Information card for entry 4344382

Structure parameters

• Formula: C38 H35 Cl2 Mn2 N5 O16
• Calculated formula: C38 H32 Cl2 Mn2 N5 O16
• SMILES: [Mn]123(O[Mn]4([O]=C(O1)c1ccccc1OC)(OC(=[O]3)c1ccccc1OC)([n]1ccccc1c1[n]4cccc1)OCl(=O)(=O)=O)([OH2])[n]1ccccc1c1[n]2cccc1.N#CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Biomimetic Mn-Catalases Based on Dimeric Manganese Complexes in Mesoporous Silica for Potential Antioxidant Agent.
• Authors of publication: Escriche-Tur, Luis; Corbella, Montserrat; Font-Bardia, Mercè; Castro, Isabel; Bonneviot, Laurent; Albela, Belén
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10111 - 10125
• a: 17.826 ± 0.007 Å
• b: 21.265 ± 0.007 Å
• c: 10.759 ± 0.004 Å
• α: 90°
• β: 95.717 ± 0.014°
• γ: 90°
• Cell volume: 4058 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No