa; Papadopoulos, Athanasios N.; Tangoulis, Vassilis; Psycharis, Vassilis; Raptopoulou, Catherine P.; Kessissoglou, Dimitris P.; Psomas, George
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 19
• Pages of publication: 4517 - 4528
• a: 7.6602 ± 0.0001 Å
• b: 7.8887 ± 0.0001 Å
• c: 15.7633 ± 0.0003 Å
• α: 90.279 ± 0.001°
• β: 99.294 ± 0.001°
• γ: 92.769 ± 0.001°
• Cell volume: 938.88 ± 0.02 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No