Information card for entry 7030977

Structure parameters

• Formula: C42 H44 Mn N4 O6
• Calculated formula: C42 H44 Mn N4 O6
• SMILES: C(=O)(c1c(Nc2c(C)c(C)ccc2)cccc1)O[Mn]1([n]2c(c3cccc[n]13)cccc2)([OH]C)([OH]C)OC(=O)c1c(Nc2c(c(ccc2)C)C)cccc1
• Title of publication: Manganese-mefenamic acid complexes exhibit high lipoxygenase inhibitory activity.
• Authors of publication: Feng, Jie; Du, Xin; Liu, Hui; Sui, Xin; Zhang, Chen; Tang, Yun; Zhang, Jingyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10930 - 10939
• a: 7.4254 ± 0.0004 Å
• b: 29.56 ± 0.002 Å
• c: 17.5819 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3859.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No