Information card for entry 7032629

Structure parameters

• Formula: C20 H36 Mn2 N2 O18 S2
• Calculated formula: C20 H20 Mn2 N2 O18 S2
• Title of publication: Synthesis, characterization, and reactivity studies of a water-soluble bis(alkoxo)(carboxylato)-bridged diMn(III) complex modeling the active site in catalase.
• Authors of publication: Palopoli, Claudia; Duhayon, Carine; Tuchagues, Jean-Pierre; Signorella, Sandra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17145 - 17155
• a: 8.16 ± 0.005 Å
• b: 21.76 ± 0.005 Å
• c: 17.609 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3127 ± 2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No