Information card for entry 4311725

Structure parameters

• Formula: C36 H32 Cl2 Mn N6 O10.5
• Calculated formula: C36 H31 Cl2 Mn N6 O10.5
• 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: 24.775 ± 0.002 Å
• b: 13.8968 ± 0.0009 Å
• c: 22.0113 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7578.3 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No