Information card for entry 4311722

Structure parameters

• Formula: C28 H33.8 Cl4 Mn2 N6 O16.9
• Calculated formula: C28 H26 Cl4 Mn2 N6 O16.9
• 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: 10.779 ± 0.002 Å
• b: 12.499 ± 0.002 Å
• c: 16.749 ± 0.003 Å
• α: 82.28 ± 0.02°
• β: 78.4 ± 0.02°
• γ: 86.32 ± 0.02°
• Cell volume: 2188.8 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No