Information card for entry 7123621

Structure parameters

• Formula: C32 H47 Mn N2 O7.5
• Calculated formula: C32 H45 Mn N2 O7.5
• Title of publication: An Effective cis-β-Octahedral Mn(III) SALPN Catalyst for the Mukaiyama-Isayama Hydration of α,β-Unsaturated Esters
• Authors of publication: Rizzacasa, Mark A.; Donnelly, Paul Stephen; North, Andrea J.; Radjah, Natalia Caren; Ricca, Michael; Robertson, Angus Michael; White, Jonathan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.261 ± 0.0016 Å
• b: 10.8556 ± 0.0015 Å
• c: 14.6929 ± 0.0015 Å
• α: 81.588 ± 0.01°
• β: 85.042 ± 0.01°
• γ: 85.486 ± 0.012°
• Cell volume: 1609.3 ± 0.4 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No