Information card for entry 4105926

Structure parameters

• Formula: C27.5 H47.5 K Mn N7 O4.5
• Calculated formula: C26.25 H45.25 K Mn N7 O4.5
• Title of publication: Catalytic Reduction of Dioxygen to Water with a Monomeric Manganese Complex at Room Temperature
• Authors of publication: Ryan L. Shook; Sonja M. Peterson; John Greaves; Curtis Moore; Arnold L. Rheingold; A. S. Borovik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5810 - 5817
• a: 15.687 ± 0.004 Å
• b: 20.31 ± 0.005 Å
• c: 25.983 ± 0.007 Å
• α: 95.152 ± 0.004°
• β: 92.776 ± 0.004°
• γ: 106.6 ± 0.004°
• Cell volume: 7877 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1318
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.258
• Weighted residual factors for all reflections included in the refinement: 0.2771
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No