Information card for entry 7101572

Structure parameters

• Common name: Mn(Salen)
• Formula: C24 H31 Mn N4 O9
• Calculated formula: C24 H30 Mn N4 O9
• SMILES: [C@@H]12[C@@H](CC(C1)NC(=O)N)[N]1=Cc3c(c(ccc3)OC)O[Mn]31([N]2=Cc1c(c(ccc1)OC)O3)(O)[OH2].C(=O)(C)[O-].[C@H]12[C@H](CC(C1)NC(=O)N)[N]1=Cc3c(c(ccc3)OC)O[Mn]31([N]2=Cc1c(c(ccc1)OC)O3)(O)[OH2].C(=O)(C)[O-]
• Title of publication: Enhanced catalase-like activity of manganese salen complexes in water: effect of a three-dimensionally fixed auxiliary
• Authors of publication: Y.Watanabe; A.Namba; N.Umezawa; M.Kawahata; K.Yamaguchi; T.Higuchi
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 47
• a: 13.8291 ± 0.0011 Å
• b: 9.3189 ± 0.0008 Å
• c: 21.4664 ± 0.0018 Å
• α: 90°
• β: 108.22 ± 0.001°
• γ: 90°
• Cell volume: 2627.7 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.253
• Weighted residual factors for all reflections included in the refinement: 0.2742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\/Ya
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No