Information card for entry 4311724

Structure parameters

• Formula: C40 H34 Mn2 N12 O13
• Calculated formula: C40 H32 Mn2 N12 O13
• SMILES: [Mn]12([n]3c(cccc3)c3[n]1cccc3)([n]1c(cccc1)c1[n]2cccc1)(ON(=O)=O)[OH2].[Mn]12([n]3c(cccc3)c3[n]1cccc3)([n]1c(cccc1)c1[n]2cccc1)(ON(=O)=O)ON(=O)=O.N(=O)(=O)[O-]
• Title of publication: A Comparative XAS and X-ray Diffraction Study of New Binuclear Mn(III) Complexes with Catalase Activity. Indirect Effect of the Counteranion on Magnetic Properties
• Authors of publication: Gema Fernández; Montserrat Corbella; Montserrat Alfonso; Helen Stoeckli-Evans; Isabel Castro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6684 - 6698
• a: 14.412 ± 0.012 Å
• b: 17.208 ± 0.018 Å
• c: 34.69 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8603 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1575
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No