Information card for entry 4513797

Structure parameters

• Chemical name: N1,N2-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N1,N2-dimethylethane-1,2-diamine manganese(II) bis(trifluoromethanesulfonate)
• Formula: C24 H34 F6 Mn N4 O8 S2
• Calculated formula: C24 H34 F6 Mn N4 O8 S2
• Title of publication: Enantioselective Epoxidations of Olefins with Various Oxidants on Bioinspired Mn Complexes: Evidence for Different Mechanisms and Chiral Additive Amplification
• Authors of publication: Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 979
• a: 18.0992 ± 0.0004 Å
• b: 9.65395 ± 0.00015 Å
• c: 19.7948 ± 0.0004 Å
• α: 90°
• β: 110.024 ± 0.002°
• γ: 90°
• Cell volume: 3249.64 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No