Information card for entry 7025376

Structure parameters

• Formula: C42 H44 Co N4 O6
• Calculated formula: C42 H44 Co N4 O6
• SMILES: C(=O)(c1ccccc1Nc1c(C)c(C)ccc1)O[Co]1(OC(=O)c2ccccc2Nc2cccc(c2C)C)([n]2c(c3cccc[n]13)cccc2)([OH]C)[OH]C
• 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: 7.2187 ± 0.0001 Å
• b: 17.6361 ± 0.0003 Å
• c: 29.606 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3769.13 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I c 2 a
• Hall space group symbol: I -2b -2b
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0818
• 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