Information card for entry 4126958

Structure parameters

• Formula: C42 H54 Cl Mn N2 O3
• Calculated formula: C42 H54 Cl Mn N2 O3
• Title of publication: Electrocatalytic Reduction of Dioxygen to Hydrogen Peroxide by a Molecular Manganese Complex with a Bipyridine-Containing Schiff Base Ligand.
• Authors of publication: Hooe, Shelby; Rheingold, Arnold L.; Machan, Charles W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.4021 ± 0.0017 Å
• b: 12.198 ± 0.003 Å
• c: 16.984 ± 0.004 Å
• α: 73.599 ± 0.008°
• β: 80.485 ± 0.011°
• γ: 88.031 ± 0.008°
• Cell volume: 1842.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0673
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No