Information card for entry 7007701

Structure parameters

• Formula: C25 H35 Br Mn2 N2 O8
• Calculated formula: C25 H35 Br Mn2 N2 O8
• SMILES: C[O]1[Mn]234([N](CCC5CC[N]6=Cc7cc(C)ccc7O[Mn]16([O]25)([O]=C(C)O3)Br)=Cc1cc(C)ccc1O4)[OH2].CO
• Title of publication: Synthesis, structure and catalase-like activity of dimanganese(III) complexes of 1,5-bis(X-salicylidenamino)pentan-3-ol (X = 3- and 5-methyl). Influence of phenyl-ring substituents on catalytic activity.
• Authors of publication: Moreno, Diego; Palopoli, Claudia; Daier, Verónica; Shova, Sergiu; Vendier, Laure; Sierra, Manuel González; Tuchagues, Jean-Pierre; Signorella, Sandra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 43
• Pages of publication: 5156 - 5166
• a: 30.521 ± 0.006 Å
• b: 24.201 ± 0.005 Å
• c: 7.804 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5764 ± 2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 32
• Hermann-Mauguin space group symbol: P b a 2
• Hall space group symbol: P 2 -2ab
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No