Information card for entry 4510480

Structure parameters

• Chemical name: (2S,2'S)-1,1'-bis((4-amino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)
• Formula: C26 H36 F6 Mn N6 O6 S2
• Calculated formula: C25.5 H32 F4.5 Mn N6 O5 S2
• Title of publication: Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts
• Authors of publication: Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.
• Journal of publication: ACS Catalysis
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 1599
• a: 32.4626 ± 0.0012 Å
• b: 32.4626 ± 0.0012 Å
• c: 32.4626 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 34210 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.1646
• Residual factor for significantly intense reflections: 0.1464
• Weighted residual factors for significantly intense reflections: 0.3904
• Weighted residual factors for all reflections included in the refinement: 0.4224
• Goodness-of-fit parameter for all reflections included in the refinement: 2.157
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No