Information card for entry 4312603

Structure parameters

• Formula: C38 H48.2 Mn2 N4 O8.1
• Calculated formula: C38 H48 Mn2 N4 O8.1
• Title of publication: Catalytic Asymmetric Sulfoxidation by Chiral Manganese Complexes: Acetylacetonate Anions as Chirality Switches
• Authors of publication: Sébastien Schoumacker; Olivier Hamelin; Jacques Pécaut; Marc Fontecave
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8110 - 8116
• a: 13.0351 ± 0.0008 Å
• b: 15.9046 ± 0.0009 Å
• c: 20.3881 ± 0.0012 Å
• α: 90°
• β: 104.217 ± 0.001°
• γ: 90°
• Cell volume: 4097.4 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No